http://purl.obolibrary.org/obo/ExO_0000002 ECTO describes exposures to experimental treatments of plants and model organisms (e.g. exposures to modification of diet, lighting levels, temperature); exposures of humans or any other organisms to stressors through a variety of routes, for purposes of public health, environmental monitoring etc, stimuli, natural and experimental, any kind of environmental condition or change in condition that can be experienced by an organism or population of organisms on earth. The scope is very general and can include for example plant treatment regimens, as well as human clinical exposures (although these may better be handled by a more specialized ontology). Environment Exposure Ontology 2023-02-14 definition definition textual definition A property representing the English language definitions of what NCI means by the concept. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software. English language definitions of what NCI means by the concept. These are limited to 1024 characters. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software. The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. 2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> DEFINITION definition definition textual definition A property representing the English language definitions of what NCI means by the concept. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software. NCI DEFINITION PT NCI editor note IAO:0000700 uberon has_ontology_root_term true has_ontology_root_term has ontology root term preferred_root term replaced by Add as annotation triples in the granting ontology Use on obsolete terms, relating the term to another term that can be used as a substitute Person:Alan Ruttenberg Person:Alan Ruttenberg term replaced by term replaced by If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL is a defining property chain axiom If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. is a defining property chain axiom where second argument is reflexive medically relevant exposure uberon dc-description true dc-description description uberon dc-title true dc-title title uberon dcterms-license true dcterms-license license subset property subset_property A property representing a reference to an identical or very similar object in another database. Conceptual Entity xRef database_cross_reference xRef A property representing a reference to an identical or very similar object in another database. NCI http://www.geneontology.org/page/ontology-structure A property representing a fully qualified synonym, contains the string, term type, source, and an optional source code if appropriate. Each subfield is deliniated to facilitate interpretation by software. FULL_SYN Synonym with Source Data has exact synonym has_exact_synonym A property representing a fully qualified synonym, contains the string, term type, source, and an optional source code if appropriate. Each subfield is deliniated to facilitate interpretation by software. NCI FULL_SYN PT NCI Synonym with Source Data SY NCI label label label label is part of my brain is part of my body (continuant parthood, two material entities) my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity) this day is part of this year (occurrent parthood) For continuants: C part_of C' if and only if: given any c that instantiates C at a time t, there is some c' such that c' instantiates C' at time t, and c *part_of* c' at t. For processes: P part_of P' if and only if: given any p that instantiates P at a time t, there is some p' such that p' instantiates P' at time t, and p *part_of* p' at t. (Here *part_of* is the instance-level part-relation.) a core relation that holds between a part and its whole Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'. part_of BFO:0000050 experimental_condition_ontology external quality source spatial uberon part_of part_of part of part of part_of http://www.obofoundry.org/ro/#OBO_REL:part_of For continuants: C part_of C' if and only if: given any c that instantiates C at a time t, there is some c' such that c' instantiates C' at time t, and c *part_of* c' at t. For processes: P part_of P' if and only if: given any p that instantiates P at a time t, there is some p' such that p' instantiates P' at time t, and p *part_of* p' at t. (Here *part_of* is the instance-level part-relation.) PMID:15892874 has part my body has part my brain (continuant parthood, two material entities) my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity) this year has part this day (occurrent parthood) Q1 has_part Q2 if and only if: every instance of Q1 is a quality_of an entity that has_quality some Q2. a core relation that holds between a whole and its part Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part BFO:0000051 chebi_ontology external quality source spatial uberon has_part false has_part We use the has_part relation to relate complex qualities to more primitive ones. A complex quality is a collection of qualities. The complex quality cannot exist without the sub-qualities. For example, the quality 'swollen' necessarily comes with the qualities of 'protruding' and 'increased size'. has part has part has_part Q1 has_part Q2 if and only if: every instance of Q1 is a quality_of an entity that has_quality some Q2. PATOC:CJM realized in this disease is realized in this disease course this fragility is realized in this shattering this investigator role is realized in this investigation is realized by realized_in [copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process realized in realizes this disease course realizes this disease this investigation realizes this investigator role this shattering realizes this fragility to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process realizes preceded by X preceded_by Y iff: end(Y) before_or_simultaneous_with start(X) x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. is preceded by preceded_by http://www.obofoundry.org/ro/#OBO_REL:preceded_by BFO:0000062 is preceded by takes place after external uberon preceded_by preceded_by preceded by preceded by preceded_by is preceded by SIO:000249 takes place after Allen:precedes precedes x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. BFO:0000063 external uberon precedes precedes precedes precedes occurs in b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t occurs_in unfolds in unfolds_in Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant occurs in site of [copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant contains process X in left side of Y <=> if Y is subdivided into two left and right portions, X is part of the left portion. BSPO:0000120 spatial uberon in_left_side_of in_left_side_of in left side of https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern X in left side of Y <=> if Y is subdivided into two left and right portions, X is part of the left portion. BSPO:PATO_mtg_2009 X in right side of Y <=> if Y is subdivided into two left and right portions, X is part of the right portion. BSPO:0000121 spatial uberon in_right_side_of in_right_side_of in right side of https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern X in right side of Y <=> if Y is subdivided into two left and right portions, X is part of the right portion. BSPO:PATO_mtg_2009 X in lateral side of Y <=> if X is in left side of Y or X is in right side of Y. X is often, but not always a paired structure BSPO:0000126 spatial uberon in_lateral_side_of in_lateral_side_of in lateral side of https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern X in lateral side of Y <=> if X is in left side of Y or X is in right side of Y. X is often, but not always a paired structure UBERON:cjm A duck swimming in a pond is partially surrounded by air and partially surrounded by water. x partially_surrounded_by y if and only if (1) x is adjacent to y and for the region r that is adjacent to x, r partially overlaps y (2) the shared boundary between x and y occupies a non-trivial proportion of the outermost boundary of x Definition modified from 'surrounded by'. partially_surrounded_by A relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist through the separation or transformation of a part of the old entity, and the new entity inherits a significant portion of the matter belonging to that part of the old entity. derives from part of To be ceded to RO results in proliferation of A relation between a process and a disposition such that the existence of the disposition is caused by the execution of the process. Consider ceding to RO 2018-11-03T20:58:13Z generates has food substance analog A defining ingredient defines what a food is principally categorized as, rather than an ingredient listed by percentage of weight or volume. A food may have more than one defining ingredient. Damion Dooley FoodOn For example, 'bean soup' has a defining ingredient of some 'bean (whole)'. Similarly, spicy chicken wings require a defining ingredient of (usually minute) amounts of chilli. A soup may 'has ingredient' some bean, but that doesn't make it a 'bean soup', i.e. there should be no inference to that category. However, some classes may have that simple ingredient "necessary and sufficient" equivalency. has defining ingredient A relation attaching between a food material and another food material that has been added to it at some point in its history. Damion Dooley FoodOn has ingredient has country of origin hasCountryOfOrigin has_specified_input has_specified_input The inverse property of is_specified_input_of has_specified_input has_specified_output has_specified_output The inverse property of is_specified_output_of has_specified_output inheres in this fragility inheres in this vase this fragility is a characteristic of this vase this red color inheres in this apple this red color is a characteristic of this apple a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence. a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence A dependent inheres in its bearer at all times for which the dependent exists. inheres_in RO:0000052 characteristic_of Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. characteristic of inheres in bearer of this apple is bearer of this red color this vase is bearer of this fragility Inverse of characteristic_of a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist. bearer_of is bearer of RO:0000053 external uberon bearer_of bearer_of has_characteristic bearer of bearer of has characteristic participates in this blood clot participates in this blood coagulation this input material (or this output material) participates in this process this investigator participates in this investigation a relation between a continuant and a process, in which the continuant is somehow involved in the process participates_in RO:0000056 external uberon participates_in participates_in participates in participates in participates_in has participant this blood coagulation has participant this blood clot this investigation has participant this investigator this process has participant this input material (or this output material) a relation between a process and a continuant, in which the continuant is somehow involved in the process Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time. has_participant http://www.obofoundry.org/ro/#OBO_REL:has_participant RO:0000057 external has_participant has_participant has participant has participant has_participant this catalysis function is a function of this enzyme a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists. function_of is function of RO:0000079 function_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. function of this red color is a quality of this apple a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence A quality inheres in its bearer at all times for which the quality exists. is quality of quality_of RO:0000080 quality_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. quality of this investigator role is a role of this person a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists. is role of role_of RO:0000081 role_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. role of this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function) a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists. has_function RO:0000085 has_function has function this apple has quality this red color a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. has_quality RO:0000086 uberon has_quality has_quality has quality has quality this person has role this investigator role (more colloquially: this person has this role of investigator) a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has_role RO:0000087 chebi_ontology has_role false false has_role has role has role a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence RO:0000091 has_disposition has disposition inverse of has disposition RO:0000092 disposition_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. disposition of this cell derives from this parent cell (cell division) this nucleus derives from this parent nucleus (nuclear division) a relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops from'. derives_from This relation is taken from the RO2005 version of RO. It may be obsoleted and replaced by relations with different definitions. See also the 'develops from' family of relations. derives from this parent cell derives into this cell (cell division) this parent nucleus derives into this nucleus (nuclear division) a relation between two distinct material entities, the old entity and the new entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops into'. To avoid making statements about a future that may not come to pass, it is often better to use the backward-looking 'derives from' rather than the forward-looking 'derives into'. derives_into derives into contained in Containment is location not involving parthood, and arises only where some immaterial continuant is involved. Containment obtains in each case between material and immaterial continuants, for instance: lung contained_in thoracic cavity; bladder contained_in pelvic cavity. Hence containment is not a transitive relation. If c part_of c1 at t then we have also, by our definition and by the axioms of mereology applied to spatial regions, c located_in c1 at t. Thus, many examples of instance-level location relations for continuants are in fact cases of instance-level parthood. For material continuants location and parthood coincide. Containment is location not involving parthood, and arises only where some immaterial continuant is involved. To understand this relation, we first define overlap for continuants as follows: c1 overlap c2 at t =def for some c, c part_of c1 at t and c part_of c2 at t. The containment relation on the instance level can then be defined (see definition): Intended meaning: domain: material entity range: spatial region or site (immaterial continuant) contained_in contained in contains contains located in my brain is located in my head this rat is located in this cage a relation between two independent continuants, the target and the location, in which the target is entirely within the location Location as a relation between instances: The primitive instance-level relation c located_in r at t reflects the fact that each continuant is at any given time associated with exactly one spatial region, namely its exact location. Following we can use this relation to define a further instance-level location relation - not between a continuant and the region which it exactly occupies, but rather between one continuant and another. c is located in c1, in this sense, whenever the spatial region occupied by c is part_of the spatial region occupied by c1. Note that this relation comprehends both the relation of exact location between one continuant and another which obtains when r and r1 are identical (for example, when a portion of fluid exactly fills a cavity), as well as those sorts of inexact location relations which obtain, for example, between brain and head or between ovum and uterus Most location relations will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ located_in http://www.obofoundry.org/ro/#OBO_REL:located_in located in located_in This is redundant with the more specific 'independent and not spatial region' constraint. We leave in the redundant axiom for use with reasoners that do not use negation. This is redundant with the more specific 'independent and not spatial region' constraint. We leave in the redundant axiom for use with reasoners that do not use negation. X outer_layer_of Y iff: . X :continuant that bearer_of some PATO:laminar . X part_of Y . exists Z :surface . X has_boundary Z . Z boundary_of Y has_boundary: http://purl.obolibrary.org/obo/RO_0002002 boundary_of: http://purl.obolibrary.org/obo/RO_0002000 David Osumi-Sutherland A relationship that applies between a continuant and its outer, bounding layer. Examples include the relationship between a multicellular organism and its integument, between an animal cell and its plasma membrane, and between a membrane bound organelle and its outer/bounding membrane. bounding layer of A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B. dos 2017-05-24T09:30:46Z RO:0002013 external has_regulatory_component_activity has_regulatory_component_activity has regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B. dos 2017-05-24T09:31:01Z RO:0002014 external has_negative_regulatory_component_activity has_negative_regulatory_component_activity By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. has negative regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B. dos 2017-05-24T09:31:17Z RO:0002015 has_positive_regulatory_component_activity By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. has positive regulatory component activity dos 2017-05-24T09:44:33Z RO:0002017 has_component_activity A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. has component activity w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. dos 2017-05-24T09:49:21Z RO:0002018 has_component_process has component process dos 2017-09-17T13:52:24Z RO:0002022 directly_regulated_by Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. directly regulated by Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. GOC:dos Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. dos 2017-09-17T13:52:38Z RO:0002023 directly_negatively_regulated_by directly negatively regulated by Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. GOC:dos Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. dos 2017-09-17T13:52:47Z RO:0002024 directly_positively_regulated_by directly positively regulated by Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. GOC:dos A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. dos 2017-09-22T14:14:36Z RO:0002025 has_effector_activity This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. has effector activity A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. GOC:dos David Osumi-Sutherland Previously had ID http://purl.obolibrary.org/obo/RO_0002122 in test files in sandpit - but this seems to have been dropped from ro-edit.owl at some point. No re-use under this ID AFAIK, but leaving note here in case we run in to clashes down the line. Official ID now chosen from DOS ID range. during which ends David Osumi-Sutherland RO:0002086 ends_after X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) ends after X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) David Osumi-Sutherland starts_at_end_of A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251]. RO:0002087 directly preceded by is directly preceded by is immediately preceded by starts_at_end_of external uberon immediately_preceded_by immediately_preceded_by X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) immediately preceded by immediately preceded by immediately_preceded_by A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251]. SIO:000251 is immediately preceded by SIO:000251 David Osumi-Sutherland Previously had ID http://purl.obolibrary.org/obo/RO_0002123 in test files in sandpit - but this seems to have been dropped from ro-edit.owl at some point. No re-use under this ID AFAIK, but leaving note here in case we run in to clashes down the line. Official ID now chosen from DOS ID range. during which starts David Osumi-Sutherland ends_at_start_of meets RO:0002090 external immediately_precedes immediately_precedes X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) immediately precedes immediately precedes David Osumi-Sutherland io X starts_during Y iff: (start(Y) before_or_simultaneous_with start(X)) AND (start(X) before_or_simultaneous_with end(Y)) starts during David Osumi-Sutherland o overlaps X ends_during Y iff: ((start(Y) before_or_simultaneous_with end(X)) AND end(X) before_or_simultaneous_with end(Y). ends during x overlaps y if and only if there exists some z such that x has part z and z part of y x overlaps y iff they have some part in common. http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y) RO:0002131 external spatial uberon overlaps overlaps "(forall (x y) (iff (overlaps x y) (exists (z) (and (part of z x) (part of z y)))))" CLIF [] overlaps overlaps true x overlaps y iff they have some part in common. BSPO:cjm X continuous_with Y if and only if X and Y share a fiat boundary. David Osumi-Sutherland connected to The label for this relation was previously connected to. I relabeled this to "continuous with". The standard notion of connectedness does not imply shared boundaries - e.g. Glasgow connected_to Edinburgh via M8; my patella connected_to my femur (via patellar-femoral joint) continuous with FMA:85972 lactation SubClassOf 'only in taxon' some 'Mammalia' x only in taxon y if and only if x is in taxon y, and there is no other organism z such that y!=z a and x is in taxon z. The original intent was to treat this as a macro that expands to 'in taxon' only ?Y - however, this is not necessary if we instead have supplemental axioms that state that each pair of sibling tax have a disjointness axiom using the 'in taxon' property - e.g. 'in taxon' some Eukaryota DisjointWith 'in taxon' some Eubacteria Chris Mungall RO:0002160 uberon only_in_taxon only_in_taxon only in taxon x is in taxon y if an only if y is an organism, and the relationship between x and y is one of: part of (reflexive), developmentally preceded by, derives from, secreted by, expressed. Chris Mungall Jennifer Deegan RO:0002162 uberon in_taxon in_taxon Connects a biological entity to its taxon of origin. in taxon A is spatially_disjoint_from B if and only if they have no parts in common There are two ways to encode this as a shortcut relation. The other possibility to use an annotation assertion between two classes, and expand this to a disjointness axiom. Chris Mungall Note that it would be possible to use the relation to label the relationship between a near infinite number of structures - between the rings of saturn and my left earlobe. The intent is that this is used for parsiomoniously for disambiguation purposes - for example, between siblings in a jointly exhaustive pairwise disjointness hierarchy BFO_0000051 exactly 0 (BFO_0000050 some ?Y) spatially disjoint from https://github.com/obophenotype/uberon/wiki/Part-disjointness-Design-Pattern a 'toe distal phalanx bone' that is connected to a 'toe medial phalanx bone' (an interphalangeal joint *connects* these two bones). a is connected to b if and only if a and b are discrete structure, and there exists some connecting structure c, such that c connects a and b connected to https://github.com/obophenotype/uberon/wiki/Connectivity-Design-Pattern https://github.com/obophenotype/uberon/wiki/Modeling-articulations-Design-Pattern The M8 connects Glasgow and Edinburgh a 'toe distal phalanx bone' that is connected to a 'toe medial phalanx bone' (an interphalangeal joint *connects* these two bones). c connects a if and only if there exist some b such that a and b are similar parts of the same system, and c connects b, specifically, c connects a with b. When one structure connects two others it unites some aspect of the function or role they play within the system. connects connects https://github.com/obophenotype/uberon/wiki/Connectivity-Design-Pattern https://github.com/obophenotype/uberon/wiki/Modeling-articulations-Design-Pattern w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity. For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit. RO:0002180 external uberon has_component has_component has component has component x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y Chris Mungall David Osumi-Sutherland Melissa Haendel Terry Meehan This is the transitive form of the develops from relation develops from develops from develops_from inverse of develops from Chris Mungall David Osumi-Sutherland Terry Meehan develops into Candidate definition: x directly_develops from y if and only if there exists some developmental process (GO:0032502) p such that x and y both participate in p, and x is the output of p and y is the input of p, and a substantial portion of the matter of x comes from y, and the start of x is coincident with or after the end of y. Chris Mungall David Osumi-Sutherland has developmental precursor FBbt TODO - add child relations from DOS directly develops from inverse of directly develops from developmental precursor of directly develops into p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q. process(P1) regulates process(P2) iff: P1 results in the initiation or termination of P2 OR affects the frequency of its initiation or termination OR affects the magnitude or rate of output of P2. We use 'regulates' here to specifically imply control. However, many colloquial usages of the term correctly correspond to the weaker relation of 'causally upstream of or within' (aka influences). Consider relabeling to make things more explicit Chris Mungall David Hill Tanya Berardini GO Regulation precludes parthood; the regulatory process may not be within the regulated process. regulates (processual) false RO:0002211 external regulates regulates regulates regulates regulates (processual) Process(P1) negatively regulates process(P2) iff: P1 terminates P2, or P1 descreases the the frequency of initiation of P2 or the magnitude or rate of output of P2. p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q. Chris Mungall negatively regulates (process to process) RO:0002212 external negatively_regulates negatively_regulates negatively regulates negatively regulates Process(P1) postively regulates process(P2) iff: P1 initiates P2, or P1 increases the the frequency of initiation of P2 or the magnitude or rate of output of P2. p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q. Chris Mungall positively regulates (process to process) RO:0002213 external positively_regulates positively_regulates positively regulates positively regulates mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974) osteoclast SubClassOf 'capable of' some 'bone resorption' A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. Chris Mungall has function realized in For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)". RO_0000053 some (RO_0000054 only ?Y) RO:0002215 external uberon capable_of capable_of capable of capable of c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p. Chris Mungall has function in RO_0000053 some (RO_0000054 only (BFO_0000050 some ?Y)) RO:0002216 external uberon capable_of_part_of capable_of_part_of capable of part of capable of part of true x surrounded_by y if and only if (1) x is adjacent to y and for every region r that is adjacent to x, r overlaps y (2) the shared boundary between x and y occupies the majority of the outermost boundary of x Chris Mungall surrounded by surrounded by A caterpillar walking on the surface of a leaf is adjacent_to the leaf, if one of the caterpillar appendages is touching the leaf. In contrast, a butterfly flying close to a flower is not considered adjacent, unless there are any touching parts. The epidermis layer of a vertebrate is adjacent to the dermis. The plasma membrane of a cell is adjacent to the cytoplasm, and also to the cell lumen which the cytoplasm occupies. The skin of the forelimb is adjacent to the skin of the torso if these are considered anatomical subdivisions with a defined border. Otherwise a relation such as continuous_with would be used. x adjacent to y if and only if x and y share a boundary. This relation acts as a join point with BSPO Chris Mungall adjacent to A caterpillar walking on the surface of a leaf is adjacent_to the leaf, if one of the caterpillar appendages is touching the leaf. In contrast, a butterfly flying close to a flower is not considered adjacent, unless there are any touching parts. inverse of surrounded by Chris Mungall surrounds Chris Mungall Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends. https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 RO:0002222 temporally_related_to A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. temporally related to inverse of starts with Chris Mungall Allen RO:0002223 uberon starts starts starts starts Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. Chris Mungall started by RO:0002224 external uberon starts_with starts_with starts with starts with x develops from part of y if and only if there exists some z such that x develops from z and z is part of y Chris Mungall develops from part of x develops_in y if x is located in y whilst x is developing Chris Mungall EHDAA2 Jonathan Bard, EHDAA2 develops in inverse of ends with Chris Mungall RO:0002229 uberon ends ends ends ends x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. Chris Mungall finished by RO:0002230 external uberon ends_with ends_with ends with ends with x 'has end location' y if and only if there exists some process z such that x 'ends with' z and z 'occurs in' y Chris Mungall ends with process that occurs in has end location p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p. Chris Mungall consumes RO:0002233 external has_input has_input has input has input p has output c iff c is a participant in p, c is present at the end of p, and c is not present in the same state at the beginning of p. Chris Mungall produces RO:0002234 external has_output has_output has output has output A broad relationship between an exposure event or process and a process by which the exposure stressor comes into contact with the exposure receptor ExO:0000055 has exposure route A broad relationship between an exposure event or process and the course takes from the source to the target. http://purl.obolibrary.org/obo/ExO_0000004 has exposure transport path Any relationship between an exposure event or process and any other entity. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving exposure events or processes. related via exposure to Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong] x has developmental contribution from y iff x has some part z such that z develops from y Chris Mungall has developmental contribution from inverse of has developmental contribution from Chris Mungall developmentally contributes to Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p false Chris Mungall In general you should not use this relation to make assertions - use one of the more specific relations below this one This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from developmentally preceded by A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision. c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes. RO:0002263 acts_upstream_of acts upstream of A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway. c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process. RO:0002264 affects acts_upstream_of_or_within acts upstream of or within Inverse of developmentally preceded by Chris Mungall developmentally succeeded by 'hypopharyngeal eminence' SubClassOf 'part of precursor of' some tongue Chris Mungall part of developmental precursor of p results in the developmental progression of s iff p is a developmental process and s is an anatomical entity and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss). p results in the developmental progression of s iff p is a developmental process and s is an anatomical structure and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss). This property and its subproperties are being used primarily for the definition of GO developmental processes. The property hierarchy mirrors the core GO hierarchy. In future we may be able to make do with a more minimal set of properties, but due to the way GO is currently structured we require highly specific relations to avoid incorrect entailments. To avoid this, the corresponding genus terms in GO should be declared mutually disjoint. Chris Mungall RO:0002295 external results_in_developmental_progression_of results_in_developmental_progression_of results in developmental progression of results in developmental progression of an annotation of gene X to anatomical structure formation with results_in_formation_of UBERON:0000007 (pituitary gland) means that at the beginning of the process a pituitary gland does not exist and at the end of the process a pituitary gland exists. every "endocardial cushion formation" (GO:0003272) results_in_formation_of some "endocardial cushion" (UBERON:0002062) Chris Mungall GOC:mtg_berkeley_2013 RO:0002297 external results_in_formation_of results_in_formation_of results in formation of results in formation of Hydrozoa (NCBITaxon_6074) SubClassOf 'has habitat' some 'Hydrozoa habitat' where 'Hydrozoa habitat' SubClassOf overlaps some ('marine environment' (ENVO_00000569) and 'freshwater environment' (ENVO_01000306) and 'wetland' (ENVO_00000043)) and 'has part' some (freshwater (ENVO_00002011) or 'sea water' (ENVO_00002149)) -- http://eol.org/pages/1795/overview x 'has habitat' y if and only if: x is an organism, y is a habitat, and y can sustain and allow the growth of a population of xs. Pier Buttigieg adapted for living in A population of xs will possess adaptations (either evolved naturally or via artifical selection) which permit it to exist and grow in y. has habitat has habitat p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q. cjm RO:0002304 external causally_upstream_of,_positive_effect causally_upstream_of,_positive_effect holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y causally upstream of, positive effect p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q. cjm RO:0002305 external causally_upstream_of,_negative_effect causally_upstream_of,_negative_effect holds between x and y if and only if x is causally upstream of y and the progression of x decreases the frequency, rate or extent of y causally upstream of, negative effect A relationship between an exposure event or process and any agent, stimulus, activity, or event that causally effects an organism and interacts with an exposure receptor during an exposure event. Austin Meier Chris Mungall Marie Angelique Laporte cjm 2017-06-05T17:35:04Z has exposure stimulus q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w. q inheres in part of w if and only if there exists some p such that q inheres in p and p part of w. Because part_of is transitive, inheres in is a sub-relation of characteristic of part of Because part_of is transitive, inheres in is a sub-relation of inheres in part of Chris Mungall inheres in part of RO:0002314 characteristic_of_part_of characteristic of part of inheres in part of true A relationship that holds via some environmental process Chris Mungall Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving the process of evolution. RO:0002320 evolutionarily_related_to evolutionarily related to A relationship that is mediated in some way by the environment or environmental feature (ENVO:00002297) Awaiting class for domain/range constraint, see: https://github.com/OBOFoundry/Experimental-OBO-Core/issues/6 Chris Mungall Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving ecological interactions ecologically related to A mereological relationship or a topological relationship Chris Mungall Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships RO:0002323 mereotopologically_related_to mereotopologically related to A relationship that holds between entities participating in some developmental process (GO:0032502) Chris Mungall Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development RO:0002324 developmentally_related_to developmentally related to a particular instances of akt-2 enables some instance of protein kinase activity c enables p iff c is capable of p and c acts to execute p. Chris Mungall catalyzes executes has is catalyzing is executing This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized. This relation is currently used experimentally by the Gene Ontology Consortium. It may not be stable and may be obsoleted at some future time. RO:0002327 enables enables A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities. Chris Mungall This is a grouping relation that collects relations used for the purpose of connecting structure and function RO:0002328 uberon functionally_related_to functionally_related_to functionally related to functionally related to this relation holds between c and p when c is part of some c', and c' is capable of p. Chris Mungall false RO:0002329 part_of_structure_that_is_capable_of part of structure that is capable of true c involved_in p if and only if c enables some process p', and p' is part of p Chris Mungall actively involved in enables part of RO:0002331 involved_in involved in inverse of enables Chris Mungall RO:0002333 enabled_by enabled by inverse of regulates Chris Mungall regulated by (processual) RO:0002334 external regulated_by regulated_by regulated by regulated by inverse of negatively regulates Chris Mungall RO:0002335 external negatively_regulated_by negatively_regulated_by negatively regulated by negatively regulated by inverse of positively regulates Chris Mungall RO:0002336 external positively_regulated_by positively_regulated_by positively regulated by positively regulated by An organism that is a member of a population of organisms is member of is a mereological relation between a item and a collection. is member of member part of SIO member of has member is a mereological relation between a collection and an item. SIO has member inverse of has input Chris Mungall RO:0002352 uberon input_of input_of input of input of inverse of has output Chris Mungall RO:0002353 external uberon output_of output_of output of output of Chris Mungall RO:0002354 formed_as_result_of formed as result of A lump of clay and a statue x spatially_coextensive_with y if and inly if x and y have the same location Chris Mungall This relation is added for formal completeness. It is unlikely to be used in many practical scenarios spatially coextensive with x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction). Chris Mungall has developmental potential involving x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y Chris Mungall has potential to developmentally contribute to x has the potential to develop into y iff x develops into y or if x is capable of developing into y Chris Mungall has potential to develop into x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y Chris Mungall has potential to directly develop into inverse of upstream of Chris Mungall RO:0002404 external causally_downstream_of causally_downstream_of causally downstream of causally downstream of Chris Mungall RO:0002405 external immediately_causally_downstream_of immediately_causally_downstream_of immediately causally downstream of immediately causally downstream of p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q. Chris Mungall indirectly activates RO:0002407 indirectly_positively_regulates indirectly positively regulates p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q. Chris Mungall indirectly inhibits RO:0002409 indirectly_negatively_regulates indirectly negatively regulates This relation groups causal relations between material entities and causal relations between processes relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. To define causal relations in an activity-flow type network, we make use of 3 primitives: * Temporal: how do the intervals of the two occurrents relate? * Is the causal relation regulatory? * Is the influence positive or negative The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. Each of these 3 primitives can be composed to yield a cross-product of different relation types. This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. To define causal relations in an activity-flow type network, we make use of 3 primitives: * Temporal: how do the intervals of the two occurrents relate? * Is the causal relation regulatory? * Is the influence positive or negative? The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. Each of these 3 primitives can be composed to yield a cross-product of different relation types. Chris Mungall Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. RO:0002410 causally_related_to causally related to relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. https://en.wikipedia.org/wiki/Causality p is causally upstream of q if and only if p precedes q and p and q are linked in a causal chain p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q. Chris Mungall RO:0002411 external causally_upstream_of causally_upstream_of causally upstream of causally upstream of p is immediately causally upstream of q iff both (a) p immediately precedes q and (b) p is causally upstream of q. In addition, the output of p must be an input of q. p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q. Chris Mungall RO:0002412 external immediately_causally_upstream_of immediately_causally_upstream_of immediately causally upstream of immediately causally upstream of p 'causally upstream or within' q iff (1) the end of p is before the end of q and (2) the execution of p exerts some causal influence over the outputs of q; i.e. if p was abolished or the outputs of p were to be modified, this would necessarily affect q. p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q. We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2 Chris Mungall influences (processual) RO:0002418 external affects causally_upstream_of_or_within causally_upstream_of_or_within causally upstream of or within inverse of causally upstream of or within Chris Mungall RO:0002427 external causally_downstream_of_or_within causally_downstream_of_or_within causally downstream of or within c involved in regulation of p if c is involved in some p' and p' regulates some p Chris Mungall RO:0002428 involved_in_regulation_of involved in regulation of c involved in regulation of p if c is involved in some p' and p' positively regulates some p Chris Mungall RO:0002429 involved_in_positive_regulation_of involved in positive regulation of c involved in regulation of p if c is involved in some p' and p' negatively regulates some p Chris Mungall RO:0002430 involved_in_negative_regulation_of involved in negative regulation of c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p OWL does not allow defining object properties via a Union Chris Mungall involved in or reguates RO:0002431 involved_in_or_involved_in_regulation_of involved in or involved in regulation of A protein that enables activity in a cytosol. c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure. Chris Mungall executes activity in enables activity in is active in true c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure. GOC:cjm GOC:dos A relationship that holds between two entities in which the processes executed by the two entities are causally connected. Considering relabeling as 'pairwise interacts with' This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact. Chris Mungall Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules. RO:0002434 in pairwise interaction with source interacts_with interacts_with interacts with http://purl.obolibrary.org/obo/MI_0914 http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ http://purl.obolibrary.org/obo/MI_0914 https://github.com/oborel/obo-relations/wiki/InteractionRelations An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other. Chris Mungall binds molecularly binds with RO:0002436 molecularly_interacts_with molecularly interacts with http://purl.obolibrary.org/obo/MI_0915 http://purl.obolibrary.org/obo/MI_0915 Axiomatization to GO to be added later Chris Mungall An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y. RO:0002447 phosphorylates phosphorylates The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B. Chris Mungall Vasundra Touré RO:0002448 molecularly controls directly_regulates_activity_of directly regulates activity of The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B. Chris Mungall Vasundra Touré directly inhibits RO:0002449 molecularly decreases activity of directly_negatively_regulates_activity_of directly negatively regulates activity of The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B. Chris Mungall Vasundra Touré directly activates RO:0002450 molecularly increases activity of directly_positively_regulates_activity_of directly positively regulates activity of Chris Mungall This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning. RO:0002464 helper_property_(not_for_use_in_curation) helper property (not for use in curation) 'otolith organ' SubClassOf 'composed primarily of' some 'calcium carbonate' x composed_primarily_of y if and only if more than half of the mass of x is made from y or units of the same type as y. Chris Mungall composed primarily of p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c. Chris Mungall has part that occurs in true Chris Mungall RO:0002481 is_kinase_activity is kinase activity x transformation of y if x is the immediate transformation of y, or is linked to y through a chain of transformation relationships Chris Mungall transformation of x immediate transformation of y iff x immediately succeeds y temporally at a time boundary t, and all of the matter present in x at t is present in y at t, and all the matter in y at t is present in x at t Chris Mungall immediate transformation of A relationship between a material entity and a process where the material entity has some causal role that influences the process RO:0002500 causal_agent_in_process causal agent in process p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one of direct activation or direct inhibition. p may be upstream, downstream, part of or a container of q. p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q. Chris Mungall Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. RO:0002501 causal_relation_between_processes causal relation between processes Chris Mungall RO:0002502 depends_on depends on The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch Chris Mungall Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. RO:0002506 causal_relation_between_entities causal relation between entities A coral reef environment is determined by a particular coral reef s determined by f if and only if s is a type of system, and f is a material entity that is part of s, such that f exerts a strong causal influence on the functioning of s, and the removal of f would cause the collapse of s. The label for this relation is probably too general for its restricted use, where the domain is a system. It may be relabeled in future Chris Mungall determined by (system to material entity) Chris Mungall Pier Buttigieg determined by inverse of determined by Chris Mungall determines (material entity to system) determines s 'determined by part of' w if and only if there exists some f such that (1) s 'determined by' f and (2) f part_of w, or f=w. Chris Mungall determined by part of true Chris Mungall causally influenced by (entity-centric) RO:0002559 causally_influenced_by causally influenced by Chris Mungall RO:0002563 interaction_relation_helper_property interaction relation helper property http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ https://github.com/oborel/obo-relations/wiki/InteractionRelations Chris Mungall RO:0002564 molecular_interaction_relation_helper_property molecular interaction relation helper property The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size). Chris Mungall Vasundra Touré causally influences (entity-centric) RO:0002566 causally_influences causally influences Process(P1) directly regulates process(P2) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. p directly regulates q iff p is immediately causally upstream of q and p regulates q. Chris Mungall directly regulates (processual) RO:0002578 directly_regulates directly regulates gland SubClassOf 'has part structure that is capable of' some 'secretion by cell' s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p Chris Mungall RO:0002584 has_part_structure_that_is_capable_of has part structure that is capable of p results in breakdown of c if and only if the execution of p leads to c no longer being present at the end of p RO:0002586 results_in_breakdown_of results in breakdown of RO:0002588 external results_in_assembly_of results_in_assembly_of results in assembly of RO:0002590 external results_in_disassembly_of results_in_disassembly_of results in disassembly of p results in organization of c iff p results in the assembly, arrangement of constituent parts, or disassembly of c RO:0002592 external results_in_organization_of results_in_organization_of results in organization of A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. Chris Mungall RO:0002595 causal_relation_between_material_entity_and_a_process causal relation between material entity and a process pyrethroid -> growth Holds between c and p if and only if c is capable of some activity a, and a regulates p. RO:0002596 capable_of_regulating capable of regulating Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p. RO:0002597 capable_of_negatively_regulating capable of negatively regulating renin -> arteriolar smooth muscle contraction Holds between c and p if and only if c is capable of some activity a, and a positively regulates p. RO:0002598 capable_of_positively_regulating capable of positively regulating Inverse of 'causal agent in process' RO:0002608 external process_has_causal_agent process_has_causal_agent process has causal agent Process(P1) directly postively regulates process(P2) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P1 directly positively regulates P2. p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q. directly positively regulates (process to process) RO:0002629 directly_positively_regulates directly positively regulates Process(P1) directly negatively regulates process(P2) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P1 directly negatively regulates P2. p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q. directly negatively regulates (process to process) RO:0002630 directly_negatively_regulates directly negatively regulates a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix. Melissa Haendel Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue. produces a produced_by b iff some process that occurs_in b has_output a. Melissa Haendel produced by p 'has primary input ot output' c iff either (a) p 'has primary input' c or (b) p 'has primary output' c. cjm 2018-12-13T11:26:17Z RO:0004007 external has_primary_input_or_output has_primary_input_or_output has primary input or output p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c. cjm 2018-12-13T11:26:32Z RO:0004008 external has_primary_output has_primary_output has primary output p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c. GOC:cjm GOC:dph GOC:kva GOC:pt PMID:27812932 A relationship between a realizable entity R (e.g. function or disposition) and a material entity M where R is realized in response to a process that has an input stimulus of M. cjm 2017-12-26T19:45:49Z realized in response to stimulus Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P. cjm 2018-01-25T23:20:13Z RO:0004031 enables_subfunction enables subfunction cjm 2018-01-26T23:49:30Z RO:0004032 acts_upstream_of_or_within,_positive_effect acts upstream of or within, positive effect cjm 2018-01-26T23:49:51Z RO:0004033 acts_upstream_of_or_within,_negative_effect acts upstream of or within, negative effect c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive cjm 2018-01-26T23:53:14Z RO:0004034 acts_upstream_of,_positive_effect acts upstream of, positive effect c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative cjm 2018-01-26T23:53:22Z RO:0004035 acts_upstream_of,_negative_effect acts upstream of, negative effect cjm 2018-03-13T23:55:05Z RO:0004046 causally_upstream_of_or_within,_negative_effect causally upstream of or within, negative effect cjm 2018-03-13T23:55:19Z RO:0004047 causally_upstream_of_or_within,_positive_effect causally upstream of or within, positive effect "has substance added" is a relation existing between a (physical) entity and a substance in which the entity has had the substance added to it at some point in time. Damion Dooley has substance added A drought sensitivity trait that inheres in a whole plant is realized in a systemic response process in response to exposure to drought conditions. An inflammatory disease that is realized in response to an inflammatory process occurring in the gut (which is itself the realization of a process realized in response to harmful stimuli in the mucosal lining of th gut) Environmental polymorphism in butterflies: These butterflies have a 'responsivity to day length trait' that is realized in response to the duration of the day, and is realized in developmental processes that lead to increased or decreased pigmentation in the adult morph. r 'realized in response to' s iff, r is a realizable (e.g. a plant trait such as responsivity to drought), s is an environmental stimulus (a process), and s directly causes the realization of r. Austin Meier Chris Mungall David Osumi-Sutherland Marie Angelique Laporte triggered by process realized in response to https://docs.google.com/document/d/1KWhZxVBhIPkV6_daHta0h6UyHbjY2eIrnON1WIRGgdY/edit triggered by process RO:cjm The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B. Vasundra Touré RO:0011002 regulates_activity_of regulates activity of p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q. pg 2022-09-26T06:07:17Z RO:0012011 indirectly_causally_upstream_of indirectly causally upstream of p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q. pg 2022-09-26T06:08:01Z RO:0012012 indirectly_regulates indirectly regulates q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. different in magnitude relative to q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. https://orcid.org/0000-0002-6601-2165 q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'. increased in magnitude relative to q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. https://orcid.org/0000-0002-6601-2165 q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'. decreased in magnitude relative to q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. https://orcid.org/0000-0002-6601-2165 q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality. reciprocal of q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. https://orcid.org/0000-0002-6601-2165 X has exposure medium Y if X is an exposure event (process), Y is a material entity, and the stimulus for X is transmitted or carried in Y. ExO:0000083 2021-12-14T20:41:45Z has exposure medium A diagnostic testing device utilizes a specimen. X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y. https://orcid.org/0000-0001-9625-1899 https://orcid.org/0000-0003-2620-0345 A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input. See github ticket https://github.com/oborel/obo-relations/issues/497 2021-11-08T12:00:00Z utilizes RO:0017001 device_utilizes_material device utilizes material A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C. RO:0019000 gene_ontology regulates_characteristic regulates_characteristic regulates characteristic A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C. RO:0019001 gene_ontology positively_regulates_characteristic positively_regulates_characteristic positively regulates characteristic A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C. RO:0019002 gene_ontology negatively_regulates_characteristic negatively_regulates_characteristic negatively regulates characteristic p has anatomical participant c iff p has participant c, and c is an anatomical entity cjm 2018-09-26T01:08:58Z RO:0040036 external results_in_changes_to_anatomical_or_cellular_structure results_in_changes_to_anatomical_or_cellular_structure results in changes to anatomical or cellular structure chebi_ontology has_functional_parent false false has functional parent chebi_ontology has_parent_hydride false false has parent hydride chebi_ontology is_conjugate_acid_of true false is conjugate acid of chebi_ontology is_conjugate_base_of true false is conjugate base of chebi_ontology is_enantiomer_of true false is enantiomer of chebi_ontology is_substituent_group_from false false is substituent group from source interacts_with_an_exposure_receptor_via interacts_with_an_exposure_receptor_via source interacts_with_an_exposure_stressor_via interacts_with_an_exposure stressor_via has_participant q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. quality decreased_in_magnitude_relative_to This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'. decreased_in_magnitude_relative_to q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. PATOC:CJM q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. quality different_in_magnitude_relative_to different_in_magnitude_relative_to q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. PATOC:CJM q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. quality increased_in_magnitude_relative_to This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'. increased_in_magnitude_relative_to q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. PATOC:CJM q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. quality reciprocal_of There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality. reciprocal_of q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. PATOC:CJM entity Entity Julius Caesar Verdi’s Requiem the Second World War your body mass index BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) entity entity Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf per discussion with Barry Smith An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) continuant Continuant continuant An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] continuant continuant Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] occurrent Occurrent An entity that has temporal parts and that happens, unfolds or develops through time. An entity that has temporal parts and that happens, unfolds or develops through time. BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] occurrent occurrent Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. per discussion with Barry Smith Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] ic IndependentContinuant a chair a heart a leg a molecule a spatial region an atom an orchestra. an organism the bottom right portion of a human torso the interior of your mouth A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] independent continuant independent continuant b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] spatial region t-region TemporalRegion Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] temporal region Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional per discussion with Barry Smith A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] process Process a process of cell-division, \ a beating of the heart a process of meiosis a process of sleeping the course of a disease the flight of a bird the life of an organism your process of aging. An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] source BFO:0000015 process process p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] disposition Disposition an atom of element X has the disposition to decay to an atom of element Y certain people have a predisposition to colon cancer children are innately disposed to categorize objects in certain ways. the cell wall is disposed to filter chemicals in endocytosis and exocytosis BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] disposition b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] realizable RealizableEntity the disposition of this piece of metal to conduct electricity. the disposition of your blood to coagulate the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] realizable entity To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] quality Quality the ambient temperature of this portion of air the color of a tomato the length of the circumference of your waist the mass of this piece of gold. the shape of your nose the shape of your nostril a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] quality a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] sdc SpecificallyDependentContinuant Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key of one-sided specifically dependent continuants: the mass of this tomato of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. the disposition of this fish to decay the function of this heart: to pump blood the mutual dependence of proton donors and acceptors in chemical reactions [79 the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction the pink color of a medium rare piece of grilled filet mignon at its center the role of being a doctor the shape of this hole. the smell of this portion of mozzarella A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] specifically dependent continuant b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. per discussion with Barry Smith (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] role Role John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. the priest role the role of a boundary to demarcate two neighboring administrative territories the role of a building in serving as a military target the role of a stone in marking a property boundary the role of subject in a clinical trial the student role A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] role b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] fiat-object-part FiatObjectPart or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 the FMA:regional parts of an intact human body. the Western hemisphere of the Earth the division of the brain into regions the division of the planet into hemispheres the dorsal and ventral surfaces of the body the upper and lower lobes of the left lung BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] fiat object fiat object part b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] object aggregate site object gdc GenericallyDependentContinuant The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. the pdf file on your laptop, the pdf file that is a copy thereof on my laptop the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] generically dependent continuant b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] function Function the function of a hammer to drive in nails the function of a heart pacemaker to regulate the beating of a heart through electricity the function of amylase in saliva to break down starch into sugar BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] function A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] 1d-t-region OneDimensionalTemporalRegion the temporal region during which a process occurs. BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] one-dimensional temporal region A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] material MaterialEntity material entity material entity a flame a forest fire a human being a hurricane a photon a puff of smoke a sea wave a tornado an aggregate of human beings. an energy wave an epidemic the undetached arm of a human being An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] bfo BFO:0000040 material entity material entity A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) continuant fiat boundary b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) immaterial entity Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species. spatial CARO:0000000 anatomical entity anatomical entity Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species. CARO:MAH Material anatomical entity that is a single connected structure with inherent 3D shape generated by coordinated expression of the organism's own genome. spatial CARO:0000003 anatomical structure connected anatomical structure Material anatomical entity that is a single connected structure with inherent 3D shape generated by coordinated expression of the organism's own genome. CC:DOS An anatomical entity that has mass. spatial CARO:0000006 material anatomical entity material anatomical entity An anatomical entity that has mass. CC:DOS organism or virus or viroid biological entity A material entity that is ingested and contributes to survival, growth and development dietary chemical component Carbohydrates that are absorbed in the small intestine and provide carbohydrate for metabolism in monogastric animals. digestible carbohydrate available carbohydrate Available carbohydrate in monosaccharide and disaccharide form free sugar A carbohydrate that resists enzymatic digestion in the digestive systems of humans and other monogastric species. dietary fibre Dietary fibre which dissolves in water and is primarily fermented in the colon of monogastric animals by gut bacteria soluble dietary fibre Dietary fibre which does not dissolve in water and is inert to digestive enzymes in the upper gastrointestinal tract of monogastric animals. insoluble dietary fibre A mineral nutrient that represents a major proportion of the minerals required in the diet macromineral macro element Mineral nutrient that is present in a very low concentration within the diet micromineral trace element A plant metabolite that is not essential for growth or division of plant cells. secondary metabolite plant secondary metabolite An organic molecule that has a vitamin(role) This term can be assigned to CHEBI or any other ontology that claims it vitamin (molecular entity) Calcium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary calcium Chlorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary chlorine Magnesium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary magnesium Phosphorus ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary phosphorus Potassium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary potassium Sodium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary sodium Sulfur ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary sulfur Copper ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary copper Fluorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary fluorine Iron ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary iron A complex carbohydrate with various rheological properties that result in viscoelastic behavior gum Glucose which is derived from sucrose. glucose derived from sucrose Fructose which is derived from sucrose. fructose derived from sucrose Glucose which is derived from maltose. glucose derived from maltose Raffinose which is derived from raffinose family oligosaccharide. raffinose derived from raffinose family oligosaccharide Glucose which is derived from raffinose derived from raffinose family oligosaccharide. glucose derived from raffinose derived from raffinose family oligosaccharide Fructose which is derived from raffinose derived from raffinose family oligosaccharide. fructose derived from raffinose derived from raffinose family oligosaccharide Inulin which is derived from fructan. inulin derived from fructan Fructose which is derived from inulin derived from fructan. fructose derived from inulin derived from fructan Amino acid which is derived from protein. amino acid derived from protein The concentration of dietary chemical component when measured in some material entity. material entity dietary chemical component concentration concentration of dietary chemical component in material entity The concentration of water when measured in some material entity. INFOODs:WATER USDA_NDB:1051 material entity water concentration concentration of water in material entity The concentration of carbohydrate when measured in some material entity. USDA_NDB:1005 USDA_NDB:1050 USDA_NDB:1072 material entity carbohydrate concentration concentration of carbohydrate in material entity The concentration of polysaccharide when measured in some material entity. INFOODs:POLYSAC material entity polysaccharide concentration concentration of polysaccharide in material entity The concentration of inulin when measured in some material entity. INFOODs:INULN USDA_NDB:1403 material entity inulin concentration concentration of inulin in material entity The concentration of monosaccharide when measured in some material entity. INFOODs:MNSAC material entity monosaccharide concentration concentration of monosaccharide in material entity The concentration of glucose when measured in some material entity. INFOODs:GLUFB INFOODs:GLUS USDA_NDB:1011 material entity glucose concentration concentration of glucose in material entity The concentration of fructose when measured in some material entity. INFOODs:FRUFB INFOODs:FRUS USDA_NDB:1012 material entity fructose concentration concentration of fructose in material entity The concentration of rhamnose when measured in some material entity. INFOODs:RHAFB INFOODs:RHAS material entity rhamnose concentration concentration of rhamnose in material entity The concentration of disaccharide when measured in some material entity. INFOODs:DISAC material entity disaccharide concentration concentration of disaccharide in material entity The concentration of sucrose when measured in some material entity. INFOODs:SUCS USDA_NDB:1010 material entity sucrose concentration concentration of sucrose in material entity The concentration of trehalose when measured in some material entity. INFOODs:TRES material entity trehalose concentration concentration of trehalose in material entity The concentration of maltose when measured in some material entity. INFOODs:MALS USDA_NDB:1014 material entity maltose concentration concentration of maltose in material entity The concentration of oligosaccharide when measured in some material entity. INFOODs:OLSAC INFOODs:OLSACM material entity oligosaccharide concentration concentration of oligosaccharide in material entity The concentration of raffinose family oligosaccharide when measured in some material entity. INFOODs:RAFS material entity raffinose family oligosaccharide concentration concentration of raffinose family oligosaccharide in material entity The concentration of raffinose when measured in some material entity. INFOODs:RAFS material entity raffinose concentration concentration of raffinose in material entity The concentration of available carbohydrate when measured in some material entity. INFOODs:CHOAVL INFOODs:CHOAVL- INFOODs:CHOAVLDF INFOODs:CHOAVLM INFOODs:CHOAVLO USDA_NDB:1005 material entity available carbohydrate concentration concentration of available carbohydrate in material entity The concentration of free sugar when measured in some material entity. INFOODs:SUGAR INFOODs:SUGAR- INFOODs:SUGARM USDA_NDB:1063 USDA_NDB:1235 USDA_NDB:2000 material entity free sugar concentration concentration of free sugar in material entity The concentration of dietary fibre when measured in some material entity. INFOODs:FIB- INFOODs:FIBC INFOODs:FIBDF INFOODs:FIBTGLC USDA_NDB:2033 material entity dietary fibre concentration concentration of dietary fibre in material entity The concentration of soluble dietary fibre when measured in some material entity. INFOODs:FIBGLCSSOL INFOODs:PSACNSS USDA_NDB:1082 material entity soluble dietary fibre concentration concentration of soluble dietary fibre in material entity The concentration of insoluble dietary fibre when measured in some material entity. INFOODs:FIBC INFOODs:FIBGLCSINS INFOODs:FIBGLCSINSOL INFOODs:FIBINS INFOODs:FIBTGLCS USDA_NDB:1084 material entity insoluble dietary fibre concentration concentration of insoluble dietary fibre in material entity The concentration of fructan when measured in some material entity. INFOODs:FRUTN INFOODs:FRUTNM material entity fructan concentration concentration of fructan in material entity The concentration of protein when measured in some material entity. INFOODs:PROT- USDA_NDB:1003 material entity protein concentration concentration of protein in material entity The concentration of cysteine when measured in some material entity. INFOODs:CYSTE USDA_NDB:1232 material entity cysteine concentration concentration of cysteine in material entity The concentration of histidine when measured in some material entity. INFOODs:HIS USDA_NDB:1221 material entity histidine concentration concentration of histidine in material entity The concentration of leucine when measured in some material entity. INFOODs:LEU USDA_NDB:1213 material entity leucine concentration concentration of leucine in material entity The concentration of methionine when measured in some material entity. INFOODs:MET USDA_NDB:1215 material entity methionine concentration concentration of methionine in material entity The concentration of phenylalanine when measured in some material entity. INFOODs:PHE USDA_NDB:1217 material entity phenylalanine concentration concentration of phenylalanine in material entity The concentration of proline when measured in some material entity. INFOODs:PRO USDA_NDB:1226 material entity proline concentration concentration of proline in material entity The concentration of lipid when measured in some material entity. INFOODs:FATPL USDA_NDB:1004 material entity lipid concentration concentration of lipid in material entity The concentration of propionic acid when measured in some material entity. INFOODs:PROPAC material entity propionic acid concentration concentration of propionic acid in material entity The concentration of palmitoleic acid when measured in some material entity. material entity palmitoleic acid concentration concentration of palmitoleic acid in material entity The concentration of ω−3 fatty acid when measured in some material entity. material entity ω−3 fatty acid concentration concentration of ω−3 fatty acid in material entity The concentration of ω−6 fatty acid when measured in some material entity. material entity ω−6 fatty acid concentration concentration of ω−6 fatty acid in material entity The concentration of arachidonic acid when measured in some material entity. material entity arachidonic acid concentration concentration of arachidonic acid in material entity The concentration of sterol when measured in some material entity. INFOODs:STEOTH INFOODs:STERFRE INFOODs:STERT material entity sterol concentration concentration of sterol in material entity The concentration of cholesterol when measured in some material entity. INFOODs:CHOLEST USDA_NDB:1253 material entity cholesterol concentration concentration of cholesterol in material entity The concentration of mineral nutrient when measured in some material entity. material entity mineral nutrient concentration concentration of mineral nutrient in material entity The concentration of macro element when measured in some material entity. material entity macro element concentration concentration of macro element in material entity The concentration of chloride when measured in some material entity. INFOODs:CLD material entity chloride concentration concentration of chloride in material entity The concentration of potassium(1+) when measured in some material entity. INFOODs:K USDA_NDB:1092 material entity potassium(1+) concentration concentration of potassium(1+) in material entity The concentration of trace element when measured in some material entity. material entity trace element concentration concentration of trace element in material entity The concentration of copper(2+) when measured in some material entity. INFOODs:CU USDA_NDB:1098 material entity copper(2+) concentration concentration of copper(2+) in material entity The concentration of fluoride when measured in some material entity. INFOODs:FD USDA_NDB:1099 material entity fluoride concentration concentration of fluoride in material entity The concentration of iron(2+) when measured in some material entity. INFOODs:FE USDA_NDB:1089 material entity iron(2+) concentration concentration of iron(2+) in material entity The concentration of lithium(1+) when measured in some material entity. INFOODs:LI material entity lithium(1+) concentration concentration of lithium(1+) in material entity The concentration of salt when measured in some material entity. INFOODs:NACL material entity salt concentration concentration of salt in material entity The concentration of sodium chloride when measured in some material entity. material entity sodium chloride concentration concentration of sodium chloride in material entity The concentration of vitamin (molecular entity) when measured in some material entity. material entity vitamin (molecular entity) concentration concentration of vitamin (molecular entity) in material entity The concentration of B vitamin when measured in some material entity. material entity B vitamin concentration concentration of B vitamin in material entity The concentration of vitamin B1 when measured in some material entity. INFOODs:THIA- USDA_NDB:1165 material entity vitamin B1 concentration concentration of vitamin B1 in material entity The concentration of riboflavin when measured in some material entity. INFOODs:RIBF USDA_NDB:1166 material entity riboflavin concentration concentration of riboflavin in material entity The concentration of nicotinic acid when measured in some material entity. INFOODs:NIA- USDA_NDB:1167 material entity nicotinic acid concentration concentration of nicotinic acid in material entity The concentration of biotin when measured in some material entity. INFOODs:BIOT USDA_NDB:1176 material entity biotin concentration concentration of biotin in material entity The concentration of folic acid when measured in some material entity. INFOODs:FOLAC USDA_NDB:1186 material entity folic acid concentration concentration of folic acid in material entity The concentration of vitamin C when measured in some material entity. INFOODs:VITC INFOODs:VITC- USDA_NDB:1162 material entity vitamin C concentration concentration of vitamin C in material entity The concentration of L-ascorbic acid when measured in some material entity. INFOODs:ASCL material entity L-ascorbic acid concentration concentration of L-ascorbic acid in material entity The concentration of vitamin A when measured in some material entity. INFOODs:VITA INFOODs:VITA- INFOODs:VITAA USDA_NDB:1104 USDA_NDB:1106 material entity vitamin A concentration concentration of vitamin A in material entity The concentration of carotenoid when measured in some material entity. INFOODs:CARTOID material entity carotenoid concentration concentration of carotenoid in material entity The concentration of β-carotene when measured in some material entity. INFOODs:CARTB USDA_NDB:1107 material entity β-carotene concentration concentration of β-carotene in material entity The concentration of vitamin D when measured in some material entity. INFOODs:VITD INFOODs:VITD- USDA_NDB:1110 material entity vitamin D concentration concentration of vitamin D in material entity The concentration of vitamin E when measured in some material entity. INFOODs:VITE INFOODs:VITE- INFOODs:VITEA USDA_NDB:1124 USDA_NDB:1158 USDA_NDB:1242 material entity vitamin E concentration concentration of vitamin E in material entity The concentration of tocopherol when measured in some material entity. INFOODs:TOCPHT material entity tocopherol concentration concentration of tocopherol in material entity The concentration of α-tocopherol when measured in some material entity. INFOODs:TOCPHA USDA_NDB:1109 material entity α-tocopherol concentration concentration of α-tocopherol in material entity The concentration of vitamin K when measured in some material entity. INFOODs:VITK material entity vitamin K concentration concentration of vitamin K in material entity The concentration of plant secondary metabolite when measured in some material entity. material entity plant secondary metabolite concentration concentration of plant secondary metabolite in material entity The concentration of alkaloid when measured in some material entity. material entity alkaloid concentration concentration of alkaloid in material entity The concentration of caffeine when measured in some material entity. INFOODs:CAFFN USDA_NDB:1057 material entity caffeine concentration concentration of caffeine in material entity The concentration of phenols when measured in some material entity. material entity phenols concentration concentration of phenols in material entity The concentration of polyphenol when measured in some material entity. INFOODs:POLYPHENT material entity polyphenol concentration concentration of polyphenol in material entity The concentration of tannin when measured in some material entity. INFOODs:TAN material entity tannin concentration concentration of tannin in material entity The concentration of catechol when measured in some material entity. material entity catechol concentration concentration of catechol in material entity The concentration of phenolic acid when measured in some material entity. material entity phenolic acid concentration concentration of phenolic acid in material entity The concentration of hydroxybenzoic acid when measured in some material entity. material entity hydroxybenzoic acid concentration concentration of hydroxybenzoic acid in material entity The concentration of salicylic acid when measured in some material entity. INFOODs:SALAC material entity salicylic acid concentration concentration of salicylic acid in material entity The concentration of methyl ketone when measured in some material entity. material entity methyl ketone concentration concentration of methyl ketone in material entity The concentration of acetophenone when measured in some material entity. material entity acetophenone concentration concentration of acetophenone in material entity The concentration of naphthoquinone when measured in some material entity. material entity naphthoquinone concentration concentration of naphthoquinone in material entity The concentration of 1,4-napthoquinone when measured in some material entity. material entity 1,4-napthoquinone concentration concentration of 1,4-napthoquinone in material entity The concentration of stilbenoid when measured in some material entity. material entity stilbenoid concentration concentration of stilbenoid in material entity The concentration of stilbene when measured in some material entity. material entity stilbene concentration concentration of stilbene in material entity The concentration of flavonoids when measured in some material entity. INFOODs:FLAVD material entity flavonoids concentration concentration of flavonoids in material entity The concentration of flavonoid when measured in some material entity. INFOODs:FLAVD material entity flavonoid concentration concentration of flavonoid in material entity The concentration of flavan when measured in some material entity. material entity flavan concentration concentration of flavan in material entity The concentration of flavanone when measured in some material entity. material entity flavanone concentration concentration of flavanone in material entity The concentration of naringenin when measured in some material entity. INFOODs:NARING material entity naringenin concentration concentration of naringenin in material entity The concentration of flavone when measured in some material entity. material entity flavone concentration concentration of flavone in material entity The concentration of chrysin when measured in some material entity. material entity chrysin concentration concentration of chrysin in material entity The concentration of quercetin when measured in some material entity. INFOODs:QUERCE material entity quercetin concentration concentration of quercetin in material entity The concentration of hydroxyflavan when measured in some material entity. material entity hydroxyflavan concentration concentration of hydroxyflavan in material entity The concentration of catechin when measured in some material entity. INFOODs:CATEC INFOODs:CATECT material entity catechin concentration concentration of catechin in material entity The concentration of isoflavonoid when measured in some material entity. INFOODs:ISOFLVND material entity isoflavonoid concentration concentration of isoflavonoid in material entity The concentration of isoflavones when measured in some material entity. material entity isoflavones concentration concentration of isoflavones in material entity The concentration of hydroxyisoflavone when measured in some material entity. material entity hydroxyisoflavone concentration concentration of hydroxyisoflavone in material entity The concentration of daidzein when measured in some material entity. INFOODs:DDZEIN material entity daidzein concentration concentration of daidzein in material entity The concentration of genistein when measured in some material entity. INFOODs:GNSTEIN material entity genistein concentration concentration of genistein in material entity The concentration of glucoside when measured in some material entity. material entity glucoside concentration concentration of glucoside in material entity The concentration of phenylpropanoid when measured in some material entity. material entity phenylpropanoid concentration concentration of phenylpropanoid in material entity The concentration of terpenoid when measured in some material entity. material entity terpenoid concentration concentration of terpenoid in material entity The concentration of diterpenoid when measured in some material entity. material entity diterpenoid concentration concentration of diterpenoid in material entity The concentration of lycopene when measured in some material entity. INFOODs:LYCPN USDA_NDB:1122 material entity lycopene concentration concentration of lycopene in material entity The concentration of triterpenoid when measured in some material entity. material entity triterpenoid concentration concentration of triterpenoid in material entity The concentration of organic acid when measured in some material entity. INFOODs:OA material entity organic acid concentration concentration of organic acid in material entity The concentration of acetic acid when measured in some material entity. INFOODs:ACEAC USDA_NDB:1026 material entity acetic acid concentration concentration of acetic acid in material entity The concentration of ascorbic acid when measured in some material entity. material entity ascorbic acid concentration concentration of ascorbic acid in material entity The concentration of oxalic acid when measured in some material entity. INFOODs:OXALAC material entity oxalic acid concentration concentration of oxalic acid in material entity The concentration of inositol when measured in some material entity. INFOODs:INOTL USDA_NDB:1181 material entity inositol concentration concentration of inositol in material entity The concentration of polyol when measured in some material entity. INFOODs:POLYL material entity polyol concentration concentration of polyol in material entity The concentration of mannitol when measured in some material entity. INFOODs:MANTL material entity mannitol concentration concentration of mannitol in material entity The concentration of glucitol when measured in some material entity. material entity glucitol concentration concentration of glucitol in material entity The concentration of polyunsaturated fatty acid when measured in some material entity. INFOODs:FAPU INFOODs:FAPULC USDA_NDB:1293 material entity polyunsaturated fatty acid concentration concentration of polyunsaturated fatty acid in material entity The concentration of glycerol when measured in some material entity. INFOODs:GLYRL material entity glycerol concentration concentration of glycerol in material entity The concentration of triglyceride when measured in some material entity. material entity triglyceride concentration concentration of triglyceride in material entity The concentration of monounsaturated fatty acid when measured in some material entity. USDA_NDB:1292 material entity monounsaturated fatty acid concentration concentration of monounsaturated fatty acid in material entity The concentration of saturated fatty acid when measured in some material entity. INFOODs:FASAT USDA_NDB:1258 material entity saturated fatty acid concentration concentration of saturated fatty acid in material entity The concentration of amylopectin when measured in some material entity. INFOODs:AMYP material entity amylopectin concentration concentration of amylopectin in material entity The concentration of amino acid when measured in some material entity. material entity amino acid concentration concentration of amino acid in material entity The concentration of fatty acid when measured in some material entity. material entity fatty acid concentration concentration of fatty acid in material entity The concentration of glucan when measured in some material entity. material entity glucan concentration concentration of glucan in material entity The concentration of glucose derived from sucrose when measured in some material entity. INFOODs:GLUS USDA_NDB:1011 material entity glucose derived from sucrose concentration concentration of glucose derived from sucrose in material entity The concentration of fructose derived from sucrose when measured in some material entity. INFOODs:FRUS USDA_NDB:1012 material entity fructose derived from sucrose concentration concentration of fructose derived from sucrose in material entity The concentration of glucose derived from maltose when measured in some material entity. INFOODs:GLUS USDA_NDB:1011 material entity glucose derived from maltose concentration concentration of glucose derived from maltose in material entity The concentration of raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:RAFS material entity raffinose derived from raffinose family oligosaccharide concentration concentration of raffinose derived from raffinose family oligosaccharide in material entity The concentration of glucose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GLUS USDA_NDB:1011 material entity glucose derived from raffinose derived from raffinose family oligosaccharide concentration concentration of glucose derived from raffinose derived from raffinose family oligosaccharide in material entity The concentration of fructose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:FRUS USDA_NDB:1012 material entity fructose derived from raffinose derived from raffinose family oligosaccharide concentration concentration of fructose derived from raffinose derived from raffinose family oligosaccharide in material entity The concentration of inulin derived from fructan when measured in some material entity. INFOODs:INULN USDA_NDB:1403 material entity inulin derived from fructan concentration concentration of inulin derived from fructan in material entity The concentration of fructose derived from inulin derived from fructan when measured in some material entity. INFOODs:FRUS USDA_NDB:1012 material entity fructose derived from inulin derived from fructan concentration concentration of fructose derived from inulin derived from fructan in material entity The concentration of amino acid derived from protein when measured in some material entity. material entity amino acid derived from protein concentration concentration of amino acid derived from protein in material entity The concentration of isoprenoid when measured in some material entity. material entity isoprenoid concentration concentration of isoprenoid in material entity The concentration of terpene when measured in some material entity. material entity terpene concentration concentration of terpene in material entity The concentration of tetraterpene when measured in some material entity. material entity tetraterpene concentration concentration of tetraterpene in material entity The concentration of carotene when measured in some material entity. material entity carotene concentration concentration of carotene in material entity The concentration of tetraterpenoid when measured in some material entity. material entity tetraterpenoid concentration concentration of tetraterpenoid in material entity The concentration of methylmercury compound when measured in some material entity. material entity methylmercury compound concentration concentration of methylmercury compound in material entity The concentration of thiamine hydrochloride when measured in some material entity. INFOODs:THIAHCL material entity thiamine hydrochloride concentration concentration of thiamine hydrochloride in material entity The concentration of vitamin B2 when measured in some material entity. material entity vitamin B2 concentration concentration of vitamin B2 in material entity The concentration of vitamin B3 when measured in some material entity. material entity vitamin B3 concentration concentration of vitamin B3 in material entity The concentration of vitamin B6 when measured in some material entity. INFOODs:VITB6- USDA_NDB:1175 material entity vitamin B6 concentration concentration of vitamin B6 in material entity The concentration of vitamin B7 when measured in some material entity. material entity vitamin B7 concentration concentration of vitamin B7 in material entity The concentration of vitamin B9 when measured in some material entity. material entity vitamin B9 concentration concentration of vitamin B9 in material entity The concentration of tetrahydrofolate when measured in some material entity. INFOODs:FOLH4 material entity tetrahydrofolate concentration concentration of tetrahydrofolate in material entity The concentration of all-trans-retinol when measured in some material entity. material entity all-trans-retinol concentration concentration of all-trans-retinol in material entity The concentration of D3 vitamins when measured in some material entity. USDA_NDB:1112 material entity D3 vitamins concentration concentration of D3 vitamins in material entity The concentration of vitamin D2 when measured in some material entity. material entity vitamin D2 concentration concentration of vitamin D2 in material entity The concentration of menadione when measured in some material entity. material entity menadione concentration concentration of menadione in material entity The concentration of menaquinone when measured in some material entity. INFOODs:MK4 INFOODs:MK5 INFOODs:MK6 INFOODs:MK7 INFOODs:MK8 INFOODs:MK9 USDA_NDB:1183 material entity menaquinone concentration concentration of menaquinone in material entity The concentration of phylloquinone when measured in some material entity. USDA_NDB:1185 material entity phylloquinone concentration concentration of phylloquinone in material entity The concentration of dietary calcium when measured in some material entity. material entity dietary calcium concentration concentration of dietary calcium in material entity The concentration of inorganic calcium salt when measured in some material entity. material entity inorganic calcium salt concentration concentration of inorganic calcium salt in material entity The concentration of calcium carbonate when measured in some material entity. material entity calcium carbonate concentration concentration of calcium carbonate in material entity The concentration of calcium sulfate when measured in some material entity. material entity calcium sulfate concentration concentration of calcium sulfate in material entity The concentration of calcium hydroxide when measured in some material entity. material entity calcium hydroxide concentration concentration of calcium hydroxide in material entity The concentration of dietary chlorine when measured in some material entity. material entity dietary chlorine concentration concentration of dietary chlorine in material entity The concentration of inorganic chloride when measured in some material entity. material entity inorganic chloride concentration concentration of inorganic chloride in material entity The concentration of potassium chloride when measured in some material entity. material entity potassium chloride concentration concentration of potassium chloride in material entity The concentration of lithium chloride when measured in some material entity. material entity lithium chloride concentration concentration of lithium chloride in material entity The concentration of organic chloride salt when measured in some material entity. material entity organic chloride salt concentration concentration of organic chloride salt in material entity The concentration of organochlorine compound when measured in some material entity. material entity organochlorine compound concentration concentration of organochlorine compound in material entity The concentration of hydrogen chloride when measured in some material entity. material entity hydrogen chloride concentration concentration of hydrogen chloride in material entity The concentration of hypochlorite when measured in some material entity. material entity hypochlorite concentration concentration of hypochlorite in material entity The concentration of dietary magnesium when measured in some material entity. material entity dietary magnesium concentration concentration of dietary magnesium in material entity The concentration of inorganic magnesium salt when measured in some material entity. material entity inorganic magnesium salt concentration concentration of inorganic magnesium salt in material entity The concentration of magnesium hydroxide when measured in some material entity. material entity magnesium hydroxide concentration concentration of magnesium hydroxide in material entity The concentration of dietary phosphorus when measured in some material entity. material entity dietary phosphorus concentration concentration of dietary phosphorus in material entity The concentration of phosphoric acid when measured in some material entity. material entity phosphoric acid concentration concentration of phosphoric acid in material entity The concentration of inorganic phosphate salt when measured in some material entity. material entity inorganic phosphate salt concentration concentration of inorganic phosphate salt in material entity The concentration of sodium phosphate when measured in some material entity. material entity sodium phosphate concentration concentration of sodium phosphate in material entity The concentration of dietary potassium when measured in some material entity. material entity dietary potassium concentration concentration of dietary potassium in material entity The concentration of inorganic potassium salt when measured in some material entity. material entity inorganic potassium salt concentration concentration of inorganic potassium salt in material entity The concentration of dietary sodium when measured in some material entity. material entity dietary sodium concentration concentration of dietary sodium in material entity The concentration of inorganic sodium salt when measured in some material entity. material entity inorganic sodium salt concentration concentration of inorganic sodium salt in material entity The concentration of sodium sulfate when measured in some material entity. material entity sodium sulfate concentration concentration of sodium sulfate in material entity The concentration of sodium hydrogensulfite when measured in some material entity. material entity sodium hydrogensulfite concentration concentration of sodium hydrogensulfite in material entity The concentration of sodium fluoride when measured in some material entity. material entity sodium fluoride concentration concentration of sodium fluoride in material entity The concentration of sodium hydroxide when measured in some material entity. material entity sodium hydroxide concentration concentration of sodium hydroxide in material entity The concentration of organic sodium salt when measured in some material entity. material entity organic sodium salt concentration concentration of organic sodium salt in material entity The concentration of dietary sulfur when measured in some material entity. material entity dietary sulfur concentration concentration of dietary sulfur in material entity The concentration of inorganic sulfate salt when measured in some material entity. material entity inorganic sulfate salt concentration concentration of inorganic sulfate salt in material entity The concentration of iron(2+) sulfate (anhydrous) when measured in some material entity. material entity iron(2+) sulfate (anhydrous) concentration concentration of iron(2+) sulfate (anhydrous) in material entity The concentration of organic sulfate when measured in some material entity. material entity organic sulfate concentration concentration of organic sulfate in material entity The concentration of organosulfur compound when measured in some material entity. material entity organosulfur compound concentration concentration of organosulfur compound in material entity The concentration of glutathione when measured in some material entity. material entity glutathione concentration concentration of glutathione in material entity The concentration of dimethyl sulfoxide when measured in some material entity. material entity dimethyl sulfoxide concentration concentration of dimethyl sulfoxide in material entity The concentration of sulfur dioxide when measured in some material entity. material entity sulfur dioxide concentration concentration of sulfur dioxide in material entity The concentration of dietary copper when measured in some material entity. material entity dietary copper concentration concentration of dietary copper in material entity The concentration of dietary fluorine when measured in some material entity. material entity dietary fluorine concentration concentration of dietary fluorine in material entity The concentration of dietary iron when measured in some material entity. material entity dietary iron concentration concentration of dietary iron in material entity The concentration of inorganic iron salt when measured in some material entity. material entity inorganic iron salt concentration concentration of inorganic iron salt in material entity The concentration of gum when measured in some material entity. INFOODs:GUMS material entity gum concentration concentration of gum in material entity The concentration of carrageenan when measured in some material entity. material entity carrageenan concentration concentration of carrageenan in material entity The concentration of ketose when measured in some material entity. material entity ketose concentration concentration of ketose in material entity The concentration of ketohexose when measured in some material entity. material entity ketohexose concentration concentration of ketohexose in material entity The concentration of alditol when measured in some material entity. material entity alditol concentration concentration of alditol in material entity The concentration of curcumin when measured in some material entity. material entity curcumin concentration concentration of curcumin in material entity The concentration of stilbenol when measured in some material entity. material entity stilbenol concentration concentration of stilbenol in material entity The concentration of benzenediols when measured in some material entity. material entity benzenediols concentration concentration of benzenediols in material entity The concentration of hydroquinone when measured in some material entity. material entity hydroquinone concentration concentration of hydroquinone in material entity The concentration of dopamine when measured in some material entity. material entity dopamine concentration concentration of dopamine in material entity The concentration of resorcinol when measured in some material entity. material entity resorcinol concentration concentration of resorcinol in material entity The concentration of serotonin when measured in some material entity. material entity serotonin concentration concentration of serotonin in material entity The concentration of biphenyl-2-ol when measured in some material entity. material entity biphenyl-2-ol concentration concentration of biphenyl-2-ol in material entity The concentration of anthoxanthin when measured in some material entity. material entity anthoxanthin concentration concentration of anthoxanthin in material entity The concentration of flavones when measured in some material entity. material entity flavones concentration concentration of flavones in material entity The concentration of hydroxyflavone when measured in some material entity. material entity hydroxyflavone concentration concentration of hydroxyflavone in material entity The concentration of flavonols when measured in some material entity. material entity flavonols concentration concentration of flavonols in material entity The concentration of hydroxyflavanone when measured in some material entity. material entity hydroxyflavanone concentration concentration of hydroxyflavanone in material entity The concentration of equol when measured in some material entity. material entity equol concentration concentration of equol in material entity The concentration of resveratrol when measured in some material entity. material entity resveratrol concentration concentration of resveratrol in material entity The concentration of diosgenin when measured in some material entity. material entity diosgenin concentration concentration of diosgenin in material entity The concentration of geraniol when measured in some material entity. material entity geraniol concentration concentration of geraniol in material entity The concentration of all-trans-retinal when measured in some material entity. material entity all-trans-retinal concentration concentration of all-trans-retinal in material entity The concentration of diarylheptanoid when measured in some material entity. material entity diarylheptanoid concentration concentration of diarylheptanoid in material entity A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. 0 C15H20O6 InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 LINOMUASTDIRTM-QGRHZQQGSA-N 296.319 296.12599 [H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1 CAS:51481-10-8 Chemspider:36584 KEGG:C09747 KNApSAcK:C00003201 LIPID_MAPS_instance:LMPR0103180002 PMID:28780485 PMID:30284112 PMID:30714884 PMID:30760085 PMID:30802751 PMID:30806951 PMID:30841652 PMID:31394401 PMID:31817218 PMID:31867960 PMID:31960350 PMID:32218143 PMID:32260237 PMID:32560237 PMID:32745571 PMID:32805342 PMID:32851525 PMID:32880717 PMID:32930227 Wikipedia:Vomitoxin 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one chebi_ontology 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one 4-Deoxynivalenol 4-Desoxynivalenol DON Dehydronivalenol Desoxynivalenol Vomitoxin CHEBI:10022 deoxynivalenol CAS:51481-10-8 ChemIDplus CAS:51481-10-8 KEGG COMPOUND LIPID_MAPS_instance:LMPR0103180002 LIPID MAPS PMID:28780485 Europe PMC PMID:30284112 Europe PMC PMID:30714884 Europe PMC PMID:30760085 Europe PMC PMID:30802751 Europe PMC PMID:30806951 Europe PMC PMID:30841652 Europe PMC PMID:31394401 Europe PMC PMID:31817218 Europe PMC PMID:31867960 Europe PMC PMID:31960350 Europe PMC PMID:32218143 Europe PMC PMID:32260237 Europe PMC PMID:32560237 Europe PMC PMID:32745571 Europe PMC PMID:32805342 Europe PMC PMID:32851525 Europe PMC PMID:32880717 Europe PMC PMID:32930227 Europe PMC 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one IUPAC 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one ChemIDplus 4-Deoxynivalenol ChemIDplus 4-Desoxynivalenol ChemIDplus DON KEGG_COMPOUND Dehydronivalenol ChemIDplus Desoxynivalenol ChemIDplus Vomitoxin KEGG_COMPOUND A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. 0 C17H18FN3O3 InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) MYSWGUAQZAJSOK-UHFFFAOYSA-N 331.34150 331.13322 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O CHEBI:102718 CHEBI:3717 CHEBI:41638 Beilstein:3568352 CAS:85721-33-1 DrugBank:DB00537 Drug_Central:659 HMDB:HMDB0014677 KEGG:C05349 KEGG:D00186 LINCS:LSM-5226 PDBeChem:CPF PMID:10397494 PMID:10737746 Patent:DE3142854 Patent:US4670444 Reaxys:3568352 VSDB:1763 Wikipedia:Ciprofloxacin 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Ciprofloxacin ciprofloxacin chebi_ontology 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ciprofloxacin ciprofloxacine ciprofloxacino ciprofloxacinum CHEBI:100241 ciprofloxacin Beilstein:3568352 Beilstein CAS:85721-33-1 ChemIDplus CAS:85721-33-1 KEGG COMPOUND Drug_Central:659 DrugCentral PMID:10397494 ChEMBL PMID:10737746 ChEMBL Reaxys:3568352 Reaxys 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid IUPAC Ciprofloxacin KEGG_COMPOUND ciprofloxacin ChEMBL 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID PDBeChem 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid ChEMBL 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ChEMBL 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ChemIDplus 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid ChEMBL 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid ChEMBL 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ChEMBL ciprofloxacin ChemIDplus ciprofloxacine ChemIDplus ciprofloxacino ChemIDplus ciprofloxacinum ChemIDplus A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. 0 C16H18FN3O3 InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23) OGJPXUAPXNRGGI-UHFFFAOYSA-N 319.33080 319.13322 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 CHEBI:7629 Beilstein:567897 CAS:70458-96-7 DrugBank:DB01059 Drug_Central:1967 Gmelin:1576626 HMDB:HMDB0015192 KEGG:C06687 KEGG:D00210 LINCS:LSM-5286 PMID:3317294 PMID:3908074 PMID:6211142 PMID:6224685 PMID:6234465 PMID:6454381 PMID:6461606 Patent:BE863429 Patent:DE2840910 Patent:US4146719 Patent:US4292317 Reaxys:567897 VSDB:1831 Wikipedia:Norfloxacin 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid chebi_ontology 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid NFLX norfloxacin norfloxacine norfloxacino norfloxacinum CHEBI:100246 norfloxacin Beilstein:567897 Beilstein CAS:70458-96-7 ChemIDplus CAS:70458-96-7 KEGG COMPOUND Drug_Central:1967 DrugCentral Gmelin:1576626 Gmelin PMID:3317294 Europe PMC PMID:3908074 Europe PMC PMID:6211142 Europe PMC PMID:6224685 Europe PMC PMID:6234465 Europe PMC PMID:6454381 Europe PMC PMID:6461606 Europe PMC Reaxys:567897 Reaxys 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid IUPAC 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ChemIDplus 1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure ChemIDplus 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ChemIDplus NFLX KEGG_DRUG norfloxacin KEGG_DRUG norfloxacine ChemIDplus norfloxacino ChemIDplus norfloxacinum ChemIDplus A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice. Beilstein:1293536 CAS:81-81-2 DrugBank:DB00682 HMDB:HMDB0001935 KEGG:C01541 KEGG:D08682 PMID:13358873 PMID:15578879 PMID:18294321 PMID:19294412 PMID:24478171 PMID:24973057 PMID:25022924 PMID:25023204 PMID:25393417 PMID:25466603 PMID:25534862 PMID:25537751 PMID:25555316 PMID:25683623 PMID:25757926 PMID:25823787 PMID:25828628 PMID:25830869 PMID:25842804 PMID:25845131 PMID:25986145 PMID:26114209 PMID:26142522 PMID:26142525 PMID:26203765 PMID:26238769 Patent:US2427578 Patent:US2765321 Patent:US2777859 Patent:US3239529 Reaxys:1293536 Wikipedia:Warfarin rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one chebi_ontology (+/-)-Warfarin (Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine (RS)-Warfarin 1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)- 3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin 3-(Acetonylbenzyl)-4-hydroxycoumarin 3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin 3-(alpha-Phenyl-beta-acetylaethyl)-4-hydroxycumarin 3-(alpha-Phenyl-beta-acetylethyl)-4-hydroxycoumarin 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin 4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin Coumafene DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin DL-warfarin Warf 10 Zoocoumarin rac-warfarin racemic warfarin warfarin warfarina warfarine warfarinum CHEBI:10033 warfarin Beilstein:1293536 Beilstein CAS:81-81-2 ChemIDplus CAS:81-81-2 KEGG COMPOUND CAS:81-81-2 NIST Chemistry WebBook PMID:13358873 Europe PMC PMID:15578879 Europe PMC PMID:18294321 Europe PMC PMID:19294412 Europe PMC PMID:24478171 Europe PMC PMID:24973057 Europe PMC PMID:25022924 Europe PMC PMID:25023204 Europe PMC PMID:25393417 Europe PMC PMID:25466603 Europe PMC PMID:25534862 Europe PMC PMID:25537751 Europe PMC PMID:25555316 Europe PMC PMID:25683623 Europe PMC PMID:25757926 Europe PMC PMID:25823787 Europe PMC PMID:25828628 Europe PMC PMID:25830869 Europe PMC PMID:25842804 Europe PMC PMID:25845131 Europe PMC PMID:25986145 Europe PMC PMID:26114209 Europe PMC PMID:26142522 Europe PMC PMID:26142525 Europe PMC PMID:26203765 Europe PMC PMID:26238769 Europe PMC Reaxys:1293536 Reaxys rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one IUPAC (+/-)-Warfarin NIST_Chemistry_WebBook (Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine ChemIDplus (RS)-Warfarin NIST_Chemistry_WebBook 1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone ChemIDplus 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)- ChemIDplus 3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin ChemIDplus 3-(Acetonylbenzyl)-4-hydroxycoumarin NIST_Chemistry_WebBook 3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin NIST_Chemistry_WebBook 3-(alpha-Phenyl-beta-acetylaethyl)-4-hydroxycumarin ChemIDplus 3-(alpha-Phenyl-beta-acetylethyl)-4-hydroxycoumarin ChemIDplus 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin ChemIDplus 4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin ChEBI Coumafene ChemIDplus DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin NIST_Chemistry_WebBook DL-warfarin ChEBI Warf 10 DrugBank Zoocoumarin ChemIDplus rac-warfarin ChEBI racemic warfarin ChEBI warfarin ChemIDplus warfarina ChemIDplus warfarine ChemIDplus warfarinum ChemIDplus A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. 0 C21H21ClN4OS InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) MVWVFYHBGMAFLY-UHFFFAOYSA-N 412.93600 412.11246 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Beilstein:6669199 CAS:146939-27-7 DrugBank:DB00246 Drug_Central:2865 KEGG:C07568 KEGG:D08687 LINCS:LSM-5433 Patent:EP281309 Patent:US4831031 Wikipedia:Ziprasidone 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one Ziprasidone chebi_ontology ziprasidona ziprasidone ziprasidonum CHEBI:10119 ziprasidone Beilstein:6669199 Beilstein CAS:146939-27-7 ChemIDplus CAS:146939-27-7 DrugBank CAS:146939-27-7 KEGG DRUG Drug_Central:2865 DrugCentral 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one IUPAC Ziprasidone KEGG_COMPOUND ziprasidona ChEBI ziprasidone ChEBI ziprasidone KEGG_DRUG ziprasidonum ChEBI A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. 0 C22H26N2O4S InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 HSUGRBWQSSZJOP-RTWAWAEBSA-N 414.51800 414.16133 COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O CHEBI:4602 Beilstein:3573079 CAS:42399-41-7 DrugBank:DB00343 Drug_Central:897 HMDB:HMDB0014487 KEGG:C06958 KEGG:D07845 LINCS:LSM-2523 PMID:11937779 PMID:16651034 PMID:19167257 PMID:23687551 PMID:24261918 PMID:25122162 PMID:8369596 Patent:DE1805714 Patent:DE3415035 Patent:US3562257 Patent:US4552695 Reaxys:3573079 VSDB:1863 Wikipedia:Diltiazem (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate chebi_ontology (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester D-cis-diltiazem d-cis-diltiazem diltiazem diltiazemum CHEBI:101278 diltiazem Beilstein:3573079 Beilstein CAS:42399-41-7 ChemIDplus CAS:42399-41-7 KEGG COMPOUND CAS:42399-41-7 NIST Chemistry WebBook Drug_Central:897 DrugCentral PMID:11937779 Europe PMC PMID:16651034 Europe PMC PMID:19167257 Europe PMC PMID:23687551 Europe PMC PMID:24261918 Europe PMC PMID:25122162 Europe PMC PMID:8369596 Europe PMC Reaxys:3573079 Reaxys (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate IUPAC (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester ChEBI (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate ChEMBL (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one ChEBI Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester ChEMBL D-cis-diltiazem ChEBI d-cis-diltiazem ChEBI diltiazem ChemIDplus diltiazem WHO_MedNet diltiazemum ChemIDplus A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. 0 C11H18N2O2S InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) IUJDSEJGGMCXSG-UHFFFAOYSA-N 242.33800 242.10890 CCCC(C)C1(CC)C(=O)NC(=S)NC1=O CHEBI:9560 Beilstein:209361 CAS:76-75-5 DrugBank:DB00599 Drug_Central:2633 KEGG:C07521 PMID:10666006 PMID:10841799 PMID:15857133 PMID:16166909 PMID:16897573 PMID:18484074 PMID:20488867 PMID:2215478 PMID:23305916 PMID:23422796 PMID:23490495 PMID:23542731 PMID:23644730 PMID:23879844 PMID:3654008 PMID:6864729 PMID:9171876 PMID:9699097 Reaxys:209361 5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione Thiopental chebi_ontology (+-)-thiopental 2-Thio-5-ethyl-5-sec-pentylbarbituric acid 5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione Penthiobarbital Pentothiobarbital Thiopentobarbital Thiopentobarbitone Thiopentobarbituric acid Thiopentone CHEBI:102166 thiopental Beilstein:209361 Beilstein CAS:76-75-5 ChemIDplus CAS:76-75-5 KEGG COMPOUND Drug_Central:2633 DrugCentral PMID:10666006 Europe PMC PMID:10841799 ChEMBL PMID:15857133 ChEMBL PMID:16166909 Europe PMC PMID:16897573 Europe PMC PMID:18484074 Europe PMC PMID:20488867 Europe PMC PMID:2215478 Europe PMC PMID:23305916 Europe PMC PMID:23422796 Europe PMC PMID:23490495 Europe PMC PMID:23542731 Europe PMC PMID:23644730 Europe PMC PMID:23879844 Europe PMC PMID:3654008 Europe PMC PMID:6864729 ChEMBL PMID:9171876 ChEMBL PMID:9699097 Europe PMC Reaxys:209361 Reaxys 5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione IUPAC Thiopental KEGG_COMPOUND (+-)-thiopental ChemIDplus 2-Thio-5-ethyl-5-sec-pentylbarbituric acid ChemIDplus 5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione ChEMBL Penthiobarbital ChemIDplus Pentothiobarbital ChemIDplus Thiopentobarbital ChemIDplus Thiopentobarbitone ChemIDplus Thiopentobarbituric acid ChemIDplus Thiopentone ChemIDplus A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. 0 C12H14N4O2S InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N 278.33000 278.08375 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 Beilstein:261304 CAS:57-68-1 DrugBank:DB01582 Drug_Central:2502 Gmelin:1009759 HMDB:HMDB0015522 KEGG:C19530 KEGG:D02436 LINCS:LSM-5295 PMID:11431418 PMID:14552772 PMID:15603963 PMID:17311370 PMID:17596632 PMID:20028131 PMID:22903812 PMID:23218311 PMID:23384282 PMID:23434485 PMID:23454458 PMID:23562141 PMID:23636590 PMID:23673752 PMID:23673946 PMID:23704574 PMID:6864729 PMID:7021831 PMID:7328159 PMID:8199304 PMID:9886437 Patent:EP1861101 Patent:GB546158 Patent:GB552887 Patent:US2407966 Patent:US3119818 Patent:WO2005016386 Reaxys:261304 VSDB:1829 Wikipedia:Sulfadimidine 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide chebi_ontology (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine 2-Sulfanilamido-4,6-dimethylpyrimidine 4,6-Dimethyl-2-sulfanilamidopyrimidine 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide SMZ Sulfadimethyldiazine Sulfadimethylpyrimidine Sulfametazina Sulfametazyny Sulfamezathine Sulphadimethylpyrimidine Sulphamethazine sulfadimidina sulfadimidine sulfadimidinum sulfamethazone CHEBI:102265 sulfamethazine Beilstein:261304 Beilstein CAS:57-68-1 ChemIDplus CAS:57-68-1 KEGG COMPOUND CAS:57-68-1 NIST Chemistry WebBook Drug_Central:2502 DrugCentral Gmelin:1009759 Gmelin PMID:11431418 Europe PMC PMID:14552772 ChEMBL PMID:15603963 ChEMBL PMID:17311370 ChEMBL PMID:17596632 Europe PMC PMID:20028131 Europe PMC PMID:22903812 Europe PMC PMID:23218311 Europe PMC PMID:23384282 Europe PMC PMID:23434485 Europe PMC PMID:23454458 Europe PMC PMID:23562141 Europe PMC PMID:23636590 Europe PMC PMID:23673752 Europe PMC PMID:23673946 Europe PMC PMID:23704574 Europe PMC PMID:6864729 ChEMBL PMID:7021831 ChEMBL PMID:7328159 Europe PMC PMID:8199304 Europe PMC PMID:9886437 Europe PMC Reaxys:261304 Reaxys 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide IUPAC (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin ChEBI 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine NIST_Chemistry_WebBook 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine ChemIDplus 2-Sulfanilamido-4,6-dimethylpyrimidine ChemIDplus 4,6-Dimethyl-2-sulfanilamidopyrimidine ChemIDplus 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide ChemIDplus 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide ChEMBL 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide ChEMBL 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin ChemIDplus N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide NIST_Chemistry_WebBook N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide NIST_Chemistry_WebBook N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide NIST_Chemistry_WebBook SMZ ChEBI Sulfadimethyldiazine ChemIDplus Sulfadimethylpyrimidine ChemIDplus Sulfametazina ChemIDplus Sulfametazyny ChemIDplus Sulfamezathine ChemIDplus Sulphadimethylpyrimidine ChemIDplus Sulphamethazine ChemIDplus sulfadimidina ChemIDplus sulfadimidine KEGG_DRUG sulfadimidinum ChemIDplus sulfamethazone ChEBI A naphthol carrying a hydroxy group at position 1. 0 C10H8O InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H KJCVRFUGPWSIIH-UHFFFAOYSA-N 144.16992 144.05751 Oc1cccc2ccccc12 Beilstein:1817321 CAS:90-15-3 Gmelin:69192 HMDB:HMDB0012138 KEGG:C11714 MetaCyc:NAPHTHOL PDBeChem:1NP PMID:16721410 PMID:18966375 PMID:22740618 Reaxys:1817321 Wikipedia:1-Naphthol 1-Naphthol 1-naphthol naphthalen-1-ol chebi_ontology 1-hydroxynaphthalene 1-naphthalenol alpha-Naphthol alpha-hydroxynaphthalene alpha-naphthol CHEBI:10319 1-naphthol Beilstein:1817321 Beilstein CAS:90-15-3 ChemIDplus CAS:90-15-3 KEGG COMPOUND CAS:90-15-3 NIST Chemistry WebBook Gmelin:69192 Gmelin PMID:16721410 Europe PMC PMID:18966375 Europe PMC PMID:22740618 Europe PMC Reaxys:1817321 Reaxys 1-Naphthol KEGG_COMPOUND 1-naphthol UniProt naphthalen-1-ol IUPAC 1-hydroxynaphthalene HMDB 1-naphthalenol NIST_Chemistry_WebBook alpha-Naphthol KEGG_COMPOUND alpha-hydroxynaphthalene NIST_Chemistry_WebBook alpha-naphthol NIST_Chemistry_WebBook A naphthol carrying a hydroxy group at position 2. 0 C10H8O InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H JWAZRIHNYRIHIV-UHFFFAOYSA-N 144.173 144.05751 OC1=CC2=CC=CC=C2C=C1 Beilstein:742134 CAS:135-19-3 Drug_Central:3370 FooDB:FDB000877 Gmelin:27395 HMDB:HMDB0012322 KEGG:C11713 MetaCyc:CPD-8131 PDBeChem:03V PMID:13386410 PMID:14751800 PMID:18515997 PMID:18856458 PMID:20260560 PMID:22069470 PMID:22740618 PMID:23344974 PMID:29987264 PMID:30572877 PMID:30828382 PMID:32206945 PMID:33862438 PMID:34033865 Reaxys:742134 Wikipedia:2-Naphthol 2-Naphthol 2-naphthol naphthalen-2-ol chebi_ontology 2-Naftol 2-hydroxynaphthalene 2-naftolo 2-naphthalenol 2-naphtol Antioxygene BN Azogen Developer A C.I. Azoic Coupling Component 1 C.I. Developer 5 Developer A Developer AMS Developer BN Isonaphthol beta-Naftol beta-Naphthol beta-Naphtol beta-hydroxynaphthalene beta-naftolo beta-naphthol beta-naphthyl alcohol beta-naphthyl hydroxide CHEBI:10432 2-naphthol Beilstein:742134 Beilstein CAS:135-19-3 ChemIDplus CAS:135-19-3 KEGG COMPOUND CAS:135-19-3 NIST Chemistry WebBook Drug_Central:3370 DrugCentral Gmelin:27395 Gmelin PMID:13386410 Europe PMC PMID:14751800 Europe PMC PMID:18515997 Europe PMC PMID:18856458 Europe PMC PMID:20260560 Europe PMC PMID:22069470 Europe PMC PMID:22740618 Europe PMC PMID:23344974 Europe PMC PMID:29987264 Europe PMC PMID:30572877 Europe PMC PMID:30828382 Europe PMC PMID:32206945 Europe PMC PMID:33862438 Europe PMC PMID:34033865 Europe PMC Reaxys:742134 Reaxys 2-Naphthol KEGG_COMPOUND 2-naphthol UniProt naphthalen-2-ol IUPAC 2-Naftol ChemIDplus 2-hydroxynaphthalene HMDB 2-naftolo ChemIDplus 2-naphthalenol NIST_Chemistry_WebBook 2-naphtol ChemIDplus Antioxygene BN HMDB Azogen Developer A HMDB C.I. Azoic Coupling Component 1 ChemIDplus C.I. Developer 5 ChemIDplus Developer A ChemIDplus Developer AMS ChemIDplus Developer BN ChemIDplus Isonaphthol ChemIDplus beta-Naftol ChemIDplus beta-Naphthol KEGG_COMPOUND beta-Naphtol ChemIDplus beta-hydroxynaphthalene ChemIDplus beta-hydroxynaphthalene NIST_Chemistry_WebBook beta-naftolo ChemIDplus beta-naphthol NIST_Chemistry_WebBook beta-naphthyl alcohol ChemIDplus beta-naphthyl hydroxide ChemIDplus Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV. -1 0.000548579903 0.0 KEGG:C05359 PMID:21614077 Wikipedia:Electron electron chebi_ontology Elektron beta beta(-) beta-particle e e(-) e- negatron CHEBI:10545 electron PMID:21614077 Europe PMC PMID:21614077 Europe PMC electron ChEBI electron IUPAC electron KEGG_COMPOUND Elektron ChEBI beta IUPAC beta(-) ChEBI beta-particle IUPAC e IUPAC e(-) UniProt e- KEGG_COMPOUND negatron IUPAC A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone. 0 C10H13ClN2 InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2 VHFVKMTVMIZMIK-UHFFFAOYSA-N 196.67640 196.07673 Clc1cccc(c1)N1CCNCC1 Beilstein:8409 CAS:6640-24-0 HMDB:HMDB0061008 KEGG:C11738 LINCS:LSM-25627 PMID:11311791 PMID:18621591 PMID:23768699 PMID:24062697 PMID:6827905 Reaxys:8409 Wikipedia:Meta-Chlorophenylpiperazine 1-(3-Chlorophenyl)piperazine 1-(3-chlorophenyl)piperazine chebi_ontology (m-CPP) m-Chlorophenylpiperazine CHEBI:10588 1-(3-chlorophenyl)piperazine Beilstein:8409 Beilstein CAS:6640-24-0 ChemIDplus CAS:6640-24-0 KEGG COMPOUND PMID:11311791 Europe PMC PMID:18621591 Europe PMC PMID:23768699 Europe PMC PMID:24062697 Europe PMC PMID:6827905 Europe PMC Reaxys:8409 Reaxys 1-(3-Chlorophenyl)piperazine KEGG_COMPOUND 1-(3-chlorophenyl)piperazine IUPAC (m-CPP) HMDB m-Chlorophenylpiperazine KEGG_COMPOUND A methylbenzoic acid carrying a methyl substituent at position 3. 0 C8H8O2 InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) GPSDUZXPYCFOSQ-UHFFFAOYSA-N 136.14790 136.05243 Cc1cccc(c1)C(O)=O Beilstein:970526 CAS:99-04-7 KEGG:C07211 MetaCyc:CPD-8775 PMID:11339298 PMID:11470206 PMID:22251573 PMID:22451532 PMID:2489427 Reaxys:970526 Wikipedia:M-Toluic_acid 3-methylbenzoic acid m-Toluic Acid chebi_ontology 3-toluic acid beta-Bethylbenzoic acid beta-Methylbenzoic acid m-Toluylic acid meta-Toluic acid CHEBI:10589 m-toluic acid Beilstein:970526 Beilstein CAS:99-04-7 ChemIDplus CAS:99-04-7 KEGG COMPOUND PMID:11339298 Europe PMC PMID:11470206 Europe PMC PMID:22251573 Europe PMC PMID:22451532 Europe PMC PMID:2489427 Europe PMC Reaxys:970526 Reaxys 3-methylbenzoic acid IUPAC m-Toluic Acid KEGG_COMPOUND 3-toluic acid ChemIDplus beta-Bethylbenzoic acid KEGG_COMPOUND beta-Methylbenzoic acid ChemIDplus m-Toluylic acid KEGG_COMPOUND meta-Toluic acid ChemIDplus Any member of the class of naturally-occurring straight-chain fatty acids n carbon atoms long with a carboxyl group at position 1 and a hydroxyl at position n (omega). CH2O3(CH2)n KEGG:C03547 PMID:13771448 PMID:16660004 omega-Hydroxy fatty acid chebi_ontology omega-hydroxy fatty acids CHEBI:10615 omega-hydroxy fatty acid PMID:13771448 Europe PMC PMID:16660004 Europe PMC omega-Hydroxy fatty acid KEGG_COMPOUND omega-hydroxy fatty acids ChEBI 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6- CDAISMWEOUEBRE-CDRYSYESSA-N 180.15588 180.06339 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:26614 Beilstein:2206312 CAS:488-59-5 Gmelin:561300 KEGG:C06153 PMID:24352657 Reaxys:2206312 scyllo-Inositol scyllo-inositol chebi_ontology (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol 1,3,5/2,4,6-cyclohexanehexol Cocositol Quercinitol Scyllitol CHEBI:10642 scyllo-inositol Beilstein:2206312 Beilstein CAS:488-59-5 ChemIDplus CAS:488-59-5 KEGG COMPOUND CAS:488-59-5 NIST Chemistry WebBook Gmelin:561300 Gmelin PMID:24352657 Europe PMC Reaxys:2206312 Reaxys scyllo-Inositol KEGG_COMPOUND scyllo-inositol IUPAC scyllo-inositol UniProt (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol IUPAC 1,3,5/2,4,6-cyclohexanehexol IUPAC Cocositol NIST_Chemistry_WebBook Quercinitol ChemIDplus Scyllitol ChemIDplus A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine. 0 C14H22ClN3O2 InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) TTWJBBZEZQICBI-UHFFFAOYSA-N 299.79600 299.14005 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC CHEBI:6898 CAS:364-62-5 DrugBank:DB01233 Drug_Central:1782 HMDB:HMDB0015363 KEGG:C07868 KEGG:D00726 LINCS:LSM-3689 Patent:BE620543 Patent:US3177252 Reaxys:1884366 VSDB:1821 Wikipedia:Metoclopramide 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide chebi_ontology 2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide 2-methoxy-5-chloroprocainamide 4-amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide Elieten Reliveran metoclopramida metoclopramide metoclopramidum CHEBI:107736 metoclopramide CAS:364-62-5 ChemIDplus CAS:364-62-5 KEGG DRUG Drug_Central:1782 DrugCentral Reaxys:1884366 Reaxys 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide IUPAC 2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide ChemIDplus 2-methoxy-5-chloroprocainamide ChemIDplus 4-amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide ChemIDplus 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide ChEMBL 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide ChemIDplus Elieten DrugBank Reliveran DrugBank metoclopramida ChemIDplus metoclopramide ChemIDplus metoclopramidum ChemIDplus An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. sodium ascorbate http://langual.org Codex::301 Europe::301 http://www.langual.org/langual_thesaurus.asp?termid=B3244 sodium l-ascorbate LanguaL term definition: Food additive; technological purpose(s): antioxidant. sodium ascorbate Benzothiazole substituted with a hydroxy group at the 2-position. 0 C7H5NOS InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YEDUAINPPJYDJZ-UHFFFAOYSA-N 151.18600 151.00918 Oc1nc2ccccc2s1 Beilstein:742522 CAS:934-34-9 PMID:15750776 PMID:18568896 PMID:23224221 PMID:9544213 Reaxys:742522 1,3-benzothiazol-2-ol chebi_ontology (2-mercatophenyl)carbamothioic acid gamma-lactone 2(3H)-Benzothiazolone 2-Benzothiazolol 2-Benzothiazolone 2-hydroxy-1,3-benzothiazole 3H-Benzothiazol-2-one HBT HOBT CHEBI:115196 2-hydroxybenzothiazole Beilstein:742522 Beilstein CAS:934-34-9 ChemIDplus CAS:934-34-9 NIST Chemistry WebBook PMID:15750776 Europe PMC PMID:18568896 Europe PMC PMID:23224221 Europe PMC PMID:9544213 ChEMBL Reaxys:742522 Reaxys 1,3-benzothiazol-2-ol IUPAC (2-mercatophenyl)carbamothioic acid gamma-lactone NIST_Chemistry_WebBook 2(3H)-Benzothiazolone ChemIDplus 2-Benzothiazolol ChemIDplus 2-Benzothiazolone ChemIDplus 2-hydroxy-1,3-benzothiazole ChEBI 3H-Benzothiazol-2-one ChEMBL HBT ChEBI HOBT ChEBI A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. 0 C9H10Cl2N2O InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) XMTQQYYKAHVGBJ-UHFFFAOYSA-N 233.09500 232.01702 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 CAS:330-54-1 KEGG:C18428 LINCS:LSM-25609 MetaCyc:CPD-16775 PMID:10866370 PMID:17142046 PMID:17449247 PMID:23081760 PMID:33400299 PPDB:260 Patent:CN103120180 Patent:CN103125511 Patent:US2768971 Pesticides:diuron Reaxys:2215168 Wikipedia:Diuron 3-(3,4-dichlorophenyl)-1,1-dimethylurea diuron chebi_ontology 1,1-dimethyl-3-(3,4-dichlorophenyl)urea 1-(3,4-dichlorophenyl)-3,3-dimethylurea 1-(3,4-dichlorophenyl)-3,3-dimethyluree 3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff 3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea DCMU N'-(3,4-dichlorophenyl)-N,N-dimethylurea N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea N-(3,4-dichlorophenyl)-N',N'-dimethylurea CHEBI:116509 diuron CAS:330-54-1 ChemIDplus CAS:330-54-1 KEGG COMPOUND CAS:330-54-1 NIST Chemistry WebBook PMID:10866370 ChEMBL PMID:17142046 ChEMBL PMID:17449247 ChEMBL PMID:23081760 Europe PMC PMID:33400299 Europe PMC Pesticides:diuron Alan Wood's Pesticides Reaxys:2215168 Reaxys 3-(3,4-dichlorophenyl)-1,1-dimethylurea IUPAC diuron UniProt 1,1-dimethyl-3-(3,4-dichlorophenyl)urea ChemIDplus 1-(3,4-dichlorophenyl)-3,3-dimethylurea ChemIDplus 1-(3,4-dichlorophenyl)-3,3-dimethyluree ChemIDplus 3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff ChemIDplus 3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea ChEMBL DCMU ChEBI N'-(3,4-dichlorophenyl)-N,N-dimethylurea ChemIDplus N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea ChemIDplus N-(3,4-dichlorophenyl)-N',N'-dimethylurea ChemIDplus A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. 0 C22H28N2O InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N 336.47050 336.22016 CCC(=O)N(C1CCN(CC1)CCc1ccccc1)c1ccccc1 CHEBI:310077 CHEBI:5012 CAS:437-38-7 DrugBank:DB00813 Drug_Central:1164 KEGG:D00320 PMID:10669565 PMID:10987438 PMID:11585443 PMID:14698188 PMID:16621415 PMID:18462178 PMID:18728103 PMID:30176422 PMID:30305277 Patent:FR1344366 Patent:US3164600 Reaxys:494484 VSDB:1864 Wikipedia:Fentanyl N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide chebi_ontology 1-phenethyl-4-(N-phenylpropionamido)piperidine 1-phenethyl-4-N-propionylanilinopiperidine Duragesic N-(1-phenethyl-4-piperidinyl)-N-phenylpropionamide N-(1-phenethyl-4-piperidyl)propionanilide N-(1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide N-phenethyl-4-(N-propionylanilino)piperidine N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide fentanilo fentanyl fentanylum phentanyl CHEBI:119915 fentanyl CAS:437-38-7 ChemIDplus CAS:437-38-7 KEGG DRUG Drug_Central:1164 DrugCentral PMID:10669565 ChEMBL PMID:10987438 ChEMBL PMID:11585443 ChEMBL PMID:14698188 ChEMBL PMID:16621415 Europe PMC PMID:18462178 Europe PMC PMID:18728103 Europe PMC PMID:30176422 Europe PMC PMID:30305277 Europe PMC Reaxys:494484 Reaxys N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide IUPAC 1-phenethyl-4-(N-phenylpropionamido)piperidine ChemIDplus 1-phenethyl-4-N-propionylanilinopiperidine ChemIDplus Duragesic ChemIDplus N-(1-phenethyl-4-piperidinyl)-N-phenylpropionamide ChemIDplus N-(1-phenethyl-4-piperidyl)propionanilide ChemIDplus N-(1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide ChEMBL N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide ChEMBL N-phenethyl-4-(N-propionylanilino)piperidine ChemIDplus N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide ChemIDplus fentanilo WHO_MedNet fentanyl WHO_MedNet fentanylum WHO_MedNet phentanyl DrugBank A nitroarene that is fluorene substituted by a nitro group at position 2. 0 C13H9NO2 InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2 XFOHWECQTFIEIX-UHFFFAOYSA-N 211.21610 211.06333 [O-][N+](=O)c1ccc-2c(Cc3ccccc-23)c1 Beilstein:1877983 CAS:607-57-8 KEGG:C10923 LINCS:LSM-37230 PMID:10366768 PMID:23128813 Reaxys:1877983 Wikipedia:2-Nitrofluorene 2-Nitrofluorene 2-nitro-9H-fluorene chebi_ontology NF Nitrofluorene CHEBI:1224 2-nitrofluorene Beilstein:1877983 Beilstein CAS:607-57-8 ChemIDplus CAS:607-57-8 KEGG COMPOUND CAS:607-57-8 NIST Chemistry WebBook PMID:10366768 Europe PMC PMID:23128813 Europe PMC Reaxys:1877983 Reaxys 2-Nitrofluorene KEGG_COMPOUND 2-nitro-9H-fluorene IUPAC NF KEGG_COMPOUND Nitrofluorene ChemIDplus A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. 0 C17H21NO InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 VHGCDTVCOLNTBX-QGZVFWFLSA-N 255.35470 255.16231 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 Beilstein:4318684 CAS:83015-26-3 DrugBank:DB00289 Drug_Central:256 HMDB:HMDB0014434 KEGG:D07473 LINCS:LSM-2452 PMID:15338851 PMID:23048018 Reaxys:4318684 Wikipedia:Atomoxetine (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine chebi_ontology (-)-Tomoxetine Tomoxetina Tomoxetinum atomoxetine tomoxetine CHEBI:127342 atomoxetine Beilstein:4318684 Beilstein CAS:83015-26-3 ChemIDplus CAS:83015-26-3 KEGG DRUG Drug_Central:256 DrugCentral PMID:15338851 Europe PMC PMID:23048018 Europe PMC Reaxys:4318684 Reaxys (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine IUPAC (-)-Tomoxetine ChEBI Tomoxetina DrugBank Tomoxetinum DrugBank atomoxetine KEGG_DRUG tomoxetine DrugBank Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication. vitamin a http://langual.org MetaCyc:Vitamin-A Wikipedia:Vitamin_A http://www.langual.org/langual_thesaurus.asp?termid=B3750 chebi_ontology vitamin A vitamer vitamin A vitamers vitamin-A vitamins A CHEBI:12777 vitamin A vitamin A vitamin A vitamer ChEBI vitamin A vitamers ChEBI vitamin-A ChEBI vitamins A ChEBI A disaccharide formed by a (1<->1)-glycosidic bond between two hexopyranose units. hexopyranosyl hexopyranoside chebi_ontology CHEBI:131401 hexopyranosyl hexopyranoside hexopyranosyl hexopyranoside IUPAC Any steroid substituted by a formyl group. chebi_ontology steroid aldehydes CHEBI:131565 steroid aldehyde steroid aldehydes ChEBI Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. chebi_ontology Mycoplasma genitalium metabolites CHEBI:131604 Mycoplasma genitalium metabolite Mycoplasma genitalium metabolites ChEBI A steroid compound with a structure based on a 27-carbon (cholestane) skeleton. chebi_ontology C27-steroids CHEBI:131619 C27-steroid C27-steroids ChEBI A steroid compound with a structure based on a 19-carbon (androstane) skeleton. chebi_ontology C19-steroids CHEBI:131621 C19-steroid C19-steroids ChEBI A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7). Wikipedia:DNA_polymerase chebi_ontology DNA duplicase inhibitor DNA duplicase inhibitors DNA nucleotidyltransferase (DNA-directed) inhibitor DNA nucleotidyltransferase (DNA-directed) inhibitors DNA nucleotidyltransferase inhibitor DNA nucleotidyltransferase inhibitors DNA polymerase I inhibitor DNA polymerase I inhibitors DNA polymerase II inhibitor DNA polymerase II inhibitors DNA polymerase III inhibitor DNA polymerase III inhibitors DNA polymerase alpha inhibitor DNA polymerase alpha inhibitors DNA polymerase beta inhibitor DNA polymerase beta inhibitors DNA polymerase gamma inhibitor DNA polymerase gamma inhibitors DNA polymerase inhibitor DNA polymerase inhibitors DNA replicase inhibitor DNA replicase inhibitors DNA-dependent DNA polymerase inhibitor DNA-dependent DNA polymerase inhibitors DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors EC 2.7.7.7 inhibitor EC 2.7.7.7 inhibitors Klenow fragment inhibitor Klenow fragment inhibitors Taq DNA polymerase inhibitor Taq DNA polymerase inhibitors Taq Pol I inhibitor Taq Pol I inhibitors Tca DNA polymerase inhibitor Tca DNA polymerase inhibitors deoxynucleate polymerase inhibitor deoxynucleate polymerase inhibitors deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors deoxyribonucleate nucleotidyltransferase inhibitor deoxyribonucleate nucleotidyltransferase inhibitors deoxyribonucleic acid duplicase inhibitor deoxyribonucleic acid duplicase inhibitors deoxyribonucleic acid polymerase inhibitor deoxyribonucleic acid polymerase inhibitors deoxyribonucleic duplicase inhibitor deoxyribonucleic duplicase inhibitors deoxyribonucleic polymerase I inhibitor deoxyribonucleic polymerase I inhibitors deoxyribonucleic polymerase inhibitor deoxyribonucleic polymerase inhibitors duplicase inhibitor duplicase inhibitors sequenase inhibitor sequenase inhibitors CHEBI:131699 EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor DNA duplicase inhibitor ChEBI DNA duplicase inhibitors ChEBI DNA nucleotidyltransferase (DNA-directed) inhibitor ChEBI DNA nucleotidyltransferase (DNA-directed) inhibitors ChEBI DNA nucleotidyltransferase inhibitor ChEBI DNA nucleotidyltransferase inhibitors ChEBI DNA polymerase I inhibitor ChEBI DNA polymerase I inhibitors ChEBI DNA polymerase II inhibitor ChEBI DNA polymerase II inhibitors ChEBI DNA polymerase III inhibitor ChEBI DNA polymerase III inhibitors ChEBI DNA polymerase alpha inhibitor ChEBI DNA polymerase alpha inhibitors ChEBI DNA polymerase beta inhibitor ChEBI DNA polymerase beta inhibitors ChEBI DNA polymerase gamma inhibitor ChEBI DNA polymerase gamma inhibitors ChEBI DNA polymerase inhibitor ChEBI DNA polymerase inhibitors ChEBI DNA replicase inhibitor ChEBI DNA replicase inhibitors ChEBI DNA-dependent DNA polymerase inhibitor ChEBI DNA-dependent DNA polymerase inhibitors ChEBI DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor ChEBI DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors ChEBI EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors ChEBI EC 2.7.7.7 inhibitor ChEBI EC 2.7.7.7 inhibitors ChEBI Klenow fragment inhibitor ChEBI Klenow fragment inhibitors ChEBI Taq DNA polymerase inhibitor ChEBI Taq DNA polymerase inhibitors ChEBI Taq Pol I inhibitor ChEBI Taq Pol I inhibitors ChEBI Tca DNA polymerase inhibitor ChEBI Tca DNA polymerase inhibitors ChEBI deoxynucleate polymerase inhibitor ChEBI deoxynucleate polymerase inhibitors ChEBI deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor ChEBI deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors ChEBI deoxyribonucleate nucleotidyltransferase inhibitor ChEBI deoxyribonucleate nucleotidyltransferase inhibitors ChEBI deoxyribonucleic acid duplicase inhibitor ChEBI deoxyribonucleic acid duplicase inhibitors ChEBI deoxyribonucleic acid polymerase inhibitor ChEBI deoxyribonucleic acid polymerase inhibitors ChEBI deoxyribonucleic duplicase inhibitor ChEBI deoxyribonucleic duplicase inhibitors ChEBI deoxyribonucleic polymerase I inhibitor ChEBI deoxyribonucleic polymerase I inhibitors ChEBI deoxyribonucleic polymerase inhibitor ChEBI deoxyribonucleic polymerase inhibitors ChEBI duplicase inhibitor ChEBI duplicase inhibitors ChEBI sequenase inhibitor ChEBI sequenase inhibitors ChEBI A EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of channel-conductance-controlling ATPase (EC 3.6.3.49, also known as cystic fibrosis conductance regulator, CFCR). CHEBI:131771 Wikipedia:Cystic_fibrosis_transmembrane_conductance_regulator chebi_ontology ATP phosphohydrolase (channel-conductance-controlling) inhibitor ATP phosphohydrolase (channel-conductance-controlling) inhibitors CFTR inhibitor CFTR inhibitors EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitors EC 3.6.3.49 inhibitor EC 3.6.3.49 inhibitors channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitor channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitors channel-conductance-controlling ATPase inhibitor channel-conductance-controlling ATPase inhibitors cystic fibrosis conductance regulator inhibitor cystic fibrosis conductance regulator inhibitors cystic fibrosis transmembrane conductance regulator inhibitor cystic fibrosis transmembrane conductance regulator inhibitors cystic-fibrosis membrane-conductance-regulating protein inhibitor cystic-fibrosis membrane-conductance-regulating protein inhibitors CHEBI:131770 EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor ATP phosphohydrolase (channel-conductance-controlling) inhibitor ChEBI ATP phosphohydrolase (channel-conductance-controlling) inhibitors ChEBI CFTR inhibitor ChEBI CFTR inhibitors ChEBI EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitors ChEBI EC 3.6.3.49 inhibitor ChEBI EC 3.6.3.49 inhibitors ChEBI channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitor ChEBI channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitors ChEBI channel-conductance-controlling ATPase inhibitor ChEBI channel-conductance-controlling ATPase inhibitors ChEBI cystic fibrosis conductance regulator inhibitor ChEBI cystic fibrosis conductance regulator inhibitors ChEBI cystic fibrosis transmembrane conductance regulator inhibitor ChEBI cystic fibrosis transmembrane conductance regulator inhibitors ChEBI cystic-fibrosis membrane-conductance-regulating protein inhibitor ChEBI cystic-fibrosis membrane-conductance-regulating protein inhibitors ChEBI An organosulfonate oxoanion obtained by deprotonation of the N-sulfo group of any sulfamic acid; major species at pH 7.3. -1 HNO3SR 95.079 94.96771 S([O-])(=O)(=O)N* chebi_ontology a sulfamate CHEBI:131822 sulfamate a sulfamate UniProt An unsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any octadecanoid. chebi_ontology anionic octadecanoid anionic octadecanoids octadecanoid anions CHEBI:131860 octadecanoid anion anionic octadecanoid ChEBI anionic octadecanoids ChEBI octadecanoid anions ChEBI An octadecanoid anion anion obtained by the deprotonation of the carboxy group of any hydroperoxyoctadecadienoic acid. chebi_ontology HPODE anion HPODE anions hydroperoxyoctadecadienoate hydroperoxyoctadecadienoates CHEBI:131862 HPODE(1-) HPODE anion ChEBI HPODE anions ChEBI hydroperoxyoctadecadienoate ChEBI hydroperoxyoctadecadienoates SUBMITTER Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents. -1 CHO3R 61.017 60.99257 O*C([O-])=O chebi_ontology a hydroxy polyunsaturated fatty acid hydroxy PUFA hydroxy polyunsaturated fatty acid anions CHEBI:131871 hydroxy polyunsaturated fatty acid anion a hydroxy polyunsaturated fatty acid UniProt hydroxy PUFA SUBMITTER hydroxy polyunsaturated fatty acid anions ChEBI A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-imazamox. -1 C15H18N3O4 InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1/t15-/m1/s1 NUPJIGQFXCQJBK-OAHLLOKOSA-M 304.322 304.13028 C1(=NC=C(C=C1C(=O)[O-])COC)C2=NC([C@@](N2)(C)C(C)C)=O 2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinate chebi_ontology 2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate 5-(methoxymethyl)-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylate CHEBI:131899 (R)-imazamox(1-) 2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinate IUPAC 2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate ChEBI 5-(methoxymethyl)-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylate ChEBI A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens. chebi_ontology dicarboxylic acids and derivatives CHEBI:131927 dicarboxylic acids and O-substituted derivatives dicarboxylic acids and derivatives ChEBI An N-sulfonylurea in which the sulfur atom is attached to a 2-carboxythiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. The corresponding methyl ester, known as thifensulfuron-methyl, is used as a post-emergence herbicide for the control of grass and broad-leaved weeds. 0 C11H11N5O6S2 InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19) LOQQVLXUKHKNIA-UHFFFAOYSA-N 373.368 373.01508 S1C=CC(=C1C(O)=O)S(NC(=O)NC=2N=C(N=C(N2)OC)C)(=O)=O AGR:IND21975725 AGR:IND21983041 AGR:IND21984069 AGR:IND23256565 AGR:IND44616493 AGR:IND88022327 AGR:IND89001613 AGR:IND91008589 CAS:79277-67-1 PPDB:972 Pesticides:thifensulfuron 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid chebi_ontology 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acid thiameturon thifensulfuron acid CHEBI:132053 thifensulfuron AGR:IND21975725 Europe PMC AGR:IND21983041 Europe PMC AGR:IND21984069 Europe PMC AGR:IND23256565 Europe PMC AGR:IND44616493 Europe PMC AGR:IND88022327 Europe PMC AGR:IND89001613 Europe PMC AGR:IND91008589 Europe PMC CAS:79277-67-1 Alan Wood's Pesticides CAS:79277-67-1 ChemIDplus Pesticides:thifensulfuron Alan Wood's Pesticides 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid IUPAC 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acid Alan_Wood's_Pesticides thiameturon Alan_Wood's_Pesticides thifensulfuron acid ChEBI Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives. 0 C6O2R4 104.063 103.98983 O=C1C(*)=C(*)C(=O)C(*)=C1* chebi_ontology a quinone p-benzoquinones para-benzoquinones CHEBI:132124 1,4-benzoquinones a quinone UniProt p-benzoquinones ChEBI para-benzoquinones ChEBI Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group. chebi_ontology hydroxyquinones CHEBI:132130 hydroxyquinone hydroxyquinones ChEBI A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring. chebi_ontology CHEBI:132142 1,4-naphthoquinones 1,4-naphthoquinones Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group. Wikipedia:Hydroxynaphthoquinone chebi_ontology hydroxynaphthoquinones CHEBI:132155 hydroxynaphthoquinone hydroxynaphthoquinones ChEBI Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group. chebi_ontology hydroxy-1,4-naphthoquinones CHEBI:132157 hydroxy-1,4-naphthoquinone hydroxy-1,4-naphthoquinones ChEBI A secondary aliphatic ammonium ion resulting from the protonation of the amino group of diethylamine. +1 C4H12N InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/p+1 HPNMFZURTQLUMO-UHFFFAOYSA-O 74.145 74.09643 CC[NH2+]CC N-ethylethanaminium chebi_ontology CHEBI:132181 diethylammonium N-ethylethanaminium IUPAC A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group. 0 C9H13N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N 135.207 135.10480 C=1(C=CC=CC1)CC(C)N 1-phenylpropan-2-amine chebi_ontology CHEBI:132233 1-phenylpropan-2-amine 1-phenylpropan-2-amine IUPAC An organic cation obtained by protonation of the secondary amino function of phenylephrine. +1 C9H14NO2 InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1 SONNWYBIRXJNDC-VIFPVBQESA-O 168.213 168.10191 C=1C(=CC=CC1[C@H](C[NH2+]C)O)O (2R)-2-hydroxy-2-(3-hydroxyphenyl)-N-methylethan-1-aminium chebi_ontology phenylephrine cation CHEBI:132294 phenylephrine(1+) (2R)-2-hydroxy-2-(3-hydroxyphenyl)-N-methylethan-1-aminium IUPAC phenylephrine cation ChEBI An organic cation obtained by protonation of the secondary amino function of methamphetamine. +1 C10H16N InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/p+1/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-O 150.241 150.12773 C=1(C[C@@H]([NH2+]C)C)C=CC=CC1 (2S)-N-methyl-1-phenylpropan-2-aminium chebi_ontology methamphetamine cation CHEBI:132297 methamphetamine(1+) (2S)-N-methyl-1-phenylpropan-2-aminium IUPAC methamphetamine cation ChEBI A perfluoroalkanesulfonic acid that is butane-1-sulfonic acid in which all of the hydrogens of the butyl group have been replaced by fluorines. 0 C4HF9O3S InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16) JGTNAGYHADQMCM-UHFFFAOYSA-N 300.101 299.95027 C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(F)(F)F)(F)F CAS:375-73-5 PMID:16433328 PMID:17917760 PMID:19059455 PMID:19429410 PMID:20451658 PMID:23441933 PMID:24238775 PMID:25268321 PMID:26360456 PMID:26610298 PMID:26780052 PMID:26889942 Patent:WO2011093371 Reaxys:1813588 Wikipedia:Perfluorobutanesulfonic_acid nonafluorobutane-1-sulfonic acid chebi_ontology 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid 1-perfluorobutanesulfonic acid FC-98 PFBS nonafluoro-1-butanesulfonic acid nonafluorobutanesulfonic acid perfluorobutane-1-sulfonic acid CHEBI:132446 perfluorobutanesulfonic acid CAS:375-73-5 ChemIDplus PMID:16433328 Europe PMC PMID:17917760 Europe PMC PMID:19059455 Europe PMC PMID:19429410 Europe PMC PMID:20451658 Europe PMC PMID:23441933 Europe PMC PMID:24238775 Europe PMC PMID:25268321 Europe PMC PMID:26360456 Europe PMC PMID:26610298 Europe PMC PMID:26780052 Europe PMC PMID:26889942 Europe PMC Reaxys:1813588 Reaxys nonafluorobutane-1-sulfonic acid IUPAC 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid ChemIDplus 1-perfluorobutanesulfonic acid ChemIDplus FC-98 ChEBI PFBS ChEBI nonafluoro-1-butanesulfonic acid ChemIDplus nonafluorobutanesulfonic acid ChemIDplus perfluorobutane-1-sulfonic acid ChEBI An organosulfonic acid in which the sulfo group is directly attached to a perfluoroalkyl group. chebi_ontology perfluoroalkanesulfonic acids perfluoroalkylsulfonic acid perfluoroalkylsulfonic acids CHEBI:132447 perfluoroalkanesulfonic acid perfluoroalkanesulfonic acids ChEBI perfluoroalkylsulfonic acid ChEBI perfluoroalkylsulfonic acids ChEBI A perfluoroalkanesulfonic acid that is hexane-1-sulfonic acid in which all thirteen of the hydrogens that are attached to carbons have been replaced by fluorines. 0 C6HF13O3S InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22) QZHDEAJFRJCDMF-UHFFFAOYSA-N 400.116 399.94388 C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F CAS:355-46-4 PMID:20471065 PMID:21346631 Reaxys:1813793 tridecafluorohexane-1-sulfonic acid chebi_ontology 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid perfluorohexane sulfonic acid perfluorohexane-1-sulfonic acid CHEBI:132448 perfluorohexanesulfonic acid CAS:355-46-4 ChemIDplus PMID:20471065 Europe PMC PMID:21346631 Europe PMC Reaxys:1813793 Reaxys tridecafluorohexane-1-sulfonic acid IUPAC 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid ChemIDplus perfluorohexane sulfonic acid ChemIDplus perfluorohexane-1-sulfonic acid ChemIDplus Any aromatic amide obtained by acylation of aniline. 0 C7H6NOR 120.12860 120.04494 [*]C(=O)Nc1ccccc1 KEGG:C01402 PMID:23535982 PMID:23968552 PMID:24273122 PMID:6205897 chebi_ontology N-phenyl amide N-phenyl amides an anilide CHEBI:13248 anilide PMID:23535982 Europe PMC PMID:23968552 Europe PMC PMID:24273122 Europe PMC PMID:6205897 Europe PMC N-phenyl amide ChEBI N-phenyl amides ChEBI an anilide UniProt Any polyunsaturated fatty acid containing 20 carbons and 4 double bonds. 0 C20H32O2 304.46690 304.24023 C(=O)(O)* chebi_ontology FA 20:4 free fatty acid 20:4 CHEBI:132539 fatty acid 20:4 FA 20:4 ChEBI free fatty acid 20:4 ChEBI A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties. Wikipedia:Bleach chebi_ontology CHEBI:132717 bleaching agent A member of the class of lysophosphatidic acids obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid. A 'closed' class. 0 C3H7O6PR2 170.058 169.99802 [C@](CO*)(O*)([H])COP(O)(=O)O chebi_ontology lysophosphatidic acids CHEBI:132742 lysophosphatidic acid lysophosphatidic acids ChEBI A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position. 0 C11H11N3O2S InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N 249.28900 249.05720 Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Beilstein:222065 CAS:144-83-2 DrugBank:DB00891 Drug_Central:2524 Gmelin:219135 HMDB:HMDB0015028 KEGG:D02434 LINCS:LSM-5531 PMID:11431418 PMID:17964793 PMID:6136612 PMID:6993682 PMID:7021831 Patent:GB512145 Patent:US2275354 Reaxys:222065 VSDB:1922 Wikipedia:Sulfapyridine 4-amino-N-(pyridin-2-yl)benzenesulfonamide chebi_ontology 2-(p-Aminobenzenesulphonamido)pyridine 2-Sulfanilamidopyridin 2-Sulfanilamidopyridine 2-Sulfanilylaminopyridine 2-Sulfapyridine 4-(2-Pyridinylsulfonyl)aniline 4-Amino-N,2-pyridinylbenzenesulfonamide 4-Amino-N-pyridin-2-yl-benzenesulfonamide 4-[(2-Pyridylamino)sulfonyl]aniline N(1)-2-Pyridylsulfanilamide N(1)-Pyridylsulfanilamide N-2-Pyridylsulfanilamide Solfapiridina Sulphapyridine sulfapiridina sulfapyridine sulfapyridinum CHEBI:132842 sulfapyridine Beilstein:222065 Beilstein CAS:144-83-2 ChemIDplus CAS:144-83-2 DrugBank CAS:144-83-2 KEGG DRUG Drug_Central:2524 DrugCentral Gmelin:219135 Gmelin PMID:11431418 Europe PMC PMID:17964793 ChEMBL PMID:6136612 ChEMBL PMID:6993682 ChEMBL PMID:7021831 ChEMBL Reaxys:222065 Reaxys 4-amino-N-(pyridin-2-yl)benzenesulfonamide IUPAC 2-(p-Aminobenzenesulphonamido)pyridine ChemIDplus 2-Sulfanilamidopyridin ChemIDplus 2-Sulfanilamidopyridine DrugBank 2-Sulfanilylaminopyridine DrugBank 2-Sulfapyridine DrugBank 4-(2-Pyridinylsulfonyl)aniline DrugBank 4-Amino-N,2-pyridinylbenzenesulfonamide NIST_Chemistry_WebBook 4-Amino-N-pyridin-2-yl-benzenesulfonamide ChEMBL 4-[(2-Pyridylamino)sulfonyl]aniline DrugBank N(1)-2-Pyridylsulfanilamide DrugBank N(1)-Pyridylsulfanilamide DrugBank N-2-Pyridylsulfanilamide DrugBank Solfapiridina ChemIDplus Sulphapyridine DrugBank sulfapiridina ChemIDplus sulfapyridine KEGG_DRUG sulfapyridinum ChemIDplus A monocarboxylic acid anion that is the conjugate base of ibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3. -1 C13H17O2 InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1 HEFNNWSXXWATRW-UHFFFAOYSA-M 205.273 205.12340 C=1C=C(C=CC1C(C(=O)[O-])C)CC(C)C Reaxys:4784081 2-[4-(2-methylpropyl)phenyl]propanoate chebi_ontology ibuprofen ibuprofen anion CHEBI:132922 ibuprofen(1-) Reaxys:4784081 Reaxys 2-[4-(2-methylpropyl)phenyl]propanoate IUPAC ibuprofen ChEBI ibuprofen anion ChEBI An organic sodium salt that is the disodium salt of GMP. 0 C10H12N5Na2O8P InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1 PVBRXXAAPNGWGE-LGVAUZIVSA-L 407.185 407.02189 C1(=O)NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)N.[Na+].[Na+] CAS:5550-12-9 PMID:1851447 PMID:22391056 PMID:4601956 Wikipedia:Disodium_guanylate disodium 5'-O-phosphonatoguanosine chebi_ontology 5'-gmp disodium salt 5-guanylic acid disodium salt E627 GMP disodium salt disodium 5'-GMP disodium GMP disodium guanosine 5'-monophosphate disodium guanosine-5'-monophosphate disodium guanylate guanosine 5'-monophosphate disodium salt guanosine 5'-phosphate disodium salt sodium guanylate CHEBI:132932 disodium 5'-guanylate CAS:5550-12-9 ChemIDplus PMID:1851447 Europe PMC PMID:22391056 Europe PMC PMID:4601956 Europe PMC disodium 5'-O-phosphonatoguanosine IUPAC 5'-gmp disodium salt ChemIDplus 5-guanylic acid disodium salt ChemIDplus E627 ChEBI GMP disodium salt ChemIDplus disodium 5'-GMP ChemIDplus disodium GMP ChemIDplus disodium guanosine 5'-monophosphate ChemIDplus disodium guanosine-5'-monophosphate ChemIDplus disodium guanylate ChemIDplus guanosine 5'-monophosphate disodium salt ChemIDplus guanosine 5'-phosphate disodium salt ChemIDplus sodium guanylate ChemIDplus An octadecenoate in which the double bond is at C-9. -1 C18H33O2 InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1 ZQPPMHVWECSIRJ-UHFFFAOYSA-M 281.454 281.24860 C(=CCCCCCCCC)CCCCCCCC(=O)[O-] octadec-9-enoate chebi_ontology 9-octadecenoate C18:1, n-9(1-) Delta(9)-octadecenoate CHEBI:132944 octadec-9-enoate octadec-9-enoate IUPAC 9-octadecenoate ChEBI C18:1, n-9(1-) ChEBI Delta(9)-octadecenoate ChEBI A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of maleic acid. chebi_ontology maleate anion maleate anions maleates maleic acid anion maleic acid anions CHEBI:132951 maleate maleate anion ChEBI maleate anions ChEBI maleates ChEBI maleic acid anion ChEBI maleic acid anions ChEBI A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid. chebi_ontology ethanedioic acid anion ethanedioic acid anions oxalate anion oxalate anions oxalates oxalic acid anion oxalic acid anions CHEBI:132952 oxalate ethanedioic acid anion ChEBI ethanedioic acid anions ChEBI oxalate anion ChEBI oxalate anions ChEBI oxalates ChEBI oxalic acid anion ChEBI oxalic acid anions ChEBI A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol. 0 C19H20F3NO4 InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3 VAIZTNZGPYBOGF-UHFFFAOYSA-N 383.362 383.13444 C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(OCCCC)=O)C)C(F)(F)F PPDB:323 butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate chebi_ontology CHEBI:132963 butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate IUPAC A butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configutation. The active enantiomer of the herbicide fluazifop-butyl, it is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops. 0 C19H20F3NO4 InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1 VAIZTNZGPYBOGF-CYBMUJFWSA-N 383.362 383.13444 C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F AGR:IND601311742 CAS:79241-46-6 PMID:21487707 PMID:23387923 PMID:25149239 PMID:26147883 PMID:26628016 PMID:26735732 PMID:27157530 PMID:27378613 PPDB:324 Pesticides:fluazifop-p-butyl Reaxys:8346184 butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate chebi_ontology Fusilade II butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate CHEBI:132964 fluazifop-P-butyl AGR:IND601311742 Europe PMC CAS:79241-46-6 Alan Wood's Pesticides CAS:79241-46-6 ChemIDplus PMID:21487707 Europe PMC PMID:23387923 Europe PMC PMID:25149239 Europe PMC PMID:26147883 Europe PMC PMID:26628016 Europe PMC PMID:26735732 Europe PMC PMID:27157530 Europe PMC PMID:27378613 Europe PMC Pesticides:fluazifop-p-butyl Alan Wood's Pesticides Reaxys:8346184 Reaxys butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate IUPAC Fusilade II ChEBI butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate Alan_Wood's_Pesticides butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate Alan_Wood's_Pesticides A butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the inactive enantiomer of the herbicide fluazifop-P-butyl. 0 C19H20F3NO4 InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m0/s1 VAIZTNZGPYBOGF-ZDUSSCGKSA-N 383.362 383.13444 C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@H](C(OCCCC)=O)C)C(F)(F)F PMID:21487707 PMID:26735732 butyl (2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate chebi_ontology butyl (2S)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate butyl (S)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate CHEBI:132965 (S)-fluazifop-butyl PMID:21487707 Europe PMC PMID:26735732 Europe PMC butyl (2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate IUPAC butyl (2S)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate ChEBI butyl (S)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate ChEBI A drug that makes increases the sensitivity of tumour cells to radiation therapy. PMID:12520460 Wikipedia:Radiosensitizer chebi_ontology radiosensitiser radiosensitisers radiosensitising agent radiosensitising agents radiosensitizer radiosensitizers radiosensitizing agents CHEBI:132992 radiosensitizing agent PMID:12520460 Europe PMC radiosensitiser ChEBI radiosensitisers ChEBI radiosensitising agent ChEBI radiosensitising agents ChEBI radiosensitizer ChEBI radiosensitizers ChEBI radiosensitizing agents ChEBI Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives. chebi_ontology chromenochromenes CHEBI:133135 chromenochromene chromenochromenes ChEBI A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (S)-imazamox. -1 C15H18N3O4 InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1/t15-/m0/s1 NUPJIGQFXCQJBK-HNNXBMFYSA-M 304.322 304.13028 C1(=NC=C(C=C1C(=O)[O-])COC)C2=NC([C@](N2)(C)C(C)C)=O 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinate chebi_ontology (S)-imazamox anion 2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate 5-(methoxymethyl)-2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid CHEBI:133193 (S)-imazamox(1-) 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinate IUPAC (S)-imazamox anion ChEBI 2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate ChEBI 5-(methoxymethyl)-2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid IUPAC A fatty aldehyde in which there is no carbon-carbon unsaturation. 0 CHOR 29.018 29.00274 *C([H])=O PMID:14564727 PMID:17805609 PMID:4531008 chebi_ontology a saturated fatty aldehyde saturated fatty aldehydes CHEBI:133249 saturated fatty aldehyde PMID:14564727 Europe PMC PMID:17805609 Europe PMC PMID:4531008 Europe PMC a saturated fatty aldehyde UniProt saturated fatty aldehydes ChEBI A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds. -2 C2O4R 88.019 87.97966 [O-]C(*C([O-])=O)=O chebi_ontology a saturated dicarboxylic acid saturated dicarboxylate(2-) CHEBI:133291 saturated dicarboxylic acid dianion(2-) a saturated dicarboxylic acid UniProt saturated dicarboxylate(2-) SUBMITTER An inorganic oxide that is an oxide of any metal. chebi_ontology metal oxides CHEBI:133331 metal oxide metal oxides ChEBI An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-lysine; major species at pH 7.3. 0 C6H14N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N 146.188 146.10553 [O-]C([C@H](CCCCN)[NH3+])=O (2S)-6-amino-2-azaniumylhexanoate chebi_ontology L-lysine Lys lysine zwitterion CHEBI:133538 L-lysine zwitterion (2S)-6-amino-2-azaniumylhexanoate IUPAC L-lysine ChEBI Lys ChEBI lysine zwitterion ChEBI An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups as well as protonation of the amino group of glyphosate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). -1 C3H7NO5P InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-1 XDDAORKBJWWYJS-UHFFFAOYSA-M 168.065 168.00673 O=C([O-])C[NH2+]CP(=O)(O)[O-] chebi_ontology glyphosate CHEBI:133673 glyphosate(1-) glyphosate UniProt A nitroalkane in which the nitro group is attached to a terminal carbon. Major microspecies at pH 7.3. 0 CH2NO2R 60.032 60.00855 C([N+]([O-])=O)* MetaCyc:Nitroalkanes PMID:1710166 PMID:26506056 PMID:7762004 chebi_ontology a primary nitroalkane CHEBI:133972 primary nitroalkane MetaCyc:Nitroalkanes SUBMITTER PMID:1710166 Europe PMC PMID:26506056 Europe PMC PMID:7762004 Europe PMC a primary nitroalkane UniProt Any polyunsaturated fatty acid anion carrying one or more hydroperoxy substituents. -1 CHO4R 77.016 76.98748 *(C([O-])=O)OO chebi_ontology a hydroperoxy polyunsaturated fatty acid hydroperoxy polyunsaturated fatty acid anions hydroperoxy-polyunsaturated fatty acid anion hydroperoxy-polyunsaturated fatty acid anions CHEBI:134019 hydroperoxy polyunsaturated fatty acid anion a hydroperoxy polyunsaturated fatty acid UniProt hydroperoxy polyunsaturated fatty acid anions ChEBI hydroperoxy-polyunsaturated fatty acid anion ChEBI hydroperoxy-polyunsaturated fatty acid anions ChEBI An organochlorine compound derived from methane, ethane or propane that contains atoms of carbon, chlorine, and fluorine only. They are nontoxic, nonflammable chemicals used in aerosol sprays and as refrigerants. Being ozone depletion agents, their manufacture and use is being phased out under the Montreal Protocol. Wikipedia:Chlorofluorocarbon chebi_ontology CFC CFCs chlorofluorocarbons CHEBI:134024 chlorofluorocarbon CFC ChEBI CFCs ChEBI chlorofluorocarbons ChEBI An organochlorine compound derived from methane, ethane or propane that contains atoms of hydrogen, chlorine, fluorine, and carbon only. chebi_ontology HCFC HCFCs hydro-chlorofluorocarbon hydro-chlorofluorocarbons hydrochlorofluorocarbons CHEBI:134040 hydrochlorofluorocarbon HCFC ChEBI HCFCs ChEBI hydro-chlorofluorocarbon ChEBI hydro-chlorofluorocarbons ChEBI hydrochlorofluorocarbons ChEBI Any member of the class of ureas in which at least one of the nitrogens of the urea moiety is substituted by a phenyl or substituted phenyl group. chebi_ontology CHEBI:134043 phenylureas An oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic. 0 C4H4O2 InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H KVGZZAHHUNAVKZ-UHFFFAOYSA-N 84.074 84.02113 C1=COC=CO1 CAS:290-67-5 Wikipedia:1,4-Dioxin 1,4-dioxine chebi_ontology 1,4-dioxin dioxin p-dioxin CHEBI:134044 1,4-dioxine CAS:290-67-5 ChemIDplus CAS:290-67-5 NIST Chemistry WebBook 1,4-dioxine IUPAC 1,4-dioxin ChemIDplus dioxin ChEBI p-dioxin ChemIDplus Organochlorine compounds that are polychlorinated dibenzodioxines and structurally related entities that are persistant organic pollutants. These include polychlorinated dibenzofurans as well as polychlorinated and polybrominated biphenyls They vary widely in their toxicity, but their toxic mode of action is through the aryl hydrocarbon receptor. Wikipedia:Dioxins_and_dioxin-like_compounds chebi_ontology DLCs PCDDs and related compounds dioxins and dioxin-like compounds polychlorinated dibenzodioxins and related compounds CHEBI:134045 polychlorinated dibenzodioxines and related compounds DLCs ChEBI PCDDs and related compounds ChEBI dioxins and dioxin-like compounds ChEBI polychlorinated dibenzodioxins and related compounds ChEBI A member of the class of benzofurans that is benzofuran in which two or more of the hydrogens have reen replaced by chlorines. PMID:24279584 PMID:25754105 PMID:27043380 PMID:27555483 PMID:27776226 PMID:27776233 Wikipedia:Polychlorinated_dibenzofurans chebi_ontology PCDF PCDFs polychlorinated dibenzofurans CHEBI:134046 polychlorinated dibenzofuran PMID:24279584 Europe PMC PMID:25754105 Europe PMC PMID:27043380 Europe PMC PMID:27555483 Europe PMC PMID:27776226 Europe PMC PMID:27776233 Europe PMC PCDF ChEBI PCDFs ChEBI polychlorinated dibenzofurans ChEBI A bromoarene that consists of a biphenyl skeleton substituted by one or more bromo groups. chebi_ontology bromobiphenyls CHEBI:134047 bromobiphenyl bromobiphenyls ChEBI A biphenyl compound containing between 2 and 10 bromine atoms attached to the two benzene rings. Wikipedia:Polybrominated_biphenyl chebi_ontology PBB PBBs polybrominated biphenyl polybrominated biphenyls polybromobiphenyls CHEBI:134049 polybromobiphenyl PBB ChEBI PBBs ChEBI polybrominated biphenyl ChEBI polybrominated biphenyls ChEBI polybromobiphenyls ChEBI A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines. 0 C12H4Br6 InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H HMBBJSKXDBUNNT-UHFFFAOYSA-N 627.582 621.54133 C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br CAS:59080-40-9 PMID:15099731 PMID:18255122 PMID:19034893 PMID:23721586 PMID:27474862 PMID:27521000 Reaxys:1991358 2,2',4,4',5,5'-hexabromo[biphenyl] chebi_ontology 2,2'4,4',5,5'-hexabromo-1,1'-biphenyl 2,4,5,2',4',5'-hexabromobiphenyl PBB 153 PBB-153 PBB153 CHEBI:134050 2,2',4,4',5,5'-hexabromobiphenyl CAS:59080-40-9 ChemIDplus CAS:59080-40-9 NIST Chemistry WebBook PMID:15099731 Europe PMC PMID:18255122 Europe PMC PMID:19034893 Europe PMC PMID:23721586 Europe PMC PMID:27474862 Europe PMC PMID:27521000 Europe PMC Reaxys:1991358 Reaxys 2,2',4,4',5,5'-hexabromo[biphenyl] IUPAC 2,2'4,4',5,5'-hexabromo-1,1'-biphenyl ChemIDplus 2,4,5,2',4',5'-hexabromobiphenyl ChemIDplus PBB 153 ChemIDplus PBB-153 ChEBI PBB153 ChEBI A bromoalkane consisting of cyclododecane bearing six bromo substituents at positions 1, 2, 5, 6, 9 and 10. 0 C12H18Br6 InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2 DEIGXXQKDWULML-UHFFFAOYSA-N 641.693 635.65088 C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br CAS:3194-55-6 PMID:26184837 PMID:26629593 PMID:26633745 PMID:26718265 PMID:26739916 PMID:26786581 PMID:26810304 PMID:26824278 PMID:26876804 PMID:26924755 PMID:26929994 PMID:27262547 PMID:27401979 PMID:27414104 PMID:27434255 PMID:27494656 PMID:27542735 PMID:27579339 PMID:27694046 PMID:27717803 PMID:27741390 PMID:27745666 PMID:27814246 PMID:27830419 PMID:27915102 Reaxys:1911324 Wikipedia:Hexabromocyclododecane 1,2,5,6,9,10-hexabromocyclododecane chebi_ontology Cyclododecane, 1,2,5,6,9,10-hexabromo- HBCD Hexabromocyclododecane CHEBI:134063 1,2,5,6,9,10-hexabromocyclododecane CAS:3194-55-6 ChemIDplus PMID:26184837 Europe PMC PMID:26629593 Europe PMC PMID:26633745 Europe PMC PMID:26718265 Europe PMC PMID:26739916 Europe PMC PMID:26786581 Europe PMC PMID:26810304 Europe PMC PMID:26824278 Europe PMC PMID:26876804 Europe PMC PMID:26924755 Europe PMC PMID:26929994 Europe PMC PMID:27262547 Europe PMC PMID:27401979 Europe PMC PMID:27414104 Europe PMC PMID:27434255 Europe PMC PMID:27494656 Europe PMC PMID:27542735 Europe PMC PMID:27579339 Europe PMC PMID:27694046 Europe PMC PMID:27717803 Europe PMC PMID:27741390 Europe PMC PMID:27745666 Europe PMC PMID:27814246 Europe PMC PMID:27830419 Europe PMC PMID:27915102 Europe PMC Reaxys:1911324 Reaxys 1,2,5,6,9,10-hexabromocyclododecane IUPAC Cyclododecane, 1,2,5,6,9,10-hexabromo- SUBMITTER HBCD SUBMITTER Hexabromocyclododecane SUBMITTER Any metal oxide in which the metallic component is copper. chebi_ontology copper oxides CHEBI:134069 copper oxide copper oxides ChEBI An organofluorine compound containing only C-F bonds (no C-H bonds) and C-C bonds but also other heteroatoms (particularly other halogens, oxygen, and sulfur). Their properties represent a blend of fluorocarbons (containing only C-F and C-C bonds) and the parent functionalised organic species. Wikipedia:Perfluorinated_compound chebi_ontology PFC PFCs perfluorinated compounds CHEBI:134091 perfluorinated compound PFC ChEBI PFCs ChEBI perfluorinated compounds ChEBI An arsonium ion that is choline in which the central nitrogen has been replaced by arsenic. +1 C5H14AsO InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 ORLOBEXOFQEWFQ-UHFFFAOYSA-N 165.086 165.02551 [As+](CCO)(C)(C)C AGR:IND86035749 AGR:IND92025878 CAS:39895-81-3 HMDB:HMDB0032683 PMID:1580419 PMID:16746711 PMID:2363511 PMID:27277209 PMID:2953397 PMID:3288685 PMID:3349210 PMID:3435795 PMID:6642710 PMID:6719099 Reaxys:1736750 (2-hydroxyethyl)(trimethyl)arsanium chebi_ontology (2-Hydroxyethyl)trimethylarsonium CHEBI:134092 arsenocholine AGR:IND86035749 Europe PMC AGR:IND92025878 Europe PMC CAS:39895-81-3 ChemIDplus PMID:1580419 Europe PMC PMID:16746711 Europe PMC PMID:2363511 Europe PMC PMID:27277209 Europe PMC PMID:2953397 Europe PMC PMID:3288685 Europe PMC PMID:3349210 Europe PMC PMID:3435795 Europe PMC PMID:6642710 Europe PMC PMID:6719099 Europe PMC Reaxys:1736750 Reaxys (2-hydroxyethyl)(trimethyl)arsanium IUPAC (2-Hydroxyethyl)trimethylarsonium ChemIDplus An aromatic ether that is diphenyl ether carrying between 2 and 10 bromo substituents attached to the two benzene rings. PMID:11482396 PMID:12850095 PMID:15568467 PMID:17638602 PMID:17904639 PMID:19100622 PMID:19260376 PMID:20100501 PMID:20557935 PMID:24270005 Wikipedia:Polybrominated_diphenyl_ethers chebi_ontology PBDE polybrominated diphenyl ether polybrominated diphenyl ethers polybromodiphenyl ethers CHEBI:134094 polybromodiphenyl ether PMID:11482396 Europe PMC PMID:12850095 Europe PMC PMID:15568467 Europe PMC PMID:17638602 Europe PMC PMID:17904639 Europe PMC PMID:19100622 Europe PMC PMID:19260376 Europe PMC PMID:20100501 Europe PMC PMID:20557935 Europe PMC PMID:24270005 Europe PMC PBDE ChEBI polybrominated diphenyl ether ChEBI polybrominated diphenyl ethers ChEBI polybromodiphenyl ethers ChEBI Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. Wikipedia:Volatile_organic_compound chebi_ontology VOC VOCs volatile organic compounds CHEBI:134179 volatile organic compound VOC ChEBI VOCs ChEBI volatile organic compounds ChEBI An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups. -1 CH2O3SR 94.091 93.97246 C(S([O-])(=O)=O)* CHEBI:22318 MetaCyc:Alkanesulfonates chebi_ontology alkanesulfonate oxoanions alkanesulfonates an alkanesulfonate CHEBI:134249 alkanesulfonate oxoanion alkanesulfonate oxoanions ChEBI alkanesulfonates ChEBI an alkanesulfonate UniProt Any phenol carrying an additional methoxy substituent at the ortho-position. 0 C7H4O2R4 120.106 120.02113 C1(=C(C(=C(C(=C1*)*)*)OC)O)* CHEBI:13645 MetaCyc:Guaiacols chebi_ontology 1-hydroxy-2-methoxybenzenes 2-methoxyphenol 2-methoxyphenol derivative 2-methoxyphenol derivatives 2-methoxyphenols a guaiacol catechol monomethyl ether catechol monomethyl ethers o-methoxyphenol o-methoxyphenols ortho-methoxyphenol ortho-methoxyphenols CHEBI:134251 guaiacols 1-hydroxy-2-methoxybenzenes ChEBI 2-methoxyphenol ChEBI 2-methoxyphenol derivative SUBMITTER 2-methoxyphenol derivatives ChEBI 2-methoxyphenols ChEBI a guaiacol UniProt catechol monomethyl ether ChEBI catechol monomethyl ethers ChEBI o-methoxyphenol ChEBI o-methoxyphenols ChEBI ortho-methoxyphenol ChEBI ortho-methoxyphenols ChEBI An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.). 0 C3HOR5 53.040 53.00274 C(C(=C(*)*)*)(O)(*)* chebi_ontology allylic alcohols CHEBI:134361 allylic alcohol allylic alcohols ChEBI An aliphatic alcohol where the hydroxy carbon is beta to a double bond. 0 C4HOR7 65.050 65.00274 C(=C(*)*)(C(C(O)(*)*)(*)*)* chebi_ontology homoallylic alcohols CHEBI:134362 homoallylic alcohol homoallylic alcohols ChEBI An N-oxide where there are three organic groups bonded to the nitrogen atom. 0 NOR3 30.006 29.99799 *[N+](*)([O-])* Patent:EP0545208 Patent:EP0757983 Patent:EP0866058 Patent:EP1068179 Patent:US4206204 Patent:WO9950236 chebi_ontology tertiary amine oxides CHEBI:134363 tertiary amine oxide tertiary amine oxides ChEBI An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two hydrogens. 0 C3H3OR3 55.055 55.01839 C(C(=C(*)*)*)(O)([H])[H] chebi_ontology primary allylic alcohols CHEBI:134394 primary allylic alcohol primary allylic alcohols ChEBI An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to one other carbon and one hydrogen. 0 C3H2OR4 54.047 54.01056 C(C(=C(*)*)*)(O)([H])* chebi_ontology secondary allylic alcohols CHEBI:134396 secondary allylic alcohol secondary allylic alcohols ChEBI An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two other carbons (R4,R5 =/= H). 0 C3HOR5 53.040 53.00274 C(C(=C(*)*)*)(O)(*)* chebi_ontology tertiary allylic alcohols CHEBI:134397 tertiary allylic alcohol tertiary allylic alcohols ChEBI A class containing any titanium molecular entity that is an oxide of titanium. chebi_ontology titanium oxide CHEBI:134438 titanium oxides titanium oxide ChEBI A nanoparticle composed of any titanium oxide. chebi_ontology CHEBI:134441 titanium oxide nanoparticle chebi_ontology CHEBI:134688 naltrexone(1+) A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (R)-configuration. It is the active enantiomer of methadone and its hydrochloride salt is used to treat adults who are addicted to drugs such as heroin and morphine. 0 C21H27NO InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1 USSIQXCVUWKGNF-QGZVFWFLSA-N 309.453 309.20926 CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 CAS:125-58-6 Chemspider:20904 DrugBank:DB13515 Drug_Central:4586 KEGG:D08121 PMID:20308640 PMID:21371149 PMID:25669614 PMID:27974484 PMID:29393208 PMID:29902789 PMID:31842942 PMID:32302325 PMID:32586692 PMID:32903474 PMID:33345336 PMID:33423953 Reaxys:3213668 Wikipedia:Levomethadone (6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one chebi_ontology (-)-(R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone (-)-methadone (6R)-methadone (R)-(-)-methadone (R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone (R)-methadone L-6-(dimethylamino)-4,4-diphenyl-3-heptanone R-methadone l-methadone levometadona levomethadone levomethadonum CHEBI:136003 levomethadone CAS:125-58-6 ChemIDplus Drug_Central:4586 DrugCentral PMID:20308640 Europe PMC PMID:21371149 Europe PMC PMID:25669614 Europe PMC PMID:27974484 Europe PMC PMID:29393208 Europe PMC PMID:29902789 Europe PMC PMID:31842942 Europe PMC PMID:32302325 Europe PMC PMID:32586692 Europe PMC PMID:32903474 Europe PMC PMID:33345336 Europe PMC PMID:33423953 Europe PMC Reaxys:3213668 Reaxys (6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one IUPAC (-)-(R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone ChemIDplus (-)-methadone ChemIDplus (6R)-methadone ChemIDplus (R)-(-)-methadone ChEBI (R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone ChemIDplus (R)-methadone ChEBI L-6-(dimethylamino)-4,4-diphenyl-3-heptanone ChemIDplus R-methadone ChEBI l-methadone ChemIDplus levometadona WHO_MedNet levomethadone WHO_MedNet levomethadonum WHO_MedNet A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any diastereomer of jasmonic acid; major species at pH 7.3. -1 C12H17O3 InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3- ZNJFBWYDHIGLCU-ARJAWSKDSA-M 209.262 209.11832 C1(C(CCC1=O)CC([O-])=O)C/C=C\CC MetaCyc:Jasmonic-Acids {3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate chebi_ontology a jasmonate jasmonate anion CHEBI:136184 jasmonic acid anion {3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate IUPAC a jasmonate UniProt jasmonate anion ChEBI A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent. glycols chebi_ontology Glykol CHEBI:13643 glycol glycols IUPAC Glykol ChEBI Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds. 0 CHNO2R2 59.024 59.00073 C(*)(=[N+](O)[O-])* chebi_ontology aci-nitro compounds oxime N-oxide oxime N-oxides CHEBI:136622 aci-nitro compound aci-nitro compounds ChEBI oxime N-oxide ChEBI oxime N-oxides ChEBI A prodrug that, on administration, undergoes chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active pesticide for which it is a propesticide. AGR:IND84086009 PMID:26449612 chebi_ontology pro-pesticide pro-pesticides propesticides CHEBI:136643 propesticide AGR:IND84086009 Europe PMC PMID:26449612 Europe PMC pro-pesticide ChEBI pro-pesticides ChEBI propesticides ChEBI A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active insecticide for which it is a proinsecticide. AGR:IND20386178 AGR:IND84086011 AGR:IND89021681 AGR:IND92003154 PMID:16172027 PMID:26449612 PMID:27414472 PMID:27976502 chebi_ontology pro-insecticide pro-insecticides proinsecticides CHEBI:136644 proinsecticide AGR:IND20386178 Europe PMC AGR:IND84086011 Europe PMC AGR:IND89021681 Europe PMC AGR:IND92003154 Europe PMC PMID:16172027 Europe PMC PMID:26449612 Europe PMC PMID:27414472 Europe PMC PMID:27976502 Europe PMC pro-insecticide ChEBI pro-insecticides ChEBI proinsecticides ChEBI A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide. AGR:IND43789627 PMID:12232216 PMID:26449612 PMID:27280658 chebi_ontology pro-herbicide pro-herbicides proherbicides CHEBI:136646 proherbicide AGR:IND43789627 Europe PMC PMID:12232216 Europe PMC PMID:26449612 Europe PMC PMID:27280658 Europe PMC pro-herbicide ChEBI pro-herbicides ChEBI proherbicides ChEBI An organic heterobicyclic compound whose skeleton consists of a pyrazole ring ortho-fused to a diazepine ring. chebi_ontology pyrazolooxadiazepin pyrazolooxadiazepines pyrazolooxadiazepins CHEBI:136684 pyrazolooxadiazepine pyrazolooxadiazepin ChEBI pyrazolooxadiazepines ChEBI pyrazolooxadiazepins ChEBI A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H UQMGJOKDKOLIDP-UHFFFAOYSA-N 291.98684 289.92236 Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1 Beilstein:2051251 CAS:32598-13-3 KEGG:C11057 3,3',4,4'-tetrachloro-1,1'-biphenyl chebi_ontology 3,4,3',4'-Tetra coplanar polychlorinated biphenyl 3,4,3',4'-Tetrachlorobiphenyl PCB 77 CHEBI:1367 3,3',4,4'-tetrachlorobiphenyl Beilstein:2051251 Beilstein CAS:32598-13-3 ChemIDplus CAS:32598-13-3 KEGG COMPOUND CAS:32598-13-3 NIST Chemistry WebBook 3,3',4,4'-tetrachloro-1,1'-biphenyl IUPAC 3,4,3',4'-Tetra coplanar polychlorinated biphenyl ChemIDplus 3,4,3',4'-Tetrachlorobiphenyl KEGG_COMPOUND PCB 77 KEGG_COMPOUND A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted into the corresponding ethyl ester and in which the amidine group has been converted to the corresponding hydroxylamine. Tautomeric with the oxime form of ximelagatran. 0 C24H35N5O5 InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1 ZXIBCJHYVWYIKI-PZJWPPBQSA-N 473.566 473.26382 C1N([C@@](C1)(C(=O)NCC=2C=CC(C(NO)=N)=CC2)[H])C([C@H](NCC(=O)OCC)C3CCCCC3)=O PMID:28338626 Reaxys:9741940 ethyl ({(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl}amino)acetate chebi_ontology CHEBI:136702 ximelagatran (hydroxylamine form) PMID:28338626 Europe PMC Reaxys:9741940 Reaxys ethyl ({(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl}amino)acetate IUPAC An organic group derived from any 3-oxo-Delta(4)-steroid. 0 C6H6O 94.111 94.04186 C1=C(C*)*C(CC1=O)* chebi_ontology a 3-oxo-Delta4-steroid group CHEBI:136849 3-oxo-Delta(4)-steroid group a 3-oxo-Delta4-steroid group UniProt A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent. PMID:26449612 chebi_ontology pro-agents proagent proagents CHEBI:136859 pro-agent PMID:26449612 Europe PMC pro-agents ChEBI proagent ChEBI proagents ChEBI Any steroid that has beta-configuration at position 5. chebi_ontology 5beta steroids 5beta-steroid 5beta-steroids CHEBI:136889 5beta steroid 5beta steroids ChEBI 5beta-steroid ChEBI 5beta-steroids ChEBI A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. -1 C9H7O4 InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/p-1 BSYNRYMUTXBXSQ-UHFFFAOYSA-M 179.14948 179.03498 CC(=O)Oc1ccccc1C([O-])=O Beilstein:3906821 HMDB:HMDB0001879 MetaCyc:CPD-524 Reaxys:3906821 2-(acetyloxy)benzoate acetylsalicylate chebi_ontology CHEBI:13719 acetylsalicylate Beilstein:3906821 Beilstein Reaxys:3906821 Reaxys 2-(acetyloxy)benzoate IUPAC acetylsalicylate UniProt An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3. +1 H2NR2 16.023 16.01872 *[NH+](*)[H] MetaCyc:Secondary-Amines chebi_ontology a secondary amine secondary amine(1+) CHEBI:137419 secondary ammonium ion a secondary amine UniProt secondary amine(1+) ChEBI A quinoxaline pesticide that has herbicidal activity. chebi_ontology quinoxaline herbicides CHEBI:137504 quinoxaline herbicide quinoxaline herbicides ChEBI A 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid that has R configuration. An acetyl-CoA carboxylase inhibitor, it is used (generally as the corresponding ethyl or tefuryl ester proherbicides) for the control of annual and perennial grass weeds in sugar beet. 0 C17H13ClN2O4 InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1 ABOOPXYCKNFDNJ-SNVBAGLBSA-N 344.750 344.05638 C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@@H](C(O)=O)C CAS:94051-08-8 PMID:24964043 PMID:26971169 PMID:28692891 Pesticides:quizalofop-p Reaxys:8395822 (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid chebi_ontology (+)-quizalofop (+)-quizalofop-acid (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid (R)-(+)-quizalofop (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid (R)-quizalofop DPX-Y 6202-31 CHEBI:137507 quizalofop-P CAS:94051-08-8 Alan Wood's Pesticides CAS:94051-08-8 ChemIDplus PMID:24964043 Europe PMC PMID:26971169 Europe PMC PMID:28692891 Europe PMC Pesticides:quizalofop-p Alan Wood's Pesticides Reaxys:8395822 Reaxys (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid IUPAC (+)-quizalofop ChEBI (+)-quizalofop-acid ChEBI (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid Alan_Wood's_Pesticides (R)-(+)-quizalofop ChemIDplus (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid Alan_Wood's_Pesticides (R)-quizalofop ChEBI DPX-Y 6202-31 ChemIDplus A monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group. 0 C17H13ClN2O4 InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22) ABOOPXYCKNFDNJ-UHFFFAOYSA-N 344.750 344.05638 C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)OC(C(O)=O)C 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid chebi_ontology 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid CHEBI:137509 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid IUPAC 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid ChEBI A 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid that has S configuration. It is the (inactive) enantiomer of the herbicide quizalofop-P. 0 C17H13ClN2O4 InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m0/s1 ABOOPXYCKNFDNJ-JTQLQIEISA-N 344.750 344.05638 C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@H](C(O)=O)C (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid chebi_ontology (-)-quizalofop (-)-quizalofop-acid (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid CHEBI:137513 (S)-quizalofop (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid IUPAC (-)-quizalofop ChEBI (-)-quizalofop-acid ChEBI (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid ChEBI An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of 11beta-hydroxysteroid dehydrogenase (EC 1.1.1.146). chebi_ontology 11beta-hydroxy steroid dehydrogenase inhibitor 11beta-hydroxy steroid dehydrogenase inhibitors 11beta-hydroxysteroid dehydrogenase inhibitor 11beta-hydroxysteroid dehydrogenase inhibitors 11beta-hydroxysteroid dehydrogenase type 1 inhibitor 11beta-hydroxysteroid dehydrogenase type 1 inhibitors 11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitor 11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitors EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitors EC 1.1.1.146 inhibitor EC 1.1.1.146 inhibitors beta-hydroxysteroid dehydrogenase inhibitor beta-hydroxysteroid dehydrogenase inhibitors corticosteroid 11-reductase inhibitor corticosteroid 11-reductase inhibitors corticosteroid 11beta-dehydrogenase inhibitor corticosteroid 11beta-dehydrogenase inhibitors dehydrogenase, 11beta-hydroxy steroid inhibitor dehydrogenase, 11beta-hydroxy steroid inhibitors CHEBI:137626 EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor 11beta-hydroxy steroid dehydrogenase inhibitor ChEBI 11beta-hydroxy steroid dehydrogenase inhibitors ChEBI 11beta-hydroxysteroid dehydrogenase inhibitor ChEBI 11beta-hydroxysteroid dehydrogenase inhibitors ChEBI 11beta-hydroxysteroid dehydrogenase type 1 inhibitor ChEBI 11beta-hydroxysteroid dehydrogenase type 1 inhibitors ChEBI 11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitor ChEBI 11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitors ChEBI EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitors ChEBI EC 1.1.1.146 inhibitor ChEBI EC 1.1.1.146 inhibitors ChEBI beta-hydroxysteroid dehydrogenase inhibitor ChEBI beta-hydroxysteroid dehydrogenase inhibitors ChEBI corticosteroid 11-reductase inhibitor ChEBI corticosteroid 11-reductase inhibitors ChEBI corticosteroid 11beta-dehydrogenase inhibitor ChEBI corticosteroid 11beta-dehydrogenase inhibitors ChEBI dehydrogenase, 11beta-hydroxy steroid inhibitor ChEBI dehydrogenase, 11beta-hydroxy steroid inhibitors ChEBI An ethyl ester resulting from the formal condensation of the carboxy group of 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid with ethanol. 0 C19H17ClN2O4 InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3 OSUHJPCHFDQAIT-UHFFFAOYSA-N 372.803 372.08768 C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)OC(C(OCC)=O)C PPDB:582 ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate chebi_ontology ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate CHEBI:137937 ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate IUPAC ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate ChEBI An ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate that has R configuration. A proherbicide for quizalofop-P, it is used to control annual and perennial grass weeds in a variety of crops, including potatoes, sugar beet, peanuts, cotton and flax. 0 C19H17ClN2O4 InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1 OSUHJPCHFDQAIT-GFCCVEGCSA-N 372.803 372.08768 C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@@H](C(OCC)=O)C CAS:100646-51-3 PMID:17090107 PMID:17938739 PMID:24964043 PMID:26139867 PMID:26971169 PMID:27987479 PMID:28027504 PMID:28027508 PMID:28490371 PPDB:583 Pesticides:derivatives/quizalofop-p-ethyl Reaxys:13263419 Reaxys:9648298 ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate chebi_ontology (+)-quizalofop-ethyl ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate CHEBI:137938 quizalofop-P-ethyl CAS:100646-51-3 Alan Wood's Pesticides CAS:100646-51-3 ChemIDplus CAS:100646-51-3 NIST Chemistry WebBook PMID:17090107 Europe PMC PMID:17938739 Europe PMC PMID:24964043 Europe PMC PMID:26139867 Europe PMC PMID:26971169 Europe PMC PMID:27987479 Europe PMC PMID:28027504 Europe PMC PMID:28027508 Europe PMC PMID:28490371 Europe PMC Pesticides:derivatives/quizalofop-p-ethyl Alan Wood's Pesticides Reaxys:13263419 Reaxys Reaxys:9648298 Reaxys ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate IUPAC (+)-quizalofop-ethyl ChEBI ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate Alan_Wood's_Pesticides An ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate that has S configuration. 0 C19H17ClN2O4 InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m0/s1 OSUHJPCHFDQAIT-LBPRGKRZSA-N 372.803 372.08768 C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@H](C(OCC)=O)C PMID:22566128 ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate chebi_ontology ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate CHEBI:137939 (S)-quizalofop-ethyl PMID:22566128 Europe PMC ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate IUPAC ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate ChEBI A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. 0 C3H6Cl2 InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2 YHRUOJUYPBUZOS-UHFFFAOYSA-N 112.986 111.98466 ClCCCCl AGR:IND23328194 CAS:142-28-9 PMID:14709629 PMID:28416262 PMID:9008720 Patent:EP1067105 Reaxys:505960 1,3-dichloropropane chebi_ontology 1,3-DCP CH2ClCH2CH2Cl Cl(CH2)3Cl ClCH2CH2CH2Cl trimethylene dichloride CHEBI:137978 1,3-dichloropropane AGR:IND23328194 Europe PMC CAS:142-28-9 ChemIDplus CAS:142-28-9 NIST Chemistry WebBook PMID:14709629 Europe PMC PMID:28416262 Europe PMC PMID:9008720 Europe PMC Reaxys:505960 Reaxys 1,3-dichloropropane IUPAC 1,3-dichloropropane UniProt 1,3-DCP ChEBI CH2ClCH2CH2Cl ChEBI Cl(CH2)3Cl ChEBI ClCH2CH2CH2Cl ChEBI trimethylene dichloride ChemIDplus An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included. Wikipedia:Metalloid chebi_ontology metalloid metalloids CHEBI:137980 metalloid atom metalloid ChEBI metalloids ChEBI An organic cation obtained by protonation of the amino group of any tertiary amino compound. +1 HNR3 15.015 15.01090 [NH+](*)(*)* chebi_ontology a tertiary amine tertiary amine(1+) tertiary ammonium ions CHEBI:137982 tertiary ammonium ion a tertiary amine UniProt tertiary amine(1+) ChEBI tertiary ammonium ions ChEBI An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. 0 C10H14N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 SNICXCGAKADSCV-UHFFFAOYSA-N 162.232 162.11570 C=1C=C(C2N(CCC2)C)C=NC1 3-(1-methylpyrrolidin-2-yl)pyridine chebi_ontology CHEBI:138000 3-(1-methylpyrrolidin-2-yl)pyridine 3-(1-methylpyrrolidin-2-yl)pyridine IUPAC A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 2', and 4 positions have been replaced by bromines. 0 C12H7Br3O InChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H VYBFILXLBMWOLI-UHFFFAOYSA-N 406.894 403.80470 O(C=1C=CC=CC1Br)C=2C(=CC(=CC2)Br)Br CAS:147217-75-2 PMID:23959216 PMID:25463252 PMID:26791419 PMID:26809479 PMID:27836138 PMID:28013469 PMID:28167443 PMID:28293827 Reaxys:8410171 2-bromophenyl 2,4-dibromophenyl ether chebi_ontology 2,2',4-triBDE 2,2',4-tribromodiphenyl ether 2,4-dibromo-1-(2-bromophenoxy)benzene 2,4-dibromophenyl 2-bromophenyl ether 2-bromophenyl(2,4-dibromophenyl) ether BDE 17 BDE-17 PBDE 17 PBDE-17 CHEBI:138001 2-bromophenyl 2,4-dibromophenyl ether CAS:147217-75-2 ChemIDplus PMID:23959216 Europe PMC PMID:25463252 Europe PMC PMID:26791419 Europe PMC PMID:26809479 Europe PMC PMID:27836138 Europe PMC PMID:28013469 Europe PMC PMID:28167443 Europe PMC PMID:28293827 Europe PMC Reaxys:8410171 Reaxys 2-bromophenyl 2,4-dibromophenyl ether IUPAC 2,2',4-triBDE ChEBI 2,2',4-tribromodiphenyl ether ChemIDplus 2,4-dibromo-1-(2-bromophenoxy)benzene ChemIDplus 2,4-dibromophenyl 2-bromophenyl ether ChemIDplus 2-bromophenyl(2,4-dibromophenyl) ether ChemIDplus BDE 17 ChEBI BDE-17 ChEBI PBDE 17 ChemIDplus PBDE-17 ChEBI Any compound that can disrupt the functions of the endocrine (hormone) system PMID:27929035 PMID:28356401 PMID:28526231 Wikipedia:Endocrine_disruptor chebi_ontology endocrine disrupting chemical endocrine disrupting chemicals endocrine disrupting compound endocrine disrupting compounds endocrine disruptors endocrine-disrupting chemical endocrine-disrupting chemicals hormonally active agent hormonally active agents CHEBI:138015 endocrine disruptor PMID:27929035 Europe PMC PMID:28356401 Europe PMC PMID:28526231 Europe PMC endocrine disrupting chemical ChEBI endocrine disrupting chemicals ChEBI endocrine disrupting compound ChEBI endocrine disrupting compounds ChEBI endocrine disruptors ChEBI endocrine-disrupting chemical ChEBI endocrine-disrupting chemicals ChEBI hormonally active agent ChEBI hormonally active agents ChEBI A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, and 4' positions have been replaced by bromines. 0 C12H7Br3O InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H UPNBETHEXPIWQX-UHFFFAOYSA-N 406.894 403.80470 O(C=1C=CC(=CC1Br)Br)C=2C=CC(=CC2)Br CAS:41318-75-6 PMID:22266365 PMID:24191540 PMID:24191731 PMID:26743650 PMID:27573363 PMID:28293827 PMID:28436496 PMID:28557710 Reaxys:2530803 4-bromophenyl 2,4-dibromophenyl ether chebi_ontology 2,4,4'-triBDE 2,4,4'-tribrominated diphenyl ether 2,4,4'-tribromodiphenyl ether 2,4-dibromo-1-(4-bromophenoxy)benzene BDE-28 BDE28 PBDE 28 PBDE-28 tribromodiphenyl ether 28 CHEBI:138036 4-bromophenyl 2,4-dibromophenyl ether CAS:41318-75-6 ChemIDplus CAS:41318-75-6 NIST Chemistry WebBook PMID:22266365 Europe PMC PMID:24191540 Europe PMC PMID:24191731 Europe PMC PMID:26743650 Europe PMC PMID:27573363 Europe PMC PMID:28293827 Europe PMC PMID:28436496 Europe PMC PMID:28557710 Europe PMC Reaxys:2530803 Reaxys 4-bromophenyl 2,4-dibromophenyl ether IUPAC 2,4,4'-triBDE ChEBI 2,4,4'-tribrominated diphenyl ether ChEBI 2,4,4'-tribromodiphenyl ether ChemIDplus 2,4-dibromo-1-(4-bromophenoxy)benzene ChEBI BDE-28 ChemIDplus BDE28 ChEBI PBDE 28 ChemIDplus PBDE-28 ChEBI tribromodiphenyl ether 28 ChemIDplus A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 3', and 4' positions have been replaced by bromines. 0 C12H6Br4O InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H DHUMTYRHKMCVAG-UHFFFAOYSA-N 485.790 481.71522 O(C=1C=CC(=CC1Br)Br)C=2C=CC(=C(C2)Br)Br CAS:189084-61-5 PMID:24290225 PMID:26194239 PMID:26942685 PMID:28013469 PMID:28293827 Reaxys:8417297 1,2-dibromo-4-(2,4-dibromophenoxy)benzene chebi_ontology 2,3',4,4'-tetra-BDE 2,3',4,4'-tetrabromodiphenyl ether 2,4,3',4`-tetrabromodiphenyl ether 2,4-dibromo-1-(3,4-dibromophenoxy)benzene BDE 66 BDE-66 PBDE 66 PBDE-66 CHEBI:138038 2,4-dibromophenyl 3,4-dibromophenyl ether CAS:189084-61-5 ChemIDplus CAS:189084-61-5 NIST Chemistry WebBook PMID:24290225 Europe PMC PMID:26194239 Europe PMC PMID:26942685 Europe PMC PMID:28013469 Europe PMC PMID:28293827 Europe PMC Reaxys:8417297 Reaxys 1,2-dibromo-4-(2,4-dibromophenoxy)benzene IUPAC 2,3',4,4'-tetra-BDE ChEBI 2,3',4,4'-tetrabromodiphenyl ether ChemIDplus 2,4,3',4`-tetrabromodiphenyl ether ChEBI 2,4-dibromo-1-(3,4-dibromophenoxy)benzene ChEBI BDE 66 ChEBI BDE-66 ChEBI PBDE 66 ChEBI PBDE-66 ChEBI A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 3, 4, 2', and 4' positions have been replaced by bromines. 0 C12H5Br5O InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H DMLQSUZPTTUUDP-UHFFFAOYSA-N 564.686 559.62573 O(C=1C=CC(=C(C1Br)Br)Br)C=2C=CC(=CC2Br)Br CAS:182346-21-0 HMDB:HMDB0037516 PMID:18762292 PMID:21772022 PMID:26785211 PMID:26942685 PMID:28013469 Reaxys:7538430 2,4-dibromophenyl 2,3,4-tribromophenyl ether chebi_ontology 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene 2,2',3,4,4'-penta-BDE 2,2',3,4,4'-pentabromodiphenyl ether BDE 85 BDE-85 PBDE 85 PBDE-85 CHEBI:138064 2,4-dibromophenyl 2,3,4-tribromophenyl ether CAS:182346-21-0 ChemIDplus PMID:18762292 Europe PMC PMID:21772022 Europe PMC PMID:26785211 Europe PMC PMID:26942685 Europe PMC PMID:28013469 Europe PMC Reaxys:7538430 Reaxys 2,4-dibromophenyl 2,3,4-tribromophenyl ether IUPAC 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene ChEBI 2,2',3,4,4'-penta-BDE ChEBI 2,2',3,4,4'-pentabromodiphenyl ether ChemIDplus BDE 85 ChemIDplus BDE-85 ChEBI PBDE 85 ChemIDplus PBDE-85 ChEBI A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 6, 2', and 4' positions have been replaced by bromines. 0 C12H5Br5O InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H NSKIRYMHNFTRLR-UHFFFAOYSA-N 564.686 559.62573 O(C=1C(=CC(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br CAS:189084-64-8 HMDB:HMDB0037516 PMID:16507514 PMID:21390402 PMID:22884212 PMID:23302053 PMID:25629761 PMID:26906616 PMID:27068391 PMID:27234317 PMID:28395225 PMID:28557710 Reaxys:8152285 2,4-dibromophenyl 2,4,6-tribromophenyl ether chebi_ontology 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene 2,2',4,4',6-brominated diphenyl ether BDE 100 BDE-100 BDE100 PBDE 100 PBDE-100 PBDE100 pentabrominated diphenyl ether 100 CHEBI:138065 2,4-dibromophenyl 2,4,6-tribromophenyl ether CAS:189084-64-8 ChemIDplus PMID:16507514 Europe PMC PMID:21390402 Europe PMC PMID:22884212 Europe PMC PMID:23302053 Europe PMC PMID:25629761 Europe PMC PMID:26906616 Europe PMC PMID:27068391 Europe PMC PMID:27234317 Europe PMC PMID:28395225 Europe PMC PMID:28557710 Europe PMC Reaxys:8152285 Reaxys 2,4-dibromophenyl 2,4,6-tribromophenyl ether IUPAC 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene ChemIDplus 2,2',4,4',6-brominated diphenyl ether ChemIDplus BDE 100 ChemIDplus BDE-100 ChemIDplus BDE100 ChEBI PBDE 100 ChemIDplus PBDE-100 ChEBI PBDE100 ChEBI pentabrominated diphenyl ether 100 ChemIDplus A perfluorinated compound that is perfluorooctane in which one of the terminal fluorines has been replace by a sulfamoyl group. 0 C8H2F17NO2S InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28) RRRXPPIDPYTNJG-UHFFFAOYSA-N 499.146 498.95348 C(C(C(C(C(C(C(C(S(N)(=O)=O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F CAS:754-91-6 PMID:16720684 PMID:16786681 PMID:17295423 PMID:17384769 PMID:18007991 PMID:20951402 PMID:25222623 PMID:26053759 PMID:27239709 PMID:27276029 PMID:28092384 PMID:28350446 Reaxys:1813858 Wikipedia:Perfluorooctanesulfonamide 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide chebi_ontology PFOSA heptadecafluorooctanesulphonamide perfluoroctylsulfonamide perfluorooctane sulfonamide perfluorooctanesulfonic acid amide CHEBI:138089 perfluorooctanesulfonamide CAS:754-91-6 ChemIDplus PMID:16720684 Europe PMC PMID:16786681 Europe PMC PMID:17295423 Europe PMC PMID:17384769 Europe PMC PMID:18007991 Europe PMC PMID:20951402 Europe PMC PMID:25222623 Europe PMC PMID:26053759 Europe PMC PMID:27239709 Europe PMC PMID:27276029 Europe PMC PMID:28092384 Europe PMC PMID:28350446 Europe PMC Reaxys:1813858 Reaxys 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide IUPAC PFOSA ChEBI heptadecafluorooctanesulphonamide ChemIDplus perfluoroctylsulfonamide ChemIDplus perfluorooctane sulfonamide ChEBI perfluorooctanesulfonic acid amide ChemIDplus A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water. Wikipedia:Mineral_acid chebi_ontology inorganic acids mineral acid mineral acids CHEBI:138103 inorganic acid inorganic acids ChEBI mineral acid ChEBI mineral acids ChEBI Any C21-steroid carrying a hydroxy substituent at the 17alpha-position. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure. 0 C21H36O InChI=1S/C21H36O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h15-18,22H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,21-/m1/s1 JSIVWCLRCGAVHN-ILZKQPLKSA-N 304.511 304.27662 C1CCCC2C1(C3C(CC2)C4C(CC3)([C@](CC4)(CC)O)C)C MetaCyc:17a-hydroxy-C21-steroids chebi_ontology a 17alpha-hydroxy-C21-steroid CHEBI:138141 17alpha-hydroxy-C21-steroid MetaCyc:17a-hydroxy-C21-steroids SUBMITTER a 17alpha-hydroxy-C21-steroid UniProt An organic nitrogen anion resulting from the removal of a proton from the N-sulfonylcarboxamide moiety of fomesafen. -1 C15H9ClF3N2O6S InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)/p-1 BGZZWXTVIYUUEY-UHFFFAOYSA-M 437.757 436.98274 C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)[N-]S(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F {5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl}(methylsulfonyl)azanide chebi_ontology CHEBI:138163 fomesafen(1-) {5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl}(methylsulfonyl)azanide IUPAC Any pathway inhibitor that acts on the carotenoid biosynthesis pathway. chebi_ontology carotenogenesis inhibitor carotenogenesis inhibitors carotenoid biosynthesis inhibitors carotenoid-biosynthesis inhibitor carotenoid-biosynthesis inhibitors CHEBI:138208 carotenoid biosynthesis inhibitor carotenogenesis inhibitor ChEBI carotenogenesis inhibitors ChEBI carotenoid biosynthesis inhibitors ChEBI carotenoid-biosynthesis inhibitor ChEBI carotenoid-biosynthesis inhibitors ChEBI Any member of a group of hydroxy steroids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration, while in lower vertebrates, some bile acids, known as allo-bile acids, have 5alpha-configuration. chebi_ontology CHEBI:138366 bile acids An apoprotein is a protein devoid of its characteristic prosthetic group or metal. KEGG:C16240 apoprotein chebi_ontology apoproteins CHEBI:13850 apoprotein apoprotein IUPAC apoproteins ChEBI An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any dialkyl phosphate; major species at pH 7.3. -1 O4PR2 94.971 94.95342 P(O*)(O*)([O-])=O chebi_ontology a dialkyl phosphate CHEBI:138518 dialkyl phosphate(1-) a dialkyl phosphate UniProt A jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-jasmonic acid; major species at pH 7.3. -1 C12H17O3 InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m0/s1 ZNJFBWYDHIGLCU-CMIOBCHKSA-M 209.262 209.11832 C(=O)([O-])C[C@H]1[C@@H](C(CC1)=O)C/C=C\CC PMID:11287667 Pubchem:7251180 {(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetate chebi_ontology (1S,2S)-jasmonic acid anion (3S,7S)-jasmonate CHEBI:138625 (+)-jasmonic acid anion PMID:11287667 SUBMITTER Pubchem:7251180 SUBMITTER {(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetate IUPAC (1S,2S)-jasmonic acid anion ChEBI (3S,7S)-jasmonate UniProt Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa). Wikipedia:https://en.wikipedia.org/wiki/Gas chebi_ontology gas molecular entities gaseous molecular entities gaseous molecular entity CHEBI:138675 gas molecular entity gas molecular entities ChEBI gaseous molecular entities ChEBI gaseous molecular entity ChEBI Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). chebi_ontology autophagocytosis inducer autophagocytosis inducers autophagy inducers CHEBI:138880 autophagy inducer autophagocytosis inducer ChEBI autophagocytosis inducers ChEBI autophagy inducers ChEBI Any carotenoid derivative with an beta-end group 0 C19H27R 255.418 255.21128 C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/*)/C)/C MetaCyc:Carotenoid-beta-end-group chebi_ontology a carotenoid beta-end derivative CHEBI:139120 carotenoid beta-end derivative carotenoid beta-end group MetaCyc:Carotenoid-beta-end-group SUBMITTER a carotenoid beta-end derivative UniProt A nitroalkane in which the nitro group, -NO2, is attached to a saturated carbon atom which has two other carbon atoms attached to it. Major microspecies at pH 7.3. 0 CHNO2R2 59.024 59.00073 C([N+]([O-])=O)(*)* PMID:15609931 PMID:1719412 PMID:22543734 PMID:7762004 PMID:9437534 chebi_ontology a secondary nitroalkane CHEBI:139218 secondary nitroalkane PMID:15609931 Europe PMC PMID:1719412 Europe PMC PMID:22543734 Europe PMC PMID:7762004 Europe PMC PMID:9437534 Europe PMC a secondary nitroalkane UniProt An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. 0 C12H18O3 InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1 ZNJFBWYDHIGLCU-CMIOBCHKSA-N 210.270 210.12559 C(=O)(O)C[C@H]1[C@@H](C(CC1)=O)C/C=C\CC Reaxys:2415413 {(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetic acid chebi_ontology (1S,2S)-jasmonic acid CHEBI:139300 (+)-jasmonic acid Reaxys:2415413 Reaxys {(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetic acid IUPAC (1S,2S)-jasmonic acid ChEBI An agent that inhibits the passage of cations through the transient receptor potential (TRP) channels. PMID:17445088 PMID:21198543 PMID:21607648 PMID:22308955 Wikipedia:Transient_receptor_potential_channel chebi_ontology TRP channel blockers transient receptor potential channel blocker transient receptor potential channel blockers CHEBI:139361 TRP channel blocker PMID:17445088 Europe PMC PMID:21198543 Europe PMC PMID:21607648 Europe PMC PMID:22308955 Europe PMC TRP channel blockers ChEBI transient receptor potential channel blocker ChEBI transient receptor potential channel blockers ChEBI -1 CH2NO2 InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1 KXDHJXZQYSOELW-UHFFFAOYSA-M 60.03212 60.00910 NC([O-])=O Beilstein:3903503 CAS:302-11-4 Gmelin:239604 carbamate chebi_ontology Carbamat Karbamat carbamate ion carbamic acid, ion(1-) CHEBI:13941 carbamate Beilstein:3903503 Beilstein CAS:302-11-4 ChemIDplus Gmelin:239604 Gmelin carbamate IUPAC carbamate UniProt Carbamat ChEBI Karbamat ChEBI carbamate ion ChemIDplus carbamic acid, ion(1-) ChemIDplus A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. chebi_ontology sensitisers sensitizer sensitizers CHEBI:139492 sensitiser sensitisers ChEBI sensitizer ChEBI sensitizers ChEBI An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9. Wikipedia:Enoyl-acyl_carrier_protein_reductase chebi_ontology EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors EC 1.3.1.9 inhibitor EC 1.3.1.9 inhibitors ENR inhibitor ENR inhibitors NADH-enoyl acyl carrier protein reductase inhibitor NADH-enoyl acyl carrier protein reductase inhibitors NADH-specific enoyl-ACP reductase inhibitor NADH-specific enoyl-ACP reductase inhibitors acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors enoyl-ACP reductase inhibitor enoyl-ACP reductase inhibitors enoyl-[acyl carrier protein] reductase inhibitor enoyl-[acyl carrier protein] reductase inhibitors CHEBI:139512 EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors ChEBI EC 1.3.1.9 inhibitor ChEBI EC 1.3.1.9 inhibitors ChEBI ENR inhibitor ChEBI ENR inhibitors ChEBI NADH-enoyl acyl carrier protein reductase inhibitor ChEBI NADH-enoyl acyl carrier protein reductase inhibitors ChEBI NADH-specific enoyl-ACP reductase inhibitor ChEBI NADH-specific enoyl-ACP reductase inhibitors ChEBI acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor ChEBI acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors ChEBI enoyl-ACP reductase inhibitor ChEBI enoyl-ACP reductase inhibitors ChEBI enoyl-[acyl carrier protein] reductase inhibitor ChEBI enoyl-[acyl carrier protein] reductase inhibitors ChEBI An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety. PMID:15326516 PMID:19908854 PMID:20382022 PMID:23295224 chebi_ontology alpha-hydroxy ketones alpha-hydroxy-ketone alpha-hydroxy-ketones alpha-hydroxyketone alpha-hydroxyketones CHEBI:139588 alpha-hydroxy ketone PMID:15326516 Europe PMC PMID:19908854 Europe PMC PMID:20382022 Europe PMC PMID:23295224 Europe PMC alpha-hydroxy ketones ChEBI alpha-hydroxy-ketone ChEBI alpha-hydroxy-ketones ChEBI alpha-hydroxyketone ChEBI alpha-hydroxyketones ChEBI A carboxylic acid anion obtained by deprotonation of any retinoid carboxy group. chebi_ontology retinoate retinoates retinoid anions retinoid carboxylate anion retinoid carboxylate anions retinoid carboxylic acid anion retinoid carboxylic acid anions CHEBI:139589 retinoid anion retinoate ChEBI retinoates ChEBI retinoid anions ChEBI retinoid carboxylate anion ChEBI retinoid carboxylate anions ChEBI retinoid carboxylic acid anion ChEBI retinoid carboxylic acid anions ChEBI An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group. 0 C2H3O2R 59.044 59.01330 *C(C(O)([H])[H])=O chebi_ontology primary alpha-hydroxy ketones primary alpha-hydroxy-ketone primary alpha-hydroxy-ketones primary alpha-hydroxyketone primary alpha-hydroxyketones CHEBI:139590 primary alpha-hydroxy ketone primary alpha-hydroxy ketones ChEBI primary alpha-hydroxy-ketone ChEBI primary alpha-hydroxy-ketones ChEBI primary alpha-hydroxyketone ChEBI primary alpha-hydroxyketones ChEBI An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups. 0 C2HO2R3 57.028 56.99765 C(C(=O)*)(O)(*)* chebi_ontology tertiary alpha-hydroxy ketones tertiary alpha-hydroxy-ketone tertiary alpha-hydroxy-ketones tertiary alpha-hydroxyketone tertiary alpha-hydroxyketones CHEBI:139592 tertiary alpha-hydroxy ketone tertiary alpha-hydroxy ketones ChEBI tertiary alpha-hydroxy-ketone ChEBI tertiary alpha-hydroxy-ketones ChEBI tertiary alpha-hydroxyketone ChEBI tertiary alpha-hydroxyketones ChEBI An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of any phenol. 0 C8H3O2R5 131.109 131.01330 C1(=C(C(=C(C(=C1*)*)*)*)*)OC(=O)C MetaCyc:Phenyl-Acetates chebi_ontology a phenyl acetate phenyl acetate derivative phenyl acetate derivatives CHEBI:140310 phenyl acetates a phenyl acetate UniProt phenyl acetate derivative ChEBI phenyl acetate derivatives ChEBI A compound that contains three ketone functionalities. chebi_ontology triketones CHEBI:140322 triketone triketones ChEBI A triketone in which the each ketone functionality is located beta- to the other two. chebi_ontology beta-triketones CHEBI:140323 beta-triketone beta-triketones ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2. 0 CH2NOR 44.033 44.01364 N(C(*)=O)([H])[H] chebi_ontology primary carboxamides CHEBI:140324 primary carboxamide primary carboxamides ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1). 0 CHNOR2 43.025 43.00581 N(C(*)=O)(*)[H] chebi_ontology secondary carboxamides CHEBI:140325 secondary carboxamide secondary carboxamides ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2). 0 CNOR3 42.017 41.99799 N(C(*)=O)(*)* chebi_ontology tertiary carboxamides CHEBI:140326 tertiary carboxamide tertiary carboxamides ChEBI Any polyunsaturated fatty acid carrying one or more hydroxy substituents. chebi_ontology CHEBI:140345 hydroxy polyunsaturated fatty acid A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol. -1 C6H2Cl3O InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1 LINPIYWFGCPVIE-UHFFFAOYSA-M 196.439 194.91767 C=1C(=C(C(=CC1Cl)Cl)[O-])Cl MetaCyc:TRICHLOROPHENOL PMID:8680829 2,4,6-trichlorophenolate chebi_ontology 2,4,6-trichlorophenol CHEBI:140426 2,4,6-trichlorophenolate PMID:8680829 Europe PMC 2,4,6-trichlorophenolate IUPAC 2,4,6-trichlorophenol UniProt An agonist that binds to and deactivates the tropomyosin-related kinase B (TrkB) receptor, the main signaling receptor of the neurotrophin brain-derived neurotrophic factor (BDNF). Wikipedia:Tropomyosin_receptor_kinase_B chebi_ontology TrkB receptor agonist TrkB receptor agonists tropomyosin-related kinase B receptor agonists CHEBI:140489 tropomyosin-related kinase B receptor agonist TrkB receptor agonist ChEBI TrkB receptor agonists ChEBI tropomyosin-related kinase B receptor agonists ChEBI kaolin Any saturated fatty acid containing 4 carbons. 0 CHO2R 45.017 44.99765 *C(O)=O chebi_ontology CHEBI:140601 fatty acid 4:0 An inhibitor of any of the glioma-associated oncogene (GLI) proteins. chebi_ontology GLI inhibitor GLI inhibitors glioma-associated oncogene inhibitors CHEBI:140922 glioma-associated oncogene inhibitor GLI inhibitor ChEBI GLI inhibitors ChEBI glioma-associated oncogene inhibitors ChEBI 0 C18H32O2 280.452 280.24023 C(=O)(O)* chebi_ontology FA 18:2 FA(18:2) CHEBI:140949 fatty acid 18:2 FA 18:2 ChEBI FA(18:2) ChEBI A mitochondrial cytochrome-bc1 complex inhibitor that acts at the Quinone 'outer' (Qo) binding site of the cytochrome-bc1 complex. Wikipedia:QoI chebi_ontology QOI QOIs Qo inhibitor Qo inhibitors quinone outside inhibitors CHEBI:141153 quinone outside inhibitor QOI ChEBI QOIs ChEBI Qo inhibitor ChEBI Qo inhibitors ChEBI quinone outside inhibitors ChEBI An organic hydroxy compound resulting from the hydrolysis of the the pivalate ester group of the proherbicide pinoxaden. 0 C18H24N2O3 InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,21H,4-9H2,1-3H3 YWZBGRYDSPLRHR-UHFFFAOYSA-N 316.395 316.17869 OC1=C(C(=O)N2CCOCCN21)C3=C(CC)C=C(C)C=C3CC Reaxys:31687354 8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one chebi_ontology CHEBI:141347 pinoxaden acid Reaxys:31687354 Reaxys 8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one IUPAC A member of the class of benzoates resuting from the deprotonation of the carboxy group of 3,6-dichloro-2-methoxybenzoic acid (dicamba). Major microspecies at pH 7.3 -1 C8H5Cl2O3 InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)/p-1 IWEDIXLBFLAXBO-UHFFFAOYSA-M 220.030 218.96212 C1(=CC=C(C(=C1OC)C([O-])=O)Cl)Cl MetaCyc:CPD-11248 3,6-dichloro-2-methoxybenzoate chebi_ontology dicamba(1-) CHEBI:141349 3,6-dichloro-2-methoxybenzoate 3,6-dichloro-2-methoxybenzoate IUPAC 3,6-dichloro-2-methoxybenzoate UniProt dicamba(1-) ChEBI A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. 0 C10H19O6PS2 InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N 330.361 330.03607 C(C(OCC)=O)C(C(OCC)=O)SP(OC)(OC)=S Reaxys:5381514 diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate chebi_ontology CHEBI:141474 diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate Reaxys:5381514 Reaxys diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate IUPAC A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the R-enantiomer of malathion. 0 C10H19O6PS2 InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m1/s1 JXSJBGJIGXNWCI-MRVPVSSYSA-N 330.361 330.03607 C(C(OCC)=O)[C@H](C(OCC)=O)SP(OC)(OC)=S diethyl (2R)-2-[(dimethoxyphosphorothioyl)thio]succinate chebi_ontology (R)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate CHEBI:141475 (R)-malathion diethyl (2R)-2-[(dimethoxyphosphorothioyl)thio]succinate IUPAC (R)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate ChEBI A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the S-enantiomer of malathion. 0 C10H19O6PS2 InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m0/s1 JXSJBGJIGXNWCI-QMMMGPOBSA-N 330.361 330.03607 C(C(OCC)=O)[C@@H](C(OCC)=O)SP(OC)(OC)=S Reaxys:5381515 diethyl (2S)-2-[(dimethoxyphosphorothioyl)thio]succinate chebi_ontology (S)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate CHEBI:141476 (S)-malathion Reaxys:5381515 Reaxys diethyl (2S)-2-[(dimethoxyphosphorothioyl)thio]succinate IUPAC (S)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate ChEBI Any member of the class of biphenyls that has one or more carboxy groups attached to the biphenyl skeleton. chebi_ontology carboxybiphenyls CHEBI:141493 carboxybiphenyl carboxybiphenyls ChEBI An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers. 0 CNOR5 42.017 41.99799 N(C(O*)(*)*)(*)* chebi_ontology alpha-amino ether alpha-amino ethers hemiaminal ethers CHEBI:141498 hemiaminal ether alpha-amino ether ChEBI alpha-amino ethers ChEBI hemiaminal ethers ChEBI A primary ammonium ion resulting from the protonation of the amino group of L-tyrosinal. +1 C9H12NO2 InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/p+1/t8-/m0/s1 DXGAIOIQACHYRK-QMMMGPOBSA-O 166.197 166.08626 O=C[C@@H]([NH3+])CC=1C=CC(=CC1)O MetaCyc:CPD-21526 PMID:23281040 (2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-aminium chebi_ontology (2S)-1-(p-hydroxyphenyl)-3-oxopropan-2-aminium L-tyrosinal CHEBI:141668 L-tyrosinal(1+) PMID:23281040 SUBMITTER (2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-aminium IUPAC (2S)-1-(p-hydroxyphenyl)-3-oxopropan-2-aminium ChEBI L-tyrosinal UniProt Any carbobycyclic compound that is an hexahydronaphthalene or a compound obtained from an hexahydronaphthalene by formal substitution of one or more hydrogens. chebi_ontology CHEBI:142348 hexahydronaphthalenes A purine ribonucleoside that is a purine derivative attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. 0 C10H11N4O4R2 251.219 251.07803 C1(=*)NC(=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)* chebi_ontology a purine D-ribonucleoside CHEBI:142355 purines D-ribonucleoside a purine D-ribonucleoside UniProt A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines. 0 C3H6Cl2 InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3 KNKRKFALVUDBJE-UHFFFAOYSA-N 112.986 111.98466 CC(CCl)Cl Reaxys:1718880 chebi_ontology CHEBI:142468 1,2-dichloropropane Reaxys:1718880 Reaxys A 1,2-dichloropropane that has R configuration. 0 C3H6Cl2 InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m1/s1 KNKRKFALVUDBJE-GSVOUGTGSA-N 112.986 111.98466 C[C@H](CCl)Cl PMID:28527381 Reaxys:1718882 (2R)-1,2-dichloropropane chebi_ontology (2R)-dichloro-1,2 propane (R)-1,2-DCP (R)-alpha,beta-dichloropropane (R)-alpha,beta-propylene dichloride (R)-propylene dichloride CHEBI:142469 (R)-1,2-dichloropropane PMID:28527381 Europe PMC Reaxys:1718882 Reaxys (2R)-1,2-dichloropropane IUPAC (2R)-dichloro-1,2 propane ChEBI (R)-1,2-DCP ChEBI (R)-alpha,beta-dichloropropane ChEBI (R)-alpha,beta-propylene dichloride ChEBI (R)-propylene dichloride ChEBI A 1,2-dichloropropane that has S configuration. 0 C3H6Cl2 InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1 KNKRKFALVUDBJE-VKHMYHEASA-N 112.986 111.98466 C[C@@H](CCl)Cl PMID:28527381 Reaxys:1718881 (2S)-1,2-dichloropropane chebi_ontology (2S)-1,2-DCP (2S)-alpha,beta-dichloropropane (2S)-alpha,beta-propylene dichloride (2S)-propylene dichloride CHEBI:142471 (S)-1,2-dichloropropane PMID:28527381 Europe PMC Reaxys:1718881 Reaxys (2S)-1,2-dichloropropane IUPAC (2S)-1,2-DCP ChEBI (2S)-alpha,beta-dichloropropane ChEBI (2S)-alpha,beta-propylene dichloride ChEBI (2S)-propylene dichloride ChEBI A organic ion resulting from the deprotonation of the hydroxy group of any oxime. -1 CNO 42.017 41.99799 C(*)(=N[O-])* oxime anion chebi_ontology oximate oximates oxime anions CHEBI:142513 oxime anion oxime anion ChEBI oximate ChEBI oximates ChEBI oxime anions ChEBI A secondary ammonium ion resulting from the protonation of the secondary amino group of tamsulosin. The major species at pH 7.3. +1 C20H29N2O5S InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m1/s1 DRHKJLXJIQTDTD-OAHLLOKOSA-O 409.522 409.17917 C=1C=C(OCC[NH2+][C@@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC (2R)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium chebi_ontology CHEBI:142544 tamsulosin(1+) (2R)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium IUPAC A secondary amino compound that is ammonia in which nitrogen is substituted by a 1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl group and a 2-(2-ethoxyphenoxy)ethyl group. 0 C20H28N2O5S InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24) DRHKJLXJIQTDTD-UHFFFAOYSA-N 408.514 408.17189 C=1C=C(OCCNC(CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC PMID:2891044 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide chebi_ontology 5-(2-{[2-(o-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide CHEBI:142546 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide PMID:2891044 Europe PMC 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide IUPAC 5-(2-{[2-(o-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide ChEBI A 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (S)-configuration. The enantiomer of tamsulosin. 0 C20H28N2O5S InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m0/s1 DRHKJLXJIQTDTD-HNNXBMFYSA-N 408.514 408.17189 C=1C=C(OCCN[C@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC CAS:106138-88-9 PMID:2891044 Reaxys:6896058 chebi_ontology (+)-tamsulosin (S)-(+)-tamsulosin (S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide (S)-tamsulosin CHEBI:142548 ent-tamsulosin CAS:106138-88-9 ChemIDplus PMID:2891044 Europe PMC Reaxys:6896058 Reaxys (+)-tamsulosin ChEBI (S)-(+)-tamsulosin ChEBI (S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide ChEBI (S)-tamsulosin ChemIDplus A secondary ammonium ion resulting from the secondary amino group of ent-tamsulosin. The major species at pH 7.3. +1 C20H29N2O5S InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m0/s1 DRHKJLXJIQTDTD-HNNXBMFYSA-O 409.522 409.17917 C=1C=C(OCC[NH2+][C@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC (2S)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium chebi_ontology (+)-tamsulosin(1+) (S)-(+)-tamsulosin(1+) (S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide(1+) (S)-tamsulosin(1+) CHEBI:142549 ent-tamsulosin(1+) (2S)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium IUPAC (+)-tamsulosin(1+) ChEBI (S)-(+)-tamsulosin(1+) ChEBI (S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide(1+) ChEBI (S)-tamsulosin(1+) ChEBI Any fatty alcohol in which the hydroxy group is attached to a methylene (CH2) group. 0 CH3OR 31.034 31.01839 *CO primary fatty alcohol chebi_ontology a primary fatty alcohol primary fatty alcohols CHEBI:142622 primary fatty alcohol primary fatty alcohol ChEBI a primary fatty alcohol UniProt primary fatty alcohols ChEBI An organic nitrogen anion resulting from the deprotonation of the N-acylsulfonamide moiety of asulam. The conjugate base of asulam. -1 C8H9N2O4S InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)/p-1 VGPYEHKOIGNJKV-UHFFFAOYSA-M 229.234 229.02885 C1=C(C=CC(=C1)S([N-]C(OC)=O)(=O)=O)N [(4-aminophenyl)sulfonyl](methoxycarbonyl)azanide {[(4-aminophenyl)sulfonyl]imino}(methoxy)methanolate chebi_ontology asulam anion methyl sulfanilylcarbamate(1-) CHEBI:142669 asulam(1-) [(4-aminophenyl)sulfonyl](methoxycarbonyl)azanide IUPAC {[(4-aminophenyl)sulfonyl]imino}(methoxy)methanolate IUPAC asulam anion ChEBI methyl sulfanilylcarbamate(1-) ChEBI Any transient receptor potential (TRP) channel modulator that modulates the TRPV channels (V = vanilloid). There is strong evidence that action at one or more of this class of proteins is responsible for the insecticidal action of pymetrozine, pyrifluquinazon, and afidopyropen. chebi_ontology TRPV channel modulators transient receptor potential (vanilloid) channel modulator transient receptor potential (vanilloid) channel modulators CHEBI:142782 TRPV channel modulator TRPV channel modulators ChEBI transient receptor potential (vanilloid) channel modulator ChEBI transient receptor potential (vanilloid) channel modulators ChEBI An agent that modulates the passage of cations through the transient receptor potential (TRP) channels. chebi_ontology TRP channel modulators CHEBI:142783 TRP channel modulator TRP channel modulators ChEBI An organic anion arising from deprotonation of the hydroxy group of an enol. -1 C2OR3 40.021 39.99491 [O-]C(=C(*)*)* chebi_ontology enolate anion enolate anions enolates CHEBI:142839 enolate enolate anion ChEBI enolate anions ChEBI enolates ChEBI A D-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of D-homoserine; major species at pH 7.3. 0 C4H9NO3 InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1 UKAUYVFTDYCKQA-GSVOUGTGSA-N 119.119 119.05824 C([C@H](C([O-])=O)[NH3+])CO MetaCyc:CPD-12255 PMID:24419381 (2R)-2-azaniumyl-4-hydroxybutanoate chebi_ontology D-homoserine CHEBI:143081 D-homoserine zwitterion PMID:24419381 SUBMITTER (2R)-2-azaniumyl-4-hydroxybutanoate IUPAC D-homoserine UniProt A compound having bonds between one or more metalloid atoms and one or more carbon atoms of an organyl group. PMID:15246002 PMID:17741021 PMID:8403081 PMID:908316 chebi_ontology organometalloidal organometalloidal compounds organometalloidals CHEBI:143084 organometalloidal compound PMID:15246002 Europe PMC PMID:17741021 Europe PMC PMID:8403081 Europe PMC PMID:908316 Europe PMC organometalloidal ChEBI organometalloidal compounds ChEBI organometalloidals ChEBI An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group -1 C5H8NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1 WHUUTDBJXJRKMK-UHFFFAOYSA-M 146.12136 146.04588 [NH3+]C(CCC([O-])=O)C([O-])=O Gmelin:327908 glutamate(1-) hydrogen glutamate chebi_ontology 2-ammoniopentanedioate glutamate glutamic acid monoanion CHEBI:14321 glutamate(1-) Gmelin:327908 Gmelin glutamate(1-) JCBN hydrogen glutamate IUPAC 2-ammoniopentanedioate IUPAC glutamate UniProt glutamic acid monoanion JCBN An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-butyric acid, arising from the deprotonation of the carboxy group. -1 C12H12NO2 InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)/p-1 JTEDVYBZBROSJT-UHFFFAOYSA-M 202.234 202.08735 C=1C=CC=C2NC=C(C12)CCCC([O-])=O Chemspider:2934315 MetaCyc:CPD-10507 4-(1H-indol-3-yl)butanoate indole-3-butyrate chebi_ontology (indol-3-yl)butanoate 1H-indole-3-butanoate 1H-indole-3-butyrate 3-indolebutyrate 4-(indol-3-yl)butanoate indole-3-butanoate indole-3-butyric acid(1-) CHEBI:143274 indole-3-butyrate Chemspider:2934315 SUBMITTER 4-(1H-indol-3-yl)butanoate IUPAC indole-3-butyrate MetaCyc (indol-3-yl)butanoate UniProt 1H-indole-3-butanoate ChEBI 1H-indole-3-butyrate ChEBI 3-indolebutyrate ChEBI 4-(indol-3-yl)butanoate MetaCyc indole-3-butanoate MetaCyc indole-3-butyric acid(1-) ChEBI A monocarboxylic acid anion resulting from the dprotonation of the carboxy group of 4-(2,4-dichlorophenoxy)butanoic acid (2,4-DB). The major species at pH 7.3. -1 C10H9Cl2O3 InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)/p-1 YIVXMZJTEQBPQO-UHFFFAOYSA-M 248.080 246.99342 C=1C=C(C=C(C1OCCCC([O-])=O)Cl)Cl PMID:12801099 PMID:19435093 4-(2,4-dichlorophenoxy)butanoate chebi_ontology 2,4-DB(1-) 4-(2,4-dichlorophenoxy)butyrate CHEBI:143277 4-(2,4-dichlorophenoxy)butanoate PMID:12801099 Europe PMC PMID:19435093 Europe PMC 4-(2,4-dichlorophenoxy)butanoate IUPAC 4-(2,4-dichlorophenoxy)butanoate UniProt 2,4-DB(1-) ChEBI 4-(2,4-dichlorophenoxy)butyrate ChEBI A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of five carbon atoms. chebi_ontology CHEBI:143597 pentanol A chrysanthemol in which both chiral centres have R configuration. 0 C10H18O InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3/t8-,9-/m1/s1 HIPIENNKVJCMAP-RKDXNWHRSA-N 154.253 154.13577 C1([C@@H]([C@H]1C=C(C)C)CO)(C)C PMID:25378387 (R,R)-chrysanthemol [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanol chebi_ontology CHEBI:143898 (R,R)-chrysanthemol PMID:25378387 SUBMITTER (R,R)-chrysanthemol UniProt [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanol IUPAC An aldehyde resulting from the formal oxidation of the hydroxy group of (R,R)-chrysanthemol. 0 C10H16O InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1 NQLKPDBZZUIQGM-RKDXNWHRSA-N 152.237 152.12012 C1([C@@H]([C@H]1C=C(C)C)C=O)(C)C PMID:29122986 (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde chebi_ontology (1R,3R)-chrysanthemal CHEBI:143899 (R,R)-chrysanthemal PMID:29122986 SUBMITTER (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde IUPAC (1R,3R)-chrysanthemal ChEBI (1R,3R)-chrysanthemal UniProt A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (+)-trans-chrysanthemic acid. The major species at pH 7.3. -1 C10H15O2 InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/p-1/t7-,8+/m1/s1 XLOPRKKSAJMMEW-SFYZADRCSA-M 167.229 167.10775 C1([C@@H]([C@H]1C=C(C)C)C([O-])=O)(C)C MetaCyc:CPD-13662 PMID:29122986 (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate chebi_ontology (+)-trans-chrysanthemate (1R)-trans-chrysanthemate (1R,3R)-chrysanthemate CHEBI:143900 (R,R)-chrysanthemate PMID:29122986 SUBMITTER (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC (+)-trans-chrysanthemate ChEBI (1R)-trans-chrysanthemate MetaCyc (1R,3R)-chrysanthemate UniProt A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. 0 C18H14F4N2O4S InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) LKJPYSCBVHEWIU-UHFFFAOYSA-N 430.370 430.06104 C=1(C(=CC=C(C1)NC(C(CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide chebi_ontology CHEBI:144093 N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide IUPAC A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide. 0 C18H14F4N2O4S InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1 LKJPYSCBVHEWIU-QGZVFWFLSA-N 430.370 430.06104 C=1(C(=CC=C(C1)NC([C@@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F CAS:113299-38-0 PDBeChem:0U9 PMID:15509184 PMID:23288837 PMID:23527766 (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide chebi_ontology (+)-bicalutamide (S)-Casodex CHEBI:144094 (S)-bicalutamide CAS:113299-38-0 ChemIDplus PMID:15509184 Europe PMC PMID:23288837 Europe PMC PMID:23527766 Europe PMC (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide IUPAC (+)-bicalutamide ChemIDplus (S)-Casodex ChemIDplus 0 C21H17N2O7R5 409.370 409.10358 C12=C(C=C(C(=C1C(C=3[C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3O)=O)C(N)=O)[NH+](C)C)[H])*)(C2(*)*)[H])=O)O)*)* chebi_ontology a tetracycline CHEBI:144644 a tetracycline zwitterion a tetracycline UniProt An agent that destroy spermatozoa in the male genitalia and block spermatogenesis. PMID:16371305 chebi_ontology antispermatogenic antispermatogenic agents antispermatogenics CHEBI:145047 antispermatogenic agent PMID:16371305 Europe PMC antispermatogenic ChEBI antispermatogenic agents ChEBI antispermatogenics ChEBI A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (R)-enantiomer of diclofop. 0 C15H12Cl2O4 InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1 OOLBCHYXZDXLDS-SECBINFHSA-N 327.160 326.01126 C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@@H](C(O)=O)C CHEBI:47365 CAS:71283-28-8 DrugBank:DB03781 PDBeChem:D1L PMID:23857454 PMID:24240105 PMID:28884187 (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid chebi_ontology (+)-diclofop [R,(+)]-2-[4-(2,4-dichlorophenoxy)phenoxy]propionic acid CHEBI:145403 (R)-diclofop CAS:71283-28-8 ChEBI PMID:23857454 Europe PMC PMID:24240105 Europe PMC PMID:28884187 Europe PMC (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid IUPAC (+)-diclofop ChEBI [R,(+)]-2-[4-(2,4-dichlorophenoxy)phenoxy]propionic acid ChEBI A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (S)-enantiomer of diclofop. 0 C15H12Cl2O4 InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m0/s1 OOLBCHYXZDXLDS-VIFPVBQESA-N 327.160 326.01126 C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(O)=O)C CAS:75021-71-5 PMID:23857454 PMID:26501920 (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid chebi_ontology (-)-diclofop (S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid CHEBI:145404 (S)-diclofop CAS:75021-71-5 ChEBI PMID:23857454 Europe PMC PMID:26501920 Europe PMC (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid IUPAC (-)-diclofop ChEBI (S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid ChEBI An aromatic ether that is 2-(4-hydroxyphenoxy)propanoic acid in which the hydrogen of the hydroxy group at position 4 has been substituted by a 2,4-dichlorophenyl group. 0 C15H12Cl2O4 InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19) OOLBCHYXZDXLDS-UHFFFAOYSA-N 327.160 326.01126 C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(O)=O)C 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid chebi_ontology CHEBI:145406 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid IUPAC A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol. 0 C16H14Cl2O4 InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3 BACHBFVBHLGWSL-UHFFFAOYSA-N 341.180 340.02691 C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(OC)=O)C methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate chebi_ontology CHEBI:145412 methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate IUPAC A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (R)-enantiomer of diclofop-methyl. 0 C16H14Cl2O4 InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m1/s1 BACHBFVBHLGWSL-SNVBAGLBSA-N 341.180 340.02691 C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@@H](C(OC)=O)C AGR:IND44326446 CAS:71283-65-3 PMID:26501920 methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate chebi_ontology CHEBI:145413 (R)-diclofop-methyl AGR:IND44326446 Europe PMC CAS:71283-65-3 ChemIDplus PMID:26501920 Europe PMC methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate IUPAC A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (S)-enantiomer of diclofop-methyl. 0 C16H14Cl2O4 InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m0/s1 BACHBFVBHLGWSL-JTQLQIEISA-N 341.180 340.02691 C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(OC)=O)C AGR:IND44326446 CAS:75021-72-6 PMID:26501920 methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate chebi_ontology CHEBI:145414 (S)-diclofop-methyl AGR:IND44326446 Europe PMC CAS:75021-72-6 ChemIDplus PMID:26501920 Europe PMC methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate IUPAC Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature. chebi_ontology macropolylides CHEBI:145555 macropolylide macropolylides ChEBI A macropolylide which contains two ester linkages in one macrocyclic ring. PMID:17446696 PMID:29624065 PMID:29671776 PMID:31247219 chebi_ontology macrodiolides CHEBI:145556 macrodiolide PMID:17446696 Europe PMC PMID:29624065 Europe PMC PMID:29671776 Europe PMC PMID:31247219 Europe PMC macrodiolides ChEBI A macrolide in which the macrocyclic lactone ring includes an amide group. PMID:11678663 PMID:12227772 PMID:15248618 PMID:17378533 PMID:31226284 chebi_ontology macrolide lactams CHEBI:145565 macrolide lactam PMID:11678663 Europe PMC PMID:12227772 Europe PMC PMID:15248618 Europe PMC PMID:17378533 Europe PMC PMID:31226284 Europe PMC macrolide lactams ChEBI A branched-chain saturated fatty acid anion resulting from the deprotonation of the carboxy group of (S)-2-methylbutanoic acid. The major species at pH 7.3. -1 C5H9O2 InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1/t4-/m0/s1 WLAMNBDJUVNPJU-BYPYZUCNSA-M 101.126 101.06080 [O-]C([C@H](CC)C)=O PMID:16819884 (2S)-2-methylbutanoate (S)-2-methylbutanoate chebi_ontology (2S)-2-methylbutyrate (2S)-2-methylbutyric acid anion (S)-2-methylbutyrate (S)-alpha-methylbutyrate CHEBI:145932 (S)-2-methylbutanoate PMID:16819884 Europe PMC (2S)-2-methylbutanoate IUPAC (S)-2-methylbutanoate UniProt (2S)-2-methylbutyrate ChEBI (2S)-2-methylbutyric acid anion ChEBI (S)-2-methylbutyrate ChEBI (S)-alpha-methylbutyrate ChEBI A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the stereocenters at positions 4a, 10 and 10a have R-configuration. It is a prodrug of levorphanol and a strong narcotic analgesic, and listed as a schedule II controlled substance. 0 C18H25NO InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1 MKXZASYAUGDDCJ-CGTJXYLNSA-N 271.404 271.19361 C=1C=2C[C@@H]3[C@]4([C@@](C2C=C(C1)OC)(CCCC4)CCN3C)[H] CAS:125-70-2 PMID:16870378 PMID:26226106 PMID:28867701 PMID:29131506 Wikipedia:Levomethorphan (4aR,10R,10aR)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene 3-methoxy-17-methylmorphinan chebi_ontology (-)-3-methoxy-17-methylmorphinan (-)-3-methoxy-N-methylmorphinan L-3-methoxy-17-methylmorphinan L-methorphan levomethorphan levomethorphane levomethorphanum levometorfano CHEBI:146176 levomethorphan CAS:125-70-2 ChemIDplus CAS:125-70-2 NIST Chemistry WebBook PMID:16870378 Europe PMC PMID:26226106 Europe PMC PMID:28867701 Europe PMC PMID:29131506 Europe PMC (4aR,10R,10aR)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene IUPAC 3-methoxy-17-methylmorphinan IUPAC (-)-3-methoxy-17-methylmorphinan ChEBI (-)-3-methoxy-N-methylmorphinan ChemIDplus L-3-methoxy-17-methylmorphinan ChEBI L-methorphan ChemIDplus levomethorphan WHO_MedNet levomethorphane WHO_MedNet levomethorphanum WHO_MedNet levometorfano WHO_MedNet An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11. 0 C18H25NO InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 MKXZASYAUGDDCJ-UHFFFAOYSA-N 271.404 271.19361 C1CCCC2(C13C4=C(CC2N(CC3)C)C=CC(=C4)OC)[H] 4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0(1,10).0(2,7)]heptadeca-2(7),3,5-triene 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene chebi_ontology CHEBI:146178 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene 4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0(1,10).0(2,7)]heptadeca-2(7),3,5-triene IUPAC 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene IUPAC Any substance that produces or enhances dream-like states of consciousness. Wikipedia:Oneirogen chebi_ontology oneirogens CHEBI:146270 oneirogen oneirogens ChEBI -1 C20H31O4 InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b9-6-,10-7-,14-11-,16-13+ PCGWZQXAGFGRTQ-RLZWZWKOSA-M 335.465 335.22278 C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)OO)(=O)[O-] PMID:27435673 chebi_ontology 11-hydroperoxy-(5Z,8Z,12E,14Z)-eicosatetraenoate 11-hydroperoxy-(5Z,8Z,12E,14Z)-icosatetraenoate(1-) CHEBI:146291 11-HPETE(1-) PMID:27435673 SUBMITTER 11-hydroperoxy-(5Z,8Z,12E,14Z)-eicosatetraenoate UniProt 11-hydroperoxy-(5Z,8Z,12E,14Z)-icosatetraenoate(1-) SUBMITTER -1 C18H31O4 InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+ JGUNZIWGNMQSBM-ZJHFMPGASA-M 311.443 311.22278 C(CCCCCCCC(/C=C/C=C\CCCCC)OO)([O-])=O PMID:27435673 chebi_ontology 9-hydroperoxy-(10E,12Z)-octadecadienoate 9-hydroperoxy-(10E,12Z)-octadecadienoate(1-) CHEBI:146293 9-HPODE(1-) PMID:27435673 SUBMITTER 9-hydroperoxy-(10E,12Z)-octadecadienoate UniProt 9-hydroperoxy-(10E,12Z)-octadecadienoate(1-) SUBMITTER An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69). Wikipedia:C30_Endopeptidase chebi_ontology 3C-like protease inhibitor 3C-like protease inhibitors 3cLpro inhibitor 3cLpro inhibitors EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitors EC 3.4.22.69 inhibitor EC 3.4.22.69 inhibitors Mpro inhibitor Mpro inhibitors SARS 3C-like protease inhibitor SARS 3C-like protease inhibitors SARS coronavirus 3CL protease inhibitor SARS coronavirus 3CL protease inhibitors SARS coronavirus main peptidase inhibitor SARS coronavirus main peptidase inhibitors SARS coronavirus main protease inhibitor SARS coronavirus main protease inhibitors SARS coronavirus main proteinase inhibitor SARS coronavirus main proteinase inhibitors SARS-CoV 3CLpro enzyme inhibitor SARS-CoV 3CLpro enzyme inhibitors SARS-CoV Mpro inhibitor SARS-CoV Mpro inhibitors SARS-CoV main protease inhibitor SARS-CoV main protease inhibitors coronavirus 3C-like protease inhibitor coronavirus 3C-like protease inhibitors severe acute respiratory syndrome coronavirus main protease inhibitor severe acute respiratory syndrome coronavirus main protease inhibitors CHEBI:147285 EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor 3C-like protease inhibitor ChEBI 3C-like protease inhibitors ChEBI 3cLpro inhibitor ChEBI 3cLpro inhibitors ChEBI EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitors ChEBI EC 3.4.22.69 inhibitor ChEBI EC 3.4.22.69 inhibitors ChEBI Mpro inhibitor ChEBI Mpro inhibitors ChEBI SARS 3C-like protease inhibitor ChEBI SARS 3C-like protease inhibitors ChEBI SARS coronavirus 3CL protease inhibitor ChEBI SARS coronavirus 3CL protease inhibitors ChEBI SARS coronavirus main peptidase inhibitor ChEBI SARS coronavirus main peptidase inhibitors ChEBI SARS coronavirus main protease inhibitor ChEBI SARS coronavirus main protease inhibitors ChEBI SARS coronavirus main proteinase inhibitor ChEBI SARS coronavirus main proteinase inhibitors ChEBI SARS-CoV 3CLpro enzyme inhibitor ChEBI SARS-CoV 3CLpro enzyme inhibitors ChEBI SARS-CoV Mpro inhibitor ChEBI SARS-CoV Mpro inhibitors ChEBI SARS-CoV main protease inhibitor ChEBI SARS-CoV main protease inhibitors ChEBI coronavirus 3C-like protease inhibitor ChEBI coronavirus 3C-like protease inhibitors ChEBI severe acute respiratory syndrome coronavirus main protease inhibitor ChEBI severe acute respiratory syndrome coronavirus main protease inhibitors ChEBI Any inhibitor added to nitrogen fertilizers which can reduce the rate at which ammonium is converted to nitrate. Under appropriate conditions, this can help reduce nitrogen losses through denitrification and leaching. Wikipedia:Nitrification chebi_ontology nitrification inhibitors CHEBI:148436 nitrification inhibitor nitrification inhibitors ChEBI A quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug chloroquine. It is the major species at pH 7.3. +2 C18H28ClN3 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+2 WHTVZRBIWZFKQO-UHFFFAOYSA-P 321.890 321.19608 [NH+]1=CC=C(C=2C1=CC(Cl)=CC2)NC(CCC[NH+](CC)CC)C PMID:25693996 7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium chebi_ontology chloroquine dication di-protonated chloroquine CHEBI:149484 chloroquine(2+) PMID:25693996 Europe PMC 7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium IUPAC chloroquine dication ChEBI di-protonated chloroquine ChEBI An organic anion that is the conjugate base of losartan, obtained from the deprotonation of the tetrazole NH group. Major species at pH 7.3. -1 C22H22ClN6O InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1 MDMTUGIZSFHDIC-UHFFFAOYSA-N 421.910 421.15491 C1=CC(CN2C(=NC(=C2CO)Cl)CCCC)=CC=C1C3=CC=CC=C3C=4[N-]N=NN4 PMID:18674515 5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}[biphenyl]-2-yl)tetrazol-1-ide chebi_ontology losartan CHEBI:149504 losartan(1-) PMID:18674515 SUBMITTER 5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}[biphenyl]-2-yl)tetrazol-1-ide IUPAC losartan UniProt A monocarboxylic acid anion resulting from the deprotonation of the tetrazole NH group and carboxy group of candesartan. It is the major species at pH 7.3. -2 C24H18N6O3 InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H2,26,27,28,29,31,32)/p-2 BSLSLQSFLOCXQQ-UHFFFAOYSA-L 438.448 438.14514 C1(=CC=C(C=C1)CN2C3=C(C(=O)[O-])C=CC=C3N=C2OCC)C=4C=CC=CC4C5=NN=N[N-]5 PMID:18674515 2-ethoxy-1-{[2'-(tetrazol-1-id-5-yl)[biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate chebi_ontology candesartan CHEBI:149509 candesartan(2-) PMID:18674515 SUBMITTER 2-ethoxy-1-{[2'-(tetrazol-1-id-5-yl)[biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate IUPAC candesartan UniProt Any agent that induces nausea and vomiting. chebi_ontology emetics CHEBI:149552 emetic emetics ChEBI Any antiviral agent which inhibits the activity of coronaviruses. Wikipedia:Coronavirus anticoronaviral agent chebi_ontology anti-coronaviral agent anti-coronaviral agents anti-coronavirus agent anti-coronavirus agents anticoronaviral agents anticoronaviral drug anticoronaviral drugs anticoronavirus agent anticoronavirus agents anticoronviral agent anticoronviral agents CHEBI:149553 anticoronaviral agent anticoronaviral agent ChEBI anti-coronaviral agent ChEBI anti-coronaviral agents ChEBI anti-coronavirus agent ChEBI anti-coronavirus agents ChEBI anticoronaviral agents ChEBI anticoronaviral drug ChEBI anticoronaviral drugs ChEBI anticoronavirus agent ChEBI anticoronavirus agents ChEBI anticoronviral agent ChEBI anticoronviral agents ChEBI An organic cation obtained by protonation of the secondary amino function of (1S,2R)-ephedrine; major species at pH 7.3. +1 C10H16NO InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m1/s1 KWGRBVOPPLSCSI-PSASIEDQSA-O 166.243 166.12264 [C@H]([C@@H](C)[NH2+]C)(O)C1=CC=CC=C1 MetaCyc:CPD-22730 (1S,2R)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium chebi_ontology (+)-ephedrinium (1S,2R)-ephedrine (1S,2R)-ephedrinium CHEBI:149673 (1S,2R)-ephedrine(1+) MetaCyc:CPD-22730 SUBMITTER (1S,2R)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium SUBMITTER (+)-ephedrinium SUBMITTER (1S,2R)-ephedrine UniProt (1S,2R)-ephedrinium SUBMITTER An amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of D-dopa. Major microspecies at pH 7.3. 0 C9H11NO4 InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1 WTDRDQBEARUVNC-ZCFIWIBFSA-N 197.190 197.06881 C1=C(O)C(=CC(C[C@H](C(=O)[O-])[NH3+])=C1)O PMID:17303072 (2R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate chebi_ontology (2R)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate D-dopa CHEBI:149689 D-dopa zwitterion PMID:17303072 SUBMITTER (2R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate IUPAC (2R)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate SUBMITTER D-dopa UniProt A monocyclic heteroarene that is a five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 2. 0 C3H4N2 68.077 68.03745 PMID:24816008 Wikipedia:Pyrazole pyrazole chebi_ontology Pyrazol CHEBI:14973 pyrazole PMID:24816008 Europe PMC pyrazole IUPAC Pyrazol ChEBI A molecular entity that can transfer an electron to another molecular entity. electron donor chebi_ontology Elektronendonator donneur d'electron CHEBI:15022 electron donor electron donor IUPAC Elektronendonator ChEBI donneur d'electron IUPAC An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. 0 C20H28O InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3 NCYCYZXNIZJOKI-UHFFFAOYSA-N 284.43572 284.21402 [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C MetaCyc:Retinals Reaxys:2055098 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal retinal chebi_ontology CHEBI:15035 retinal Reaxys:2055098 Reaxys 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal IUPAC retinal UniProt -1 C20H27O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1 SHGAZHPCJJPHSC-UHFFFAOYSA-M 299.42718 299.20165 CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate retinoate chebi_ontology CHEBI:15036 retinoate 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate IUPAC retinoate UniProt A palmitate ester of retinol with undefined geometry about the C=C bonds. retinyl palmitate http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3767 retinyl palmitate A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide. -2 S InChI=1S/S/q-2 UCKMPCXJQFINFW-UHFFFAOYSA-N 32.06600 31.97317 [S--] CAS:18496-25-8 UM-BBD_compID:c0569 sulfanediide sulfide(2-) chebi_ontology S(2-) Sulfide sulphide CHEBI:15138 sulfide(2-) CAS:18496-25-8 ChemIDplus UM-BBD_compID:c0569 UM-BBD sulfanediide IUPAC sulfide(2-) IUPAC S(2-) IUPAC Sulfide ChemIDplus sulphide ChEBI Any chlorophenol derivative that contains three covalently bonded chlorine atoms. chebi_ontology CHEBI:15258 trichlorophenols A purine nucleobase found in humans and other organisms. 0 C5H4N4O2 152.111 152.03343 ECMDB:ECMDB00292 KNApSAcK:C00019660 PMID:1557408 PMID:24629268 PMID:9007687 YMDB:YMDB00263 xanthine chebi_ontology 2,6-dioxopurine 2,6-dioxopurines xanthines CHEBI:15318 xanthine PMID:1557408 Europe PMC PMID:24629268 Europe PMC PMID:9007687 Europe PMC xanthine ChEBI 2,6-dioxopurine ChEBI 2,6-dioxopurines ChEBI xanthines ChEBI A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity. CHEBI:13699 CHEBI:2377 KEGG:C00028 KEGG:C16722 Acceptor chebi_ontology A Akzeptor Hydrogen-acceptor Oxidized donor accepteur CHEBI:15339 acceptor Acceptor KEGG_COMPOUND A KEGG_COMPOUND Akzeptor ChEBI Hydrogen-acceptor KEGG_COMPOUND Oxidized donor KEGG_COMPOUND accepteur ChEBI The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. 0 C2H4O InChI=1S/C2H4O/c1-2-3/h2H,1H3 IKHGUXGNUITLKF-UHFFFAOYSA-N 44.05256 44.02621 [H]C(C)=O CHEBI:13703 CHEBI:22158 CHEBI:2383 CHEBI:40533 Beilstein:505984 CAS:75-07-0 Gmelin:779 HMDB:HMDB0000990 KEGG:C00084 KNApSAcK:C00007392 LINCS:LSM-37193 PDBeChem:ACE PMID:11058591 PMID:110589 PMID:11087437 PMID:11290854 PMID:15239123 PMID:15833031 PMID:16404561 PMID:16485909 PMID:18001279 PMID:19396661 PMID:2233695 PMID:24282063 PMID:24326678 PMID:24503565 PMID:4239189 PMID:5526694 PMID:6036728 PMID:7163973 PMID:9171333 Reaxys:505984 UM-BBD_compID:c0160 Wikipedia:Acetaldehyde ACETALDEHYDE Acetaldehyde acetaldehyde chebi_ontology Acetaldehyd Azetaldehyd Ethanal acetaldehydes acetic aldehyde ethyl aldehyde CHEBI:15343 acetaldehyde Beilstein:505984 Beilstein CAS:75-07-0 ChemIDplus CAS:75-07-0 KEGG COMPOUND CAS:75-07-0 NIST Chemistry WebBook Gmelin:779 Gmelin PMID:11058591 Europe PMC PMID:110589 Europe PMC PMID:11087437 Europe PMC PMID:11290854 Europe PMC PMID:15239123 Europe PMC PMID:15833031 Europe PMC PMID:16404561 Europe PMC PMID:16485909 Europe PMC PMID:18001279 Europe PMC PMID:19396661 Europe PMC PMID:2233695 Europe PMC PMID:24282063 Europe PMC PMID:24326678 Europe PMC PMID:24503565 Europe PMC PMID:4239189 Europe PMC PMID:5526694 Europe PMC PMID:6036728 Europe PMC PMID:7163973 Europe PMC PMID:9171333 Europe PMC Reaxys:505984 Reaxys UM-BBD_compID:c0160 UM-BBD ACETALDEHYDE PDBeChem Acetaldehyde KEGG_COMPOUND acetaldehyde IUPAC acetaldehyde UniProt Acetaldehyd NIST_Chemistry_WebBook Azetaldehyd ChEBI Ethanal KEGG_COMPOUND acetaldehydes ChEBI acetic aldehyde NIST_Chemistry_WebBook ethyl aldehyde NIST_Chemistry_WebBook A methyl ketone that consists of propane bearing an oxo group at C2. 0 C3H6O InChI=1S/C3H6O/c1-3(2)4/h1-2H3 CSCPPACGZOOCGX-UHFFFAOYSA-N 58.07914 58.04186 CC(C)=O CHEBI:13708 CHEBI:22182 CHEBI:2398 CHEBI:40571 Beilstein:635680 CAS:67-64-1 Gmelin:1466 HMDB:HMDB0001659 KEGG:C00207 KEGG:D02311 LIPID_MAPS_instance:LMFA12000057 MetaCyc:ACETONE PDBeChem:ACN PMID:17190852 PMID:17347819 Reaxys:635680 UM-BBD_compID:c0556 Wikipedia:Acetone ACETONE Acetone acetone propan-2-one chebi_ontology 2-Propanone Aceton Azeton Dimethyl ketone Dimethylketon Propanon Pyroacetic ether beta-Ketopropane dimethylcetone dimethylketone methyl ketone propanone CHEBI:15347 acetone Beilstein:635680 Beilstein CAS:67-64-1 ChemIDplus CAS:67-64-1 KEGG COMPOUND CAS:67-64-1 NIST Chemistry WebBook Gmelin:1466 Gmelin LIPID_MAPS_instance:LMFA12000057 LIPID MAPS PMID:17190852 Europe PMC PMID:17347819 Europe PMC Reaxys:635680 Reaxys UM-BBD_compID:c0556 UM-BBD ACETONE PDBeChem Acetone KEGG_COMPOUND acetone ChEBI acetone UniProt propan-2-one IUPAC 2-Propanone KEGG_COMPOUND Aceton ChemIDplus Azeton ChEBI Dimethyl ketone KEGG_COMPOUND Dimethylketon ChEBI Propanon ChEBI Pyroacetic ether HMDB beta-Ketopropane HMDB dimethylcetone ChEBI dimethylketone MetaCyc methyl ketone ChemIDplus propanone ChemIDplus 0 C4H7NO InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 MWFMGBPGAXYFAR-UHFFFAOYSA-N 85.10452 85.05276 CC(C)(O)C#N CHEBI:11581 CHEBI:11597 CHEBI:13709 CHEBI:22184 CHEBI:2399 CHEBI:41622 CAS:75-86-5 DrugBank:DB02203 KEGG:C02659 2-Hydroxy-2-methylpropanenitrile 2-hydroxy-2-methylpropanenitrile chebi_ontology 2-Hydroxyisobutyronitrile 2-Methyllactonitrile Acetone cyanhydrin Acetone cyanohydrin acetone-cyanohydrin alpha-Hydroxyisobutyronitrile CHEBI:15348 2-hydroxy-2-methylpropanenitrile CAS:75-86-5 KEGG COMPOUND 2-Hydroxy-2-methylpropanenitrile KEGG_COMPOUND 2-hydroxy-2-methylpropanenitrile IUPAC 2-hydroxy-2-methylpropanenitrile UniProt 2-Hydroxyisobutyronitrile KEGG_COMPOUND 2-Methyllactonitrile KEGG_COMPOUND Acetone cyanhydrin KEGG_COMPOUND Acetone cyanohydrin KEGG_COMPOUND acetone-cyanohydrin ChEBI alpha-Hydroxyisobutyronitrile KEGG_COMPOUND A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. +1 C5H14NO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N 104.17080 104.10699 C[N+](C)(C)CCO CHEBI:13985 CHEBI:23212 CHEBI:3665 CHEBI:41524 Beilstein:1736748 CAS:62-49-7 DrugBank:DB00122 Drug_Central:3097 ECMDB:ECMDB00097 Gmelin:324597 HMDB:HMDB0000097 KEGG:C00114 KEGG:D07690 KNApSAcK:C00007298 MetaCyc:CHOLINE PDBeChem:CHT PMID:10930630 PMID:12826235 PMID:12946691 PMID:14972364 PMID:16210714 PMID:17087106 PMID:17283071 PMID:17344490 PMID:18204095 PMID:18230680 PMID:18786517 PMID:18786520 PMID:19246089 PMID:20038853 PMID:20446114 PMID:22770225 PMID:22961562 PMID:23095202 PMID:23616508 PMID:23637565 PMID:23733158 PMID:6420466 PMID:7590654 PMID:9517478 Reaxys:1736748 Wikipedia:Choline YMDB:YMDB00227 2-hydroxy-N,N,N-trimethylethanaminium Choline choline chebi_ontology Bilineurine CHOLINE ION N,N,N-trimethylethanol-ammonium N-trimethylethanolamine trimethylethanolamine CHEBI:15354 choline Beilstein:1736748 Beilstein CAS:62-49-7 ChemIDplus CAS:62-49-7 KEGG COMPOUND Drug_Central:3097 DrugCentral Gmelin:324597 Gmelin PMID:10930630 Europe PMC PMID:12826235 Europe PMC PMID:12946691 Europe PMC PMID:14972364 Europe PMC PMID:16210714 Europe PMC PMID:17087106 Europe PMC PMID:17283071 Europe PMC PMID:17344490 Europe PMC PMID:18204095 Europe PMC PMID:18230680 Europe PMC PMID:18786517 Europe PMC PMID:18786520 Europe PMC PMID:19246089 Europe PMC PMID:20038853 Europe PMC PMID:20446114 Europe PMC PMID:22770225 Europe PMC PMID:22961562 Europe PMC PMID:23095202 Europe PMC PMID:23616508 Europe PMC PMID:23637565 Europe PMC PMID:23733158 Europe PMC PMID:6420466 Europe PMC PMID:7590654 Europe PMC PMID:9517478 Europe PMC Reaxys:1736748 Reaxys 2-hydroxy-N,N,N-trimethylethanaminium IUPAC Choline KEGG_COMPOUND choline UniProt Bilineurine KEGG_COMPOUND CHOLINE ION PDBeChem N,N,N-trimethylethanol-ammonium ChEBI N-trimethylethanolamine ChEBI trimethylethanolamine ChEBI Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. +1 C7H16NO2 InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N 146.20748 146.11756 CC(=O)OCC[N+](C)(C)C CHEBI:12686 CHEBI:13715 CHEBI:22197 CHEBI:2416 CHEBI:40559 Beilstein:1764436 CAS:51-84-3 DrugBank:DB03128 Drug_Central:65 Gmelin:326108 KEGG:C01996 LINCS:LSM-5888 PDBeChem:ACH PMID:14764638 PMID:15014918 PMID:15231705 PMID:15361288 PMID:18050502 PMID:18407448 PMID:19255787 PMID:20963497 PMID:21130809 PMID:21246223 PMID:21545631 PMID:21601579 Wikipedia:Acetylcholine 2-acetyloxy-N,N,N-trimethylethanaminium ACETYLCHOLINE Acetylcholine acetylcholine chebi_ontology ACh Azetylcholin O-Acetylcholine choline acetate CHEBI:15355 acetylcholine Beilstein:1764436 ChemIDplus CAS:51-84-3 ChemIDplus CAS:51-84-3 KEGG COMPOUND Drug_Central:65 DrugCentral Gmelin:326108 Gmelin PMID:14764638 Europe PMC PMID:15014918 Europe PMC PMID:15231705 Europe PMC PMID:15361288 Europe PMC PMID:18050502 Europe PMC PMID:18407448 Europe PMC PMID:19255787 Europe PMC PMID:20963497 Europe PMC PMID:21130809 Europe PMC PMID:21246223 Europe PMC PMID:21545631 Europe PMC PMID:21601579 Europe PMC 2-acetyloxy-N,N,N-trimethylethanaminium IUPAC ACETYLCHOLINE PDBeChem Acetylcholine KEGG_COMPOUND acetylcholine UniProt ACh ChemIDplus Azetylcholin ChEBI O-Acetylcholine KEGG_COMPOUND choline acetate ChemIDplus A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N 121.15922 121.01975 NC(CS)C(O)=O CHEBI:14061 CHEBI:23508 CHEBI:4050 Beilstein:1721406 CAS:3374-22-9 Gmelin:2933 KEGG:C00736 KNApSAcK:C00001351 KNApSAcK:C00007323 PMID:17439666 PMID:25181601 Reaxys:1721406 Wikipedia:Cysteine Cysteine cysteine chebi_ontology 2-Amino-3-mercaptopropionic acid 2-amino-3-mercaptopropanoic acid 2-amino-3-sulfanylpropanoic acid C Cys Cystein Hcys Zystein cisteina CHEBI:15356 cysteine Beilstein:1721406 Beilstein CAS:3374-22-9 ChemIDplus CAS:3374-22-9 KEGG COMPOUND CAS:3374-22-9 NIST Chemistry WebBook Gmelin:2933 Gmelin PMID:17439666 Europe PMC PMID:25181601 Europe PMC Reaxys:1721406 Reaxys Cysteine KEGG_COMPOUND cysteine ChEBI cysteine IUPAC 2-Amino-3-mercaptopropionic acid KEGG_COMPOUND 2-amino-3-mercaptopropanoic acid JCBN 2-amino-3-sulfanylpropanoic acid IUPAC C ChEBI Cys ChEBI Cystein ChEBI Hcys IUPAC Zystein ChEBI cisteina ChEBI A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. 0 C9H8O4 InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) BSYNRYMUTXBXSQ-UHFFFAOYSA-N 180.15740 180.04226 CC(=O)Oc1ccccc1C(O)=O CHEBI:22188 CHEBI:22203 CHEBI:2890 CHEBI:40705 CHEBI:71414 Beilstein:779271 CAS:50-78-2 DrugBank:DB00945 Drug_Central:74 Gmelin:218864 HMDB:HMDB0001879 KEGG:C01405 KEGG:D00109 LINCS:LSM-5288 MetaCyc:CPD-524 PDBeChem:AIN PMID:11203441 PMID:11402787 PMID:11597554 PMID:11733186 PMID:12852484 PMID:14753751 PMID:15542410 PMID:15590729 PMID:1650428 PMID:18226435 PMID:18335236 PMID:18631321 PMID:19010312 PMID:19386367 PMID:19706045 PMID:21699808 PMID:22866967 PMID:445303 Reaxys:779271 Wikipedia:Aspirin 2-(acetyloxy)benzoic acid Acetylsalicylic acid chebi_ontology 2-(ACETYLOXY)BENZOIC ACID 2-Acetoxybenzenecarboxylic acid 2-acetoxybenzoic acid ASA Acetylsalicylate Acetylsalicylsaeure Aspirin Azetylsalizylsaeure Easprin O-acetylsalicylic acid acide 2-(acetyloxy)benzoique acide acetylsalicylique acido acetilsalicilico acidum acetylsalicylicum o-acetoxybenzoic acid o-carboxyphenyl acetate salicylic acid acetate CHEBI:15365 acetylsalicylic acid Beilstein:779271 Beilstein CAS:50-78-2 ChemIDplus CAS:50-78-2 KEGG COMPOUND CAS:50-78-2 NIST Chemistry WebBook Drug_Central:74 DrugCentral Gmelin:218864 Gmelin PMID:11203441 Europe PMC PMID:11402787 Europe PMC PMID:11597554 Europe PMC PMID:11733186 Europe PMC PMID:12852484 Europe PMC PMID:14753751 Europe PMC PMID:15542410 Europe PMC PMID:15590729 Europe PMC PMID:1650428 Europe PMC PMID:18226435 Europe PMC PMID:18335236 Europe PMC PMID:18631321 Europe PMC PMID:19010312 Europe PMC PMID:19386367 Europe PMC PMID:19706045 Europe PMC PMID:21699808 Europe PMC PMID:22866967 Europe PMC PMID:445303 Europe PMC Reaxys:779271 Reaxys 2-(acetyloxy)benzoic acid IUPAC Acetylsalicylic acid KEGG_COMPOUND 2-(ACETYLOXY)BENZOIC ACID PDBeChem 2-Acetoxybenzenecarboxylic acid KEGG_COMPOUND 2-acetoxybenzoic acid ChemIDplus ASA ChemIDplus Acetylsalicylate KEGG_COMPOUND Acetylsalicylsaeure ChemIDplus Aspirin KEGG_COMPOUND Azetylsalizylsaeure ChEBI Easprin KEGG_DRUG O-acetylsalicylic acid ChemIDplus acide 2-(acetyloxy)benzoique IUPAC acide acetylsalicylique ChemIDplus acido acetilsalicilico NIST_Chemistry_WebBook acidum acetylsalicylicum NIST_Chemistry_WebBook o-acetoxybenzoic acid NIST_Chemistry_WebBook o-carboxyphenyl acetate NIST_Chemistry_WebBook salicylic acid acetate ChemIDplus A simple monocarboxylic acid containing two carbons. acetic acid http://langual.org 0 C2H4O2 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) QTBSBXVTEAMEQO-UHFFFAOYSA-N 60.05200 60.02113 CC(O)=O CHEBI:22169 CHEBI:2387 CHEBI:40486 Beilstein:506007 CAS:64-19-7 Codex::260 Drug_Central:4211 Europe::260 Gmelin:1380 HMDB:HMDB0000042 KEGG:C00033 KEGG:D00010 KNApSAcK:C00001176 LIPID_MAPS_instance:LMFA01010002 MetaCyc:ACET PDBeChem:ACT PDBeChem:ACY PMID:12005138 PMID:15107950 PMID:16630552 PMID:16774200 PMID:17190852 PMID:19416101 PMID:19469536 PMID:22153255 PMID:22173419 PPDB:1333 Reaxys:506007 Wikipedia:Acetic_acid http://www.langual.org/langual_thesaurus.asp?termid=B2977 ACETIC ACID Acetic acid acetic acid chebi_ontology AcOH CH3-COOH CH3CO2H E 260 E-260 E260 Essigsaeure Ethanoic acid Ethylic acid HOAc INS No. 260 MeCO2H MeCOOH Methanecarboxylic acid acide acetique ethoic acid acetic acid, glacial CHEBI:15366 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, preservative. acetic acid acetic acid Beilstein:506007 Beilstein CAS:64-19-7 ChemIDplus CAS:64-19-7 KEGG COMPOUND CAS:64-19-7 NIST Chemistry WebBook Drug_Central:4211 DrugCentral Gmelin:1380 Gmelin LIPID_MAPS_instance:LMFA01010002 LIPID MAPS PMID:12005138 Europe PMC PMID:15107950 Europe PMC PMID:16630552 Europe PMC PMID:16774200 Europe PMC PMID:17190852 Europe PMC PMID:19416101 Europe PMC PMID:19469536 Europe PMC PMID:22153255 Europe PMC PMID:22173419 Europe PMC Reaxys:506007 Reaxys ACETIC ACID PDBeChem Acetic acid KEGG_COMPOUND acetic acid IUPAC AcOH ChEBI CH3-COOH IUPAC CH3CO2H ChEBI E 260 ChEBI E-260 ChEBI E260 ChEBI Essigsaeure ChEBI Ethanoic acid KEGG_COMPOUND Ethylic acid ChemIDplus HOAc ChEBI INS No. 260 ChEBI MeCO2H ChEBI MeCOOH ChEBI Methanecarboxylic acid ChemIDplus acide acetique ChemIDplus ethoic acid ChEBI A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. 0 C20H28O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ SHGAZHPCJJPHSC-YCNIQYBTSA-N 300.43512 300.20893 CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O CHEBI:45376 CHEBI:8815 Beilstein:2057223 CAS:302-79-4 DrugBank:DB00755 Drug_Central:2722 FooDB:FDB022710 HMDB:HMDB0001852 KEGG:C00777 KEGG:D00094 LIPID_MAPS_instance:LMPR01090019 PDBeChem:REA PMID:10022884 PMID:10970886 PMID:11073974 PMID:11214352 PMID:11332619 PMID:11343416 PMID:11437362 PMID:11556813 PMID:11722649 PMID:11896294 PMID:11904404 PMID:12958591 PMID:14581379 PMID:14605492 PMID:14627725 PMID:14704332 PMID:14705145 PMID:14978018 PMID:15194426 PMID:15318809 PMID:15327395 PMID:15359008 PMID:15376324 PMID:15476854 PMID:15537748 PMID:15539337 PMID:15675886 PMID:15839997 PMID:16569247 PMID:16685080 PMID:16688769 PMID:16720557 PMID:16819260 PMID:16847436 PMID:16920920 PMID:17073551 PMID:17166212 PMID:17204142 PMID:17447762 PMID:18052213 PMID:18085670 PMID:18162363 PMID:18183617 PMID:18318655 PMID:18322276 PMID:18400206 PMID:18404486 PMID:18440196 PMID:18678272 PMID:18800767 PMID:18819820 PMID:18977311 PMID:19018099 PMID:19112091 PMID:19144697 PMID:19427305 PMID:19587328 PMID:19597529 PMID:19814868 PMID:19841174 PMID:21898109 PMID:21924320 PMID:21993673 PMID:22134377 PMID:22177959 PMID:22180426 PMID:22244299 PMID:22261335 PMID:22428994 PMID:22514600 PMID:22532966 PMID:22534100 PMID:22538278 PMID:22741806 PMID:27759097 PMID:29492455 PMID:33662750 PMID:33820492 PMID:34050114 PMID:34050360 PMID:34091189 PMID:7501014 PMID:7704533 PMID:7961949 Reaxys:2057223 Wikipedia:Retinoic_acid Wikipedia:Tretinoin (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid all-trans-retinoic acid chebi_ontology (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid AGN 100335 Acide retinoique (French) Altreno Atralin Avita Betarretin Biacna Cordes vas Dermairol Refissa Renova Retin-A Retisol-A Ro 1-5488 Stieva-A Tretin M Tri-luma Veltin Vesanoid all-(E)-retinoic acid all-trans retinoic acid all-trans-beta-Retinoic acid all-trans-tretinoin all-trans-vitamin A acid all-trans-vitamin A1 acid beta-Retinoic acid retinoic acid trans-retinoic acid tretinoin tretinoina tretinoine tretinoinum vitamin A acid CHEBI:15367 all-trans-retinoic acid Beilstein:2057223 Beilstein CAS:302-79-4 ChemIDplus CAS:302-79-4 KEGG COMPOUND Drug_Central:2722 DrugCentral LIPID_MAPS_instance:LMPR01090019 LIPID MAPS PMID:10022884 Europe PMC PMID:10970886 Europe PMC PMID:11073974 Europe PMC PMID:11214352 Europe PMC PMID:11332619 Europe PMC PMID:11343416 Europe PMC PMID:11437362 Europe PMC PMID:11556813 Europe PMC PMID:11722649 Europe PMC PMID:11896294 Europe PMC PMID:11904404 Europe PMC PMID:12958591 Europe PMC PMID:14581379 Europe PMC PMID:14605492 Europe PMC PMID:14627725 Europe PMC PMID:14704332 Europe PMC PMID:14705145 Europe PMC PMID:14978018 Europe PMC PMID:15194426 Europe PMC PMID:15318809 Europe PMC PMID:15327395 Europe PMC PMID:15359008 Europe PMC PMID:15376324 Europe PMC PMID:15476854 Europe PMC PMID:15537748 Europe PMC PMID:15539337 Europe PMC PMID:15675886 Europe PMC PMID:15839997 Europe PMC PMID:16569247 Europe PMC PMID:16685080 Europe PMC PMID:16688769 Europe PMC PMID:16720557 Europe PMC PMID:16819260 Europe PMC PMID:16847436 Europe PMC PMID:16920920 Europe PMC PMID:17073551 Europe PMC PMID:17166212 Europe PMC PMID:17204142 Europe PMC PMID:17447762 Europe PMC PMID:18052213 Europe PMC PMID:18085670 Europe PMC PMID:18162363 Europe PMC PMID:18183617 Europe PMC PMID:18318655 Europe PMC PMID:18322276 Europe PMC PMID:18400206 Europe PMC PMID:18404486 Europe PMC PMID:18440196 Europe PMC PMID:18678272 Europe PMC PMID:18800767 Europe PMC PMID:18819820 Europe PMC PMID:18977311 Europe PMC PMID:19018099 Europe PMC PMID:19112091 Europe PMC PMID:19144697 Europe PMC PMID:19427305 Europe PMC PMID:19587328 Europe PMC PMID:19597529 Europe PMC PMID:19814868 Europe PMC PMID:19841174 Europe PMC PMID:21898109 Europe PMC PMID:21924320 Europe PMC PMID:21993673 Europe PMC PMID:22134377 Europe PMC PMID:22177959 Europe PMC PMID:22180426 Europe PMC PMID:22244299 Europe PMC PMID:22261335 Europe PMC PMID:22428994 Europe PMC PMID:22514600 Europe PMC PMID:22532966 Europe PMC PMID:22534100 Europe PMC PMID:22538278 Europe PMC PMID:22741806 Europe PMC PMID:27759097 Europe PMC PMID:29492455 Europe PMC PMID:33662750 Europe PMC PMID:33820492 Europe PMC PMID:34050114 Europe PMC PMID:34050360 Europe PMC PMID:34091189 Europe PMC PMID:7501014 Europe PMC PMID:7704533 Europe PMC PMID:7961949 Europe PMC Reaxys:2057223 Reaxys (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid IUPAC all-trans-retinoic acid KEGG_COMPOUND (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid ChEBI (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid KEGG_COMPOUND 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid KEGG_COMPOUND 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid ChemIDplus 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid LIPID_MAPS AGN 100335 KEGG_COMPOUND Acide retinoique (French) KEGG_COMPOUND Altreno DrugBank Atralin ChemIDplus Avita ChemIDplus Betarretin ChemIDplus Biacna DrugBank Cordes vas ChemIDplus Dermairol ChemIDplus Refissa ChemIDplus Renova DrugBank Retin-A DrugBank Retisol-A DrugBank Ro 1-5488 KEGG_COMPOUND Stieva-A DrugBank Tretin M KEGG_COMPOUND Tri-luma DrugBank Veltin DrugBank Vesanoid DrugBank all-(E)-retinoic acid KEGG_COMPOUND all-trans retinoic acid ChemIDplus all-trans-beta-Retinoic acid KEGG_COMPOUND all-trans-tretinoin KEGG_COMPOUND all-trans-vitamin A acid KEGG_COMPOUND all-trans-vitamin A1 acid KEGG_COMPOUND beta-Retinoic acid KEGG_COMPOUND retinoic acid KEGG_COMPOUND trans-retinoic acid KEGG_COMPOUND tretinoin WHO_MedNet tretinoina WHO_MedNet tretinoine WHO_MedNet tretinoinum WHO_MedNet vitamin A acid KEGG_COMPOUND acrolein A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides. CHEBI:13723 CHEBI:22220 CHEBI:2445 CAS:1402-38-6 KEGG:C01775 Actinomycin chebi_ontology actinomycins CHEBI:15369 actinomycin CAS:1402-38-6 ChemIDplus CAS:1402-38-6 KEGG COMPOUND Actinomycin KEGG_COMPOUND actinomycins ChEBI An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms. 0 H2O InChI=1S/H2O/h1H2 XLYOFNOQVPJJNP-UHFFFAOYSA-N 18.01530 18.01056 [H]O[H] CHEBI:10743 CHEBI:13352 CHEBI:27313 CHEBI:42043 CHEBI:42857 CHEBI:43228 CHEBI:44292 CHEBI:44701 CHEBI:44819 CHEBI:5585 Beilstein:3587155 CAS:7732-18-5 Gmelin:117 HMDB:HMDB0002111 KEGG:C00001 KEGG:D00001 MetaCyc:WATER MolBase:1 PDBeChem:HOH Reaxys:3587155 Wikipedia:Water WATER Water oxidane water chebi_ontology BOUND WATER H2O HOH Wasser [OH2] acqua agua aqua dihydridooxygen dihydrogen oxide eau hydrogen hydroxide CHEBI:15377 water water Beilstein:3587155 Beilstein Beilstein:3587155 Beilstein CAS:7732-18-5 ChemIDplus CAS:7732-18-5 KEGG COMPOUND CAS:7732-18-5 NIST Chemistry WebBook CAS:7732-18-5 ChemIDplus CAS:7732-18-5 KEGG COMPOUND CAS:7732-18-5 NIST Chemistry WebBook Gmelin:117 Gmelin Gmelin:117 Gmelin Reaxys:3587155 Reaxys Reaxys:3587155 Reaxys WATER PDBeChem Water KEGG_COMPOUND oxidane IUPAC water IUPAC BOUND WATER PDBeChem H2O KEGG_COMPOUND H2O UniProt HOH ChEBI Wasser ChEBI [OH2] IUPAC acqua ChEBI agua ChEBI aqua ChEBI dihydridooxygen IUPAC dihydrogen oxide IUPAC eau ChEBI hydrogen hydroxide ChEBI 0 O2 InChI=1S/O2/c1-2 MYMOFIZGZYHOMD-UHFFFAOYSA-N 31.998 31.98983 O=O CHEBI:10745 CHEBI:13416 CHEBI:23833 CHEBI:25366 CHEBI:30491 CHEBI:44742 CHEBI:7860 CAS:7782-44-7 Gmelin:485 HMDB:HMDB0001377 KEGG:C00007 KEGG:D00003 MetaCyc:OXYGEN-MOLECULE MolBase:750 PDBeChem:OXY PMID:10906528 PMID:16977326 PMID:18210929 PMID:18638417 PMID:19840863 PMID:7710549 PMID:9463773 Wikipedia:Oxygen dioxygen chebi_ontology Disauerstoff E 948 E-948 E948 O2 OXYGEN MOLECULE Oxygen [OO] dioxygene molecular oxygen CHEBI:15379 dioxygen CAS:7782-44-7 ChemIDplus CAS:7782-44-7 KEGG COMPOUND CAS:7782-44-7 NIST Chemistry WebBook Gmelin:485 Gmelin PMID:10906528 Europe PMC PMID:16977326 Europe PMC PMID:18210929 Europe PMC PMID:18638417 Europe PMC PMID:19840863 Europe PMC PMID:7710549 Europe PMC PMID:9463773 Europe PMC dioxygen IUPAC Disauerstoff ChEBI E 948 ChEBI E-948 ChEBI E948 ChEBI O2 IUPAC O2 KEGG_COMPOUND O2 UniProt OXYGEN MOLECULE PDBeChem Oxygen KEGG_COMPOUND [OO] MolBase dioxygene ChEBI molecular oxygen ChEBI A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively. 0 C10H15NO InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N 165.23220 165.11536 CN[C@@H](C)[C@H](O)c1ccccc1 CHEBI:10776 CHEBI:132176 CHEBI:18483 CHEBI:4801 CAS:299-42-3 Chemspider:4856 DrugBank:DB01364 Drug_Central:1024 Gmelin:261389 KEGG:C01575 KEGG:D00124 KNApSAcK:C00001409 PMID:13359219 PMID:13809594 PMID:21465337 PMID:25660335 PMID:27662264 PMID:27846433 Reaxys:2208730 VSDB:2959 Wikipedia:Ephedrine (-)-Ephedrine (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol chebi_ontology (1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane Ephedrine L(-)-ephedrine L-Ephedrine L-erythro-2-(methylamino)-1-phenylpropan-1-ol l-ephedrine CHEBI:15407 (-)-ephedrine CAS:299-42-3 ChemIDplus CAS:299-42-3 KEGG COMPOUND CAS:299-42-3 NIST Chemistry WebBook Drug_Central:1024 DrugCentral Gmelin:261389 Gmelin PMID:13359219 Europe PMC PMID:13809594 Europe PMC PMID:21465337 Europe PMC PMID:25660335 Europe PMC PMID:27662264 Europe PMC PMID:27846433 Europe PMC Reaxys:2208730 Reaxys (-)-Ephedrine KEGG_COMPOUND (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol IUPAC (1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane ChEBI Ephedrine KEGG_COMPOUND L(-)-ephedrine ChemIDplus L-Ephedrine KEGG_COMPOUND L-erythro-2-(methylamino)-1-phenylpropan-1-ol NIST_Chemistry_WebBook l-ephedrine ChemIDplus An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. 0 C10H16N5O13P3 InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-N 507.18100 506.99575 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O CHEBI:10789 CHEBI:10841 CHEBI:13236 CHEBI:22249 CHEBI:2359 CHEBI:40938 Beilstein:73010 CAS:56-65-5 DrugBank:DB00171 Drug_Central:91 Gmelin:34857 HMDB:HMDB0000538 KEGG:C00002 KEGG:D08646 KNApSAcK:C00001491 PDBeChem:ATP Patent:US3079379 Reaxys:73010 Wikipedia:Adenosine_triphosphate ATP adenosine 5'-(tetrahydrogen triphosphate) chebi_ontology ADENOSINE-5'-TRIPHOSPHATE Adenosine 5'-triphosphate Adenosine triphosphate H4atp CHEBI:15422 ATP Beilstein:73010 Beilstein CAS:56-65-5 ChemIDplus CAS:56-65-5 KEGG COMPOUND Drug_Central:91 DrugCentral Gmelin:34857 Gmelin Reaxys:73010 Reaxys ATP KEGG_COMPOUND adenosine 5'-(tetrahydrogen triphosphate) IUPAC ADENOSINE-5'-TRIPHOSPHATE PDBeChem Adenosine 5'-triphosphate KEGG_COMPOUND Adenosine triphosphate ChemIDplus H4atp IUPAC The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. 0 C2H5NO2 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) DHMQDGOQFOQNFH-UHFFFAOYSA-N 75.06664 75.03203 NCC(O)=O CHEBI:10792 CHEBI:14344 CHEBI:24368 CHEBI:42964 CHEBI:5460 Beilstein:635782 CAS:56-40-6 DrugBank:DB00145 Drug_Central:1319 ECMDB:ECMDB00123 Gmelin:1808 HMDB:HMDB0000123 KEGG:C00037 KEGG:D00011 KNApSAcK:C00001361 MetaCyc:GLY PDBeChem:GLY PMID:10930630 PMID:11019925 PMID:11174716 PMID:11542461 PMID:11806864 PMID:12631515 PMID:12754315 PMID:12770151 PMID:12921899 PMID:15331688 PMID:15388434 PMID:15710237 PMID:16105183 PMID:16151895 PMID:16214212 PMID:16417482 PMID:16444815 PMID:16664855 PMID:16901953 PMID:16918424 PMID:16986325 PMID:16998855 PMID:17154252 PMID:17383967 PMID:17582620 PMID:17970719 PMID:18079355 PMID:18396796 PMID:18440992 PMID:18593588 PMID:18816054 PMID:18840508 PMID:19028609 PMID:19120667 PMID:19449910 PMID:19526731 PMID:19544666 PMID:19738917 PMID:19916621 PMID:19924257 PMID:21751272 PMID:22044190 PMID:22079563 PMID:22234938 PMID:22264337 PMID:22293292 PMID:22401276 PMID:22434786 Reaxys:635782 Wikipedia:Glycine YMDB:YMDB00016 GLYCINE Glycine aminoacetic acid glycine chebi_ontology Aminoacetic acid Aminoessigsaeure G Gly Glycin Glycocoll Glykokoll Glyzin H2N-CH2-COOH Hgly Leimzucker aminoethanoic acid CHEBI:15428 glycine Beilstein:635782 Beilstein CAS:56-40-6 ChemIDplus CAS:56-40-6 KEGG COMPOUND CAS:56-40-6 NIST Chemistry WebBook Drug_Central:1319 DrugCentral Gmelin:1808 Gmelin PMID:10930630 Europe PMC PMID:11019925 Europe PMC PMID:11174716 Europe PMC PMID:11542461 Europe PMC PMID:11806864 Europe PMC PMID:12631515 Europe PMC PMID:12754315 Europe PMC PMID:12770151 Europe PMC PMID:12921899 Europe PMC PMID:15331688 Europe PMC PMID:15388434 Europe PMC PMID:15710237 Europe PMC PMID:16105183 Europe PMC PMID:16151895 Europe PMC PMID:16214212 Europe PMC PMID:16417482 Europe PMC PMID:16444815 Europe PMC PMID:16664855 Europe PMC PMID:16901953 Europe PMC PMID:16918424 Europe PMC PMID:16986325 Europe PMC PMID:16998855 Europe PMC PMID:17154252 Europe PMC PMID:17383967 Europe PMC PMID:17582620 Europe PMC PMID:17970719 Europe PMC PMID:18079355 Europe PMC PMID:18396796 Europe PMC PMID:18440992 Europe PMC PMID:18593588 Europe PMC PMID:18816054 Europe PMC PMID:18840508 Europe PMC PMID:19028609 Europe PMC PMID:19120667 Europe PMC PMID:19449910 Europe PMC PMID:19526731 Europe PMC PMID:19544666 Europe PMC PMID:19738917 Europe PMC PMID:19916621 Europe PMC PMID:19924257 Europe PMC PMID:21751272 Europe PMC PMID:22044190 Europe PMC PMID:22079563 Europe PMC PMID:22234938 Europe PMC PMID:22264337 Europe PMC PMID:22293292 Europe PMC PMID:22401276 Europe PMC PMID:22434786 Europe PMC Reaxys:635782 Reaxys GLYCINE PDBeChem Glycine KEGG_COMPOUND aminoacetic acid IUPAC glycine IUPAC Aminoacetic acid KEGG_COMPOUND Aminoessigsaeure ChEBI G ChEBI Gly KEGG_COMPOUND Glycin ChemIDplus Glycocoll ChemIDplus Glykokoll ChEBI Glyzin ChEBI H2N-CH2-COOH IUPAC Hgly IUPAC Leimzucker ChemIDplus aminoethanoic acid ChEBI aminoethanoic acid JCBN A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. 0 C30H50 InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ YYGNTYWPHWGJRM-AAJYLUCBSA-N 410.730 410.39125 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C CHEBI:10795 CHEBI:10843 CHEBI:15104 CHEBI:26746 CHEBI:9245 Beilstein:1728920 CAS:111-02-4 HMDB:HMDB0000256 KEGG:C00751 KNApSAcK:C00003755 LIPID_MAPS_instance:LMPR0106010002 MetaCyc:SQUALENE PDBeChem:SQL PMID:16341241 PMID:23625688 PMID:24362891 PMID:25286851 PMID:25286853 PMID:25987292 Wikipedia:Squalene (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene Squalene squalene chebi_ontology (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene Spinacene Supraene CHEBI:15440 squalene Beilstein:1728920 Beilstein CAS:111-02-4 ChemIDplus CAS:111-02-4 KEGG COMPOUND CAS:111-02-4 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0106010002 LIPID MAPS PMID:16341241 Europe PMC PMID:23625688 Europe PMC PMID:24362891 Europe PMC PMID:25286851 Europe PMC PMID:25286853 Europe PMC PMID:25987292 Europe PMC (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene IUPAC Squalene KEGG_COMPOUND squalene UniProt (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene NIST_Chemistry_WebBook Spinacene KEGG_COMPOUND Supraene KEGG_COMPOUND (C12H20O11)n CHEBI:10799 CHEBI:10845 CHEBI:169 CHEBI:18519 CHEBI:24854 CAS:9005-80-5 DrugBank:DB00638 KEGG:C03323 KEGG:D00171 KEGG:G10497 (2->1)-beta-D-fructofuranan Inulin chebi_ontology (1,2-beta-D-Fructosyl)n (1,2-beta-D-fructosyl)n (2,1-beta-D-Fructosyl)n (2,1-beta-D-fructosyl)n CHEBI:15443 inulin inulin The D-enantiomer of alanine. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 QNAYBMKLOCPYGJ-UWTATZPHSA-N 89.09322 89.04768 C[C@@H](N)C(O)=O CHEBI:10840 CHEBI:12899 CHEBI:20893 CHEBI:4087 CHEBI:41756 CHEBI:41798 CHEBI:41848 CHEBI:41877 Beilstein:1720249 CAS:338-69-2 DrugBank:DB01786 ECMDB:ECMDB01310 Gmelin:82157 HMDB:HMDB0001310 KEGG:C00133 KNApSAcK:C00019654 MetaCyc:D-ALANINE PDBeChem:DAL PMID:10977898 PMID:1450921 PMID:22005737 PMID:22075031 PMID:22123251 PMID:22313760 PMID:3275662 Reaxys:1720249 YMDB:YMDB00993 D-Alanine D-alanine chebi_ontology (2R)-2-aminopropanoic acid (R)-2-aminopropanoic acid (R)-alanine D-2-Aminopropionic acid D-Ala D-Alanin D-alpha-alanine D-alpha-aminopropionic acid DAL CHEBI:15570 D-alanine Beilstein:1720249 Beilstein CAS:338-69-2 ChemIDplus CAS:338-69-2 KEGG COMPOUND CAS:338-69-2 NIST Chemistry WebBook Gmelin:82157 Gmelin PMID:10977898 Europe PMC PMID:1450921 Europe PMC PMID:22005737 Europe PMC PMID:22075031 Europe PMC PMID:22123251 Europe PMC PMID:22313760 Europe PMC PMID:3275662 Europe PMC Reaxys:1720249 Reaxys D-Alanine KEGG_COMPOUND D-alanine IUPAC (2R)-2-aminopropanoic acid IUPAC (R)-2-aminopropanoic acid ChEBI (R)-alanine NIST_Chemistry_WebBook D-2-Aminopropionic acid KEGG_COMPOUND D-Ala KEGG_COMPOUND D-Alanin ChEBI D-alpha-alanine NIST_Chemistry_WebBook D-alpha-aminopropionic acid ChEBI DAL PDBeChem 0 H4N2 InChI=1S/H4N2/c1-2/h1-2H2 OAKJQQAXSVQMHS-UHFFFAOYSA-N 32.04524 32.03745 NN CHEBI:10842 CHEBI:14413 CHEBI:24630 CHEBI:5777 Beilstein:878137 CAS:302-01-2 Gmelin:190 KEGG:C05361 UM-BBD_compID:c0651 Hydrazine diazane hydrazine chebi_ontology H2NNH2 Hydrazin N2H4 diamine nitrogen hydride CHEBI:15571 hydrazine Beilstein:878137 Beilstein CAS:302-01-2 ChemIDplus CAS:302-01-2 KEGG COMPOUND Gmelin:190 Gmelin UM-BBD_compID:c0651 UM-BBD Hydrazine KEGG_COMPOUND diazane IUPAC hydrazine IUPAC hydrazine UniProt H2NNH2 IUPAC Hydrazin ChEBI N2H4 IUPAC diamine ChemIDplus nitrogen hydride ChemIDplus A peptide zwitterion obtained from the tranfer of a proton from the carboxy group to the amino group of any tripeptide. It contains an equal number of positively-charged and negatively-charged functional groups. Major structure at pH 7.3. 0 C6H8N3O4R3 186.146 186.05148 C(=O)([C@@H]([NH3+])*)N[C@H](C(=O)N[C@H](C(=O)[O-])*)* chebi_ontology L-amino acid tripeptide zwitterion L-amino acid tripeptide zwitterions amino acid tripeptide zwitterion amino acid tripeptide zwitterions an L-amino acid tripeptide CHEBI:155837 tripeptide zwitterion L-amino acid tripeptide zwitterion ChEBI L-amino acid tripeptide zwitterions ChEBI amino acid tripeptide zwitterion ChEBI amino acid tripeptide zwitterions ChEBI an L-amino acid tripeptide UniProt copper(II) phthalocyanine copper tetrapyrrole A group of compounds based on the naphthalene ring system where one or more hydrogen atoms have been replaced by chlorine. The generic molecular formula is C10H8-nCln, where n = 1-8. There are 75 possible chlorinated naphthalenes and they are commonly used in the electrical industry and as additives. CAS:70776-03-3 PMID:10697135 PMID:14668151 PMID:15683156 PMID:15939452 PMID:16134358 PMID:29710642 chebi_ontology Chlorierte Naphthaline chlorinated naphthalenes chloronaphthalene chloronaphthalene derivative chloronaphthalene derivatives chloronaphthalenes naphthalene, chloro derivative naphthalene, chloro derivatives naphthalene, chloro derivs naphthalenes chlores CHEBI:156062 chlorinated naphthalene CAS:70776-03-3 ChemIDplus PMID:10697135 Europe PMC PMID:14668151 Europe PMC PMID:15683156 Europe PMC PMID:15939452 Europe PMC PMID:16134358 Europe PMC PMID:29710642 Europe PMC Chlorierte Naphthaline ChEBI chlorinated naphthalenes ChemIDplus chloronaphthalene ChEBI chloronaphthalene derivative ChEBI chloronaphthalene derivatives ChEBI chloronaphthalenes ChEBI naphthalene, chloro derivative ChEBI naphthalene, chloro derivatives ChEBI naphthalene, chloro derivs ChemIDplus naphthalenes chlores ChEBI Major microspecies at pH 7.3. +1 C5H13N2O2S InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1/t4-/m0/s1 GHSJKUNUIHUPDF-BYPYZUCNSA-O 165.230 165.06923 [O-]C([C@H](CSCC[NH3+])[NH3+])=O MetaCyc:S-2-AMINOETHYL-L-CYSTEINE PMID:14766574 chebi_ontology S-(2-aminoethyl)-L-cysteine S-(beta-aminoethyl)-L-cysteine CHEBI:156132 L-thialysinium MetaCyc:S-2-AMINOETHYL-L-CYSTEINE SUBMITTER PMID:14766574 SUBMITTER S-(2-aminoethyl)-L-cysteine UniProt S-(beta-aminoethyl)-L-cysteine SUBMITTER Cyclobutane and its derivatives formed by substitution. chebi_ontology CHEBI:156473 cyclobutanes A dicarboxylate resulting from deprotonation of both carboxy groups of kainic acid, and protonation of its amine group. Major species at pH 7.3. -1 C10H14NO4 InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-1/t6-,7+,9-/m0/s1 VLSMHEGGTFMBBZ-OOZYFLPDSA-M 212.226 212.09283 [NH2+]1C[C@@H]([C@@H]([C@H]1C(=O)[O-])CC(=O)[O-])C(=C)C MetaCyc:CPD-22470 PMID:16847640 PMID:30995339 chebi_ontology kainate CHEBI:156548 kainate(1-) MetaCyc:CPD-22470 SUBMITTER PMID:16847640 SUBMITTER PMID:30995339 SUBMITTER kainate UniProt Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. 0 C2H4O2(CH2O)n CHEBI:13755 CHEBI:22305 CHEBI:2561 KEGG:C01370 Wikipedia:Aldose Aldose chebi_ontology aldoses an aldose CHEBI:15693 aldose Aldose KEGG_COMPOUND aldoses ChEBI an aldose UniProt The L-enantiomer of homoserine. 0 C4H9NO3 InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 UKAUYVFTDYCKQA-VKHMYHEASA-N 119.11920 119.05824 N[C@@H](CCO)C(O)=O CHEBI:13123 CHEBI:21330 CHEBI:43131 CHEBI:6246 Beilstein:1721681 CAS:672-15-1 DrugBank:DB04193 HMDB:HMDB0000719 KEGG:C00263 KNApSAcK:C00001366 MetaCyc:HOMO-SER PDBeChem:HSE PMID:22770225 Reaxys:1721681 Wikipedia:Homoserine L-HOMOSERINE L-Homoserine L-homoserine chebi_ontology (2S)-2-amino-4-hydroxybutanoic acid 2-Amino-4-hydroxybutanoic acid 2-Amino-4-hydroxybutyric acid Homoserine CHEBI:15699 L-homoserine Beilstein:1721681 Beilstein CAS:672-15-1 ChemIDplus CAS:672-15-1 KEGG COMPOUND PMID:22770225 Europe PMC Reaxys:1721681 Reaxys L-HOMOSERINE PDBeChem L-Homoserine KEGG_COMPOUND L-homoserine IUPAC (2S)-2-amino-4-hydroxybutanoic acid IUPAC 2-Amino-4-hydroxybutanoic acid HMDB 2-Amino-4-hydroxybutyric acid KEGG_COMPOUND Homoserine HMDB Any alpha-amino acid having L-configuration at the alpha-carbon. 0 C2H4NO2R 74.05870 74.02420 N[C@@H]([*])C(O)=O CHEBI:13072 CHEBI:13243 CHEBI:13797 CHEBI:21224 CHEBI:6175 KEGG:C00151 L-alpha-amino acid L-alpha-amino acids chebi_ontology L-2-Amino acid L-Amino acid L-alpha-amino acids CHEBI:15705 L-alpha-amino acid L-alpha-amino acid IUPAC L-alpha-amino acids IUPAC L-2-Amino acid KEGG_COMPOUND L-Amino acid KEGG_COMPOUND L-alpha-amino acids ChEBI A methylaniline that is aniline carrying a methyl substituent at the nitrogen atom. 0 C7H9N InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3 AFBPFSWMIHJQDM-UHFFFAOYSA-N 107.15310 107.07350 CNc1ccccc1 CHEBI:12518 CHEBI:21761 CHEBI:7312 CAS:100-61-8 KEGG:C02299 PDBeChem:1MR PMID:19223035 PMID:23357676 Reaxys:741982 Wikipedia:N-Methylaniline N-Methylaniline N-methylaniline chebi_ontology (Methylamino)benzene Methylaniline Methylphenylamine Monomethylaniline N-Methyl-N-phenylamine N-Methylaminobenzene N-Methylbenzenamine N-Methylphenylamine N-Monomethylaniline N-Phenylmethylamine CHEBI:15733 N-methylaniline CAS:100-61-8 ChemIDplus CAS:100-61-8 KEGG COMPOUND PMID:19223035 Europe PMC PMID:23357676 Europe PMC Reaxys:741982 Reaxys N-Methylaniline KEGG_COMPOUND N-methylaniline UniProt (Methylamino)benzene ChemIDplus Methylaniline ChemIDplus Methylphenylamine ChemIDplus Monomethylaniline ChemIDplus N-Methyl-N-phenylamine NIST_Chemistry_WebBook N-Methylaminobenzene ChemIDplus N-Methylbenzenamine KEGG_COMPOUND N-Methylphenylamine ChemIDplus N-Monomethylaniline ChemIDplus N-Phenylmethylamine ChemIDplus A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. 0 CH3OR 31.034 31.01839 *C(O)([H])[H] CHEBI:13676 CHEBI:14887 CHEBI:26262 CHEBI:57489 CHEBI:8406 KEGG:C00226 Primary alcohol chebi_ontology 1-Alcohol a primary alcohol primary alcohols CHEBI:15734 primary alcohol Primary alcohol KEGG_COMPOUND 1-Alcohol KEGG_COMPOUND a primary alcohol UniProt primary alcohols ChEBI 0 C28H26N4O3 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 466.541 466.20049 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O CHEBI:15106 CHEBI:45788 CHEBI:9252 CAS:62996-74-1 DrugBank:DB02010 KEGG:C02079 KNApSAcK:C00018127 LINCS:LSM-1103 PDBeChem:STU PMID:15613975 PMID:15682296 PMID:18478334 PMID:22363408 PMID:32800439 PMID:34428735 Wikipedia:Staurosporine (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one Staurosporine chebi_ontology (+)-Staurosporine AM-2282 STS Staurosporin antibiotic AM 2282 CHEBI:15738 staurosporine CAS:62996-74-1 ChemIDplus CAS:62996-74-1 KEGG COMPOUND PMID:15613975 Europe PMC PMID:15682296 Europe PMC PMID:18478334 Europe PMC PMID:22363408 Europe PMC PMID:32800439 Europe PMC PMID:34428735 Europe PMC (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one IUPAC Staurosporine KEGG_COMPOUND (+)-Staurosporine ChemIDplus AM-2282 ChemIDplus STS KEGG_COMPOUND Staurosporin ChemIDplus antibiotic AM 2282 ChemIDplus A member of the class of alkylamines that is propane carrying an amino group at position 2. 0 C3H9N InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 JJWLVOIRVHMVIS-UHFFFAOYSA-N 59.11030 59.07350 CC(C)N CHEBI:14476 CHEBI:24914 CHEBI:6045 CAS:75-31-0 KEGG:C06748 MetaCyc:ISOPROPYLAMINE PMID:23897436 PMID:24365708 Reaxys:605259 UM-BBD_compID:c0656 Wikipedia:Isopropylamine Isopropylamine propan-2-amine chebi_ontology 2-Aminopropane 2-Propanamine 2-aminopropane 2-propanamine Monoisopropylamine CHEBI:15739 isopropylamine CAS:75-31-0 ChemIDplus CAS:75-31-0 KEGG COMPOUND CAS:75-31-0 NIST Chemistry WebBook PMID:23897436 Europe PMC PMID:24365708 Europe PMC Reaxys:605259 Reaxys UM-BBD_compID:c0656 UM-BBD Isopropylamine KEGG_COMPOUND propan-2-amine IUPAC 2-Aminopropane KEGG_COMPOUND 2-Propanamine KEGG_COMPOUND 2-aminopropane ChEBI 2-propanamine ChEBI Monoisopropylamine KEGG_COMPOUND A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. -1 CHO2 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 BDAGIHXWWSANSR-UHFFFAOYSA-M 45.01744 44.99820 [H]C([O-])=O CHEBI:14276 CHEBI:24081 Beilstein:1901205 CAS:71-47-6 Gmelin:1006 HMDB:HMDB0000142 KEGG:C00058 MetaCyc:FORMATE PMID:17190852 PMID:3946945 Reaxys:1901205 UM-BBD_compID:c0106 Wikipedia:Formate formate chebi_ontology HCO2 anion aminate formiate formic acid, ion(1-) formylate hydrogen carboxylate methanoate CHEBI:15740 formate Beilstein:1901205 Beilstein CAS:71-47-6 ChemIDplus CAS:71-47-6 NIST Chemistry WebBook Gmelin:1006 Gmelin PMID:17190852 Europe PMC PMID:3946945 Europe PMC Reaxys:1901205 Reaxys UM-BBD_compID:c0106 UM-BBD formate IUPAC formate UniProt HCO2 anion NIST_Chemistry_WebBook aminate ChEBI formiate ChEBI formic acid, ion(1-) ChemIDplus formylate ChEBI hydrogen carboxylate ChEBI methanoate ChEBI A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. 0 C4H8O InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N 72.10572 72.05751 [H]C(=O)CCC CHEBI:13923 CHEBI:22938 CHEBI:3233 CAS:123-72-8 HMDB:HMDB0003543 KEGG:C01412 MetaCyc:BUTANAL PMID:16347493 PMID:20833537 Reaxys:506061 Wikipedia:Butanal Butanal butanal chebi_ontology 1-Butanal Aldehyde butyrique Aldeide butirrica Butal Butaldehyde Butanaldehyde Butyl aldehyde Butylaldehyde Butyral Butyraldehyd Butyraldehyde Butyric aldehyde Butyrylaldehyde butan-1-al n-Butanal n-Butyl aldehyde n-Butyraldehyde n-C3H7CHO CHEBI:15743 butanal CAS:123-72-8 ChemIDplus CAS:123-72-8 KEGG COMPOUND CAS:123-72-8 NIST Chemistry WebBook PMID:16347493 Europe PMC PMID:20833537 Europe PMC Reaxys:506061 Reaxys Butanal KEGG_COMPOUND butanal IUPAC butanal UniProt 1-Butanal ChemIDplus 1-Butanal HMDB Aldehyde butyrique ChemIDplus Aldeide butirrica ChemIDplus Butal ChemIDplus Butaldehyde ChemIDplus Butanaldehyde ChemIDplus Butyl aldehyde NIST_Chemistry_WebBook Butylaldehyde ChemIDplus Butyral ChemIDplus Butyraldehyd ChemIDplus Butyraldehyde KEGG_COMPOUND Butyric aldehyde ChemIDplus Butyrylaldehyde NIST_Chemistry_WebBook butan-1-al HMDB n-Butanal NIST_Chemistry_WebBook n-Butyl aldehyde NIST_Chemistry_WebBook n-Butyraldehyde NIST_Chemistry_WebBook n-C3H7CHO NIST_Chemistry_WebBook An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease 0 C9H11NO4 InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-N 197.18798 197.06881 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O CHEBI:11693 CHEBI:13098 CHEBI:1377 CHEBI:19825 CHEBI:41871 CHEBI:49933 CHEBI:75987 Beilstein:2215169 Beilstein:6060047 CAS:59-92-7 COMe:MOL000169 DrugBank:DB01235 Drug_Central:1567 Gmelin:365846 HMDB:HMDB0000181 KEGG:C00355 KEGG:D00059 KNApSAcK:C00001357 LINCS:LSM-5481 MetaCyc:L-DIHYDROXY-PHENYLALANINE PDBeChem:DAH_LFOH PMID:18690870 PMID:22491024 PMID:22592937 PMID:23038403 PMID:23127496 PMID:23196068 PMID:23206800 PMID:23211937 PMID:23357114 PMID:23389842 PMID:23389938 PMID:23390548 PMID:29438107 PMID:8301021 Reaxys:2215169 Wikipedia:L-DOPA Wikipedia:Levodopa (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid L-DOPA L-Dopa L-dopa chebi_ontology (-)-3-(3,4-dihydroxyphenyl)-L-alanine (-)-dopa 3,4-DIHYDROXYPHENYLALANINE 3,4-Dihydroxy-L-phenylalanine 3-Hydroxy-L-tyrosine Dihydroxy-L-phenylalanine Dopar L-beta-(3,4-Dihydroxyphenyl)alanine beta-(3,4-dihydroxyphenyl)-L-alanine beta-(3,4-dihydroxyphenyl)alanine levodopa levodopum CHEBI:15765 L-dopa Beilstein:2215169 Beilstein Beilstein:6060047 Beilstein CAS:59-92-7 ChemIDplus CAS:59-92-7 KEGG COMPOUND CAS:59-92-7 NIST Chemistry WebBook Drug_Central:1567 DrugCentral Gmelin:365846 Gmelin PMID:18690870 Europe PMC PMID:22491024 Europe PMC PMID:22592937 Europe PMC PMID:23038403 Europe PMC PMID:23127496 Europe PMC PMID:23196068 Europe PMC PMID:23206800 Europe PMC PMID:23211937 Europe PMC PMID:23357114 Europe PMC PMID:23389842 Europe PMC PMID:23389938 Europe PMC PMID:23390548 Europe PMC PMID:29438107 Europe PMC PMID:8301021 Europe PMC Reaxys:2215169 Reaxys (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC L-DOPA NIST_Chemistry_WebBook L-Dopa KEGG_COMPOUND L-dopa IUPAC (-)-3-(3,4-dihydroxyphenyl)-L-alanine ChemIDplus (-)-dopa ChemIDplus 3,4-DIHYDROXYPHENYLALANINE PDBeChem 3,4-Dihydroxy-L-phenylalanine KEGG_COMPOUND 3-Hydroxy-L-tyrosine KEGG_COMPOUND Dihydroxy-L-phenylalanine KEGG_COMPOUND Dopar KEGG_DRUG L-beta-(3,4-Dihydroxyphenyl)alanine KEGG_COMPOUND beta-(3,4-dihydroxyphenyl)-L-alanine NIST_Chemistry_WebBook beta-(3,4-dihydroxyphenyl)alanine NIST_Chemistry_WebBook levodopa KEGG_DRUG levodopum ChemIDplus Any fatty acid anion containing a ring composed of carbon atoms. Major microspecies at pH 7.3 chebi_ontology carbocyclic fatty acid CHEBI:157668 carbocyclic fatty acid anion carbocyclic fatty acid UniProt A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. 0 CH2Cl2 InChI=1S/CH2Cl2/c2-1-3/h1H2 YMWUJEATGCHHMB-UHFFFAOYSA-N 84.93198 83.95336 [H]C([H])(Cl)Cl CHEBI:14139 CHEBI:23701 CHEBI:4504 Beilstein:1730800 CAS:75-09-2 Gmelin:1302 HMDB:HMDB0031548 KEGG:C02271 KEGG:D02330 MetaCyc:CPD-681 PMID:11884241 PMID:19091298 PMID:8465711 Patent:US2792435 Patent:US2979541 Patent:US3126419 Reaxys:1730800 UM-BBD_compID:c0233 Wikipedia:Dichloromethane Dichloromethane dichloromethane chebi_ontology DCM Dichlormethan Methylenchlorid Methylene chloride Methylene dichloride chlorure de methylene methane dichloride methylene bichloride CHEBI:15767 dichloromethane Beilstein:1730800 Beilstein CAS:75-09-2 ChemIDplus CAS:75-09-2 KEGG COMPOUND CAS:75-09-2 NIST Chemistry WebBook Gmelin:1302 Gmelin PMID:11884241 Europe PMC PMID:19091298 Europe PMC PMID:8465711 Europe PMC Reaxys:1730800 Reaxys UM-BBD_compID:c0233 UM-BBD Dichloromethane KEGG_COMPOUND dichloromethane ChEBI dichloromethane IUPAC dichloromethane UniProt DCM NIST_Chemistry_WebBook Dichlormethan ChEBI Methylenchlorid ChEBI Methylene chloride KEGG_COMPOUND Methylene dichloride KEGG_COMPOUND chlorure de methylene ChemIDplus methane dichloride NIST_Chemistry_WebBook methylene bichloride NIST_Chemistry_WebBook A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a phenyl group which carries two unspecified groups at positions 3 and 4 of the phenyl ring. 0 C9H10N2OR2 162.189 162.07931 CN(C)C(=O)NC1=CC([*])=C([*])C=C1 MetaCyc:11-Dimethyl-3-Phenylureas PMID:24123738 chebi_ontology 3-(3,4-substituted-phenyl)-1,1-dimethylureas N'-(3,4-substituted-phenyl)-N,N-dimethylurea N'-(3,4-substituted-phenyl)-N,N-dimethylureas a 1,1-dimethyl-3-phenylurea CHEBI:157693 3-(3,4-substituted-phenyl)-1,1-dimethylurea PMID:24123738 SUBMITTER 3-(3,4-substituted-phenyl)-1,1-dimethylureas ChEBI N'-(3,4-substituted-phenyl)-N,N-dimethylurea ChEBI N'-(3,4-substituted-phenyl)-N,N-dimethylureas ChEBI a 1,1-dimethyl-3-phenylurea UniProt A primary aliphatic amine consisting of cyclohexane carrying an amino substituent. 0 C6H13N InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 PAFZNILMFXTMIY-UHFFFAOYSA-N 99.17416 99.10480 NC1CCCCC1 CHEBI:14054 CHEBI:23485 CHEBI:4017 CAS:108-91-8 HMDB:HMDB0031404 KEGG:C00571 MetaCyc:CPD-303 PDBeChem:HAI PMID:14726272 PMID:7766708 Reaxys:471175 UM-BBD_compID:c0690 Wikipedia:Cyclohexylamine Cyclohexylamine cyclohexanamine chebi_ontology Cyclohexanamine CHEBI:15773 cyclohexylamine CAS:108-91-8 ChemIDplus CAS:108-91-8 KEGG COMPOUND PMID:14726272 Europe PMC PMID:7766708 Europe PMC Reaxys:471175 Reaxys UM-BBD_compID:c0690 UM-BBD Cyclohexylamine KEGG_COMPOUND cyclohexanamine IUPAC Cyclohexanamine KEGG_COMPOUND Any primary fatty alcohol with a chain length less than 6 carbons. 0 CH3OR 31.034 31.01839 C(O)* chebi_ontology CHEBI:157770 short-chain primary fatty alcohol Any N-acyl-amino acid in which the amino acid moiety has D configuration. 0 C3H3NO3R2 101.06080 101.01129 OC(=O)[C@@H]([*])NC([*])=O CHEBI:12474 CHEBI:21631 CHEBI:7224 chebi_ontology CHEBI:15778 N-acyl-D-amino acid A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid. -2 C3H2O4 InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2 OFOBLEOULBTSOW-UHFFFAOYSA-L 102.04558 101.99641 [O-]C(=O)CC([O-])=O CHEBI:14563 CHEBI:25130 CHEBI:44151 Beilstein:3904386 CAS:156-80-9 DrugBank:DB02201 Gmelin:141932 KEGG:C00383 PDBeChem:MLI Reaxys:3904386 propanedioate chebi_ontology (-)OOC-CH2-COO(-) MALONATE ION malo malonate malonic acid, ion(2-) propanedioic acid, ion(2-) CHEBI:15792 malonate(2-) Beilstein:3904386 Beilstein CAS:156-80-9 ChemIDplus Gmelin:141932 Gmelin Reaxys:3904386 Reaxys propanedioate IUPAC (-)OOC-CH2-COO(-) ChEBI MALONATE ION PDBeChem malo IUPAC malonate UniProt malonic acid, ion(2-) ChemIDplus propanedioic acid, ion(2-) ChemIDplus A D-alpha-amino acid that is the D-isomer of arginine. 0 C6H14N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1 ODKSFYDXXFIFQN-SCSAIBSYSA-N 174.20100 174.11168 N[C@H](CCCNC(N)=N)C(O)=O CHEBI:12917 CHEBI:20917 CHEBI:4106 CHEBI:41855 Beilstein:1725412 CAS:157-06-2 DrugBank:DB04027 Gmelin:364938 HMDB:HMDB0003416 KEGG:C00792 MetaCyc:CPD-220 PDBeChem:DAR PMID:15540275 PMID:15723827 PMID:16912865 PMID:19651461 PMID:22518022 Reaxys:1725412 D-Arginine D-arginine chebi_ontology (2R)-2-amino-5-(carbamimidamido)pentanoic acid (2R)-2-amino-5-guanidinopentanoic acid (R)-2-amino-5-guanidinopentanoic acid D-2-Amino-5-guanidinovaleric acid D-Arginin DAR CHEBI:15816 D-arginine Beilstein:1725412 Beilstein CAS:157-06-2 ChemIDplus CAS:157-06-2 KEGG COMPOUND CAS:157-06-2 NIST Chemistry WebBook Gmelin:364938 Gmelin PMID:15540275 Europe PMC PMID:15723827 Europe PMC PMID:16912865 Europe PMC PMID:19651461 Europe PMC PMID:22518022 Europe PMC Reaxys:1725412 Reaxys D-Arginine KEGG_COMPOUND D-arginine IUPAC (2R)-2-amino-5-(carbamimidamido)pentanoic acid IUPAC (2R)-2-amino-5-guanidinopentanoic acid JCBN (R)-2-amino-5-guanidinopentanoic acid ChEBI D-2-Amino-5-guanidinovaleric acid KEGG_COMPOUND D-Arginin ChEBI DAR PDBeChem An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. 0 C5H12O InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 PHTQWCKDNZKARW-UHFFFAOYSA-N 88.14818 88.08882 CC(C)CCO CHEBI:11855 CHEBI:1597 CHEBI:20125 CHEBI:43359 Beilstein:1718835 CAS:123-51-3 DrugBank:DB02296 Gmelin:49460 HMDB:HMDB0006007 KEGG:C07328 PMID:23043843 PMID:23698045 PMID:24487533 PMID:24767042 PMID:24804072 PMID:24862930 Reaxys:1718835 YMDB:YMDB00570 3-methylbutan-1-ol isoamylol chebi_ontology 1-HYDROXY-3-METHYLBUTANE 2-methyl-4-butanol 3-Methylbutanol 3-methyl-1-butanol 3-methylbutanol Iso-amylalkohol Isoamyl alcohol Isopentyl alcohol Isopentylalkohol alcool isoamylique i-amyl alcohol isobutylcarbinol isopentan-1-ol isopentanol primary isoamyl alcohol CHEBI:15837 isoamylol Beilstein:1718835 Beilstein CAS:123-51-3 ChemIDplus CAS:123-51-3 KEGG COMPOUND CAS:123-51-3 NIST Chemistry WebBook Gmelin:49460 Gmelin PMID:23043843 Europe PMC PMID:23698045 Europe PMC PMID:24487533 Europe PMC PMID:24767042 Europe PMC PMID:24804072 Europe PMC PMID:24862930 Europe PMC Reaxys:1718835 Reaxys 3-methylbutan-1-ol IUPAC isoamylol ChemIDplus 1-HYDROXY-3-METHYLBUTANE PDBeChem 2-methyl-4-butanol ChemIDplus 3-Methylbutanol KEGG_COMPOUND 3-methyl-1-butanol NIST_Chemistry_WebBook 3-methylbutanol UniProt Iso-amylalkohol ChemIDplus Isoamyl alcohol KEGG_COMPOUND Isopentyl alcohol KEGG_COMPOUND Isopentylalkohol ChEBI alcool isoamylique ChemIDplus i-amyl alcohol NIST_Chemistry_WebBook isobutylcarbinol ChemIDplus isopentan-1-ol NIST_Chemistry_WebBook isopentanol ChemIDplus primary isoamyl alcohol ChemIDplus A peptide containing ten or more amino acid residues. C4H6N2O3R2(C2H2NOR)n CHEBI:14860 CHEBI:8314 KEGG:C00403 Polypeptide polypeptides chebi_ontology Polypeptid polipeptido CHEBI:15841 polypeptide Polypeptide KEGG_COMPOUND polypeptides IUPAC Polypeptid ChEBI polipeptido ChEBI A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14. 0 C20H32O2 InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- YZXBAPSDXZZRGB-DOFZRALJSA-N 304.46690 304.24023 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O CHEBI:22608 CHEBI:2799 CHEBI:40501 Beilstein:1913991 CAS:506-32-1 DrugBank:DB04557 Gmelin:58972 HMDB:HMDB0001043 KEGG:C00219 KNApSAcK:C00000388 LIPID_MAPS_instance:LMFA01030001 MetaCyc:ARACHIDONIC_ACID PDBeChem:ACD PMID:15129302 PMID:18931599 PMID:18973997 PMID:25584012 PMID:2820055 Reaxys:1913991 Wikipedia:Arachidonic_acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid ARACHIDONIC ACID Arachidonic acid chebi_ontology (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid (5Z,8Z,11Z,14Z)-Icosatetraenoic acid AA ARA Arachidonate Arachidonsaeure all-cis-5,8,11,14-eicosatetraenoic acid cis-5,8,11,14-Eicosatetraenoic acid cis-Delta(5,8,11,14)-eicosatetraenoic acid CHEBI:15843 arachidonic acid arachidonic acid Beilstein:1913991 Beilstein CAS:506-32-1 ChemIDplus CAS:506-32-1 KEGG COMPOUND CAS:506-32-1 NIST Chemistry WebBook Gmelin:58972 Gmelin LIPID_MAPS_instance:LMFA01030001 LIPID MAPS PMID:15129302 Europe PMC PMID:18931599 Europe PMC PMID:18973997 Europe PMC PMID:25584012 Europe PMC PMID:2820055 Europe PMC Reaxys:1913991 Reaxys (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid IUPAC ARACHIDONIC ACID PDBeChem Arachidonic acid KEGG_COMPOUND (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid NIST_Chemistry_WebBook (5Z,8Z,11Z,14Z)-Icosatetraenoic acid KEGG_COMPOUND AA ChEBI ARA ChEBI Arachidonate KEGG_COMPOUND Arachidonsaeure ChEBI all-cis-5,8,11,14-eicosatetraenoic acid ChEBI cis-5,8,11,14-Eicosatetraenoic acid KEGG_COMPOUND cis-Delta(5,8,11,14)-eicosatetraenoic acid ChEBI -1 Br InChI=1S/BrH/h1H/p-1 CPELXLSAUQHCOX-UHFFFAOYSA-M 79.90400 78.91889 [Br-] CHEBI:13918 CHEBI:3178 CHEBI:49515 Beilstein:3587179 CAS:24959-67-9 Gmelin:14908 KEGG:C00720 KEGG:C01324 PDBeChem:BR Bromide bromide bromide(1-) chebi_ontology BROMIDE ION Br(-) Br- bromine anion CHEBI:15858 bromide Beilstein:3587179 Beilstein CAS:24959-67-9 ChemIDplus CAS:24959-67-9 KEGG COMPOUND CAS:24959-67-9 NIST Chemistry WebBook Gmelin:14908 Gmelin Bromide KEGG_COMPOUND bromide IUPAC bromide UniProt bromide(1-) IUPAC BROMIDE ION PDBeChem Br(-) IUPAC Br- KEGG_COMPOUND bromine anion NIST_Chemistry_WebBook A two-carbon primary aliphatic amine. 0 C2H7N InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3 QUSNBJAOOMFDIB-UHFFFAOYSA-N 45.08370 45.05785 CCN CHEBI:14228 CHEBI:23998 CHEBI:44361 CHEBI:4897 Beilstein:505933 CAS:75-04-7 Gmelin:897 HMDB:HMDB0013231 KEGG:C00797 MetaCyc:ETHANAMINE PDBeChem:NEH PMID:10930630 PMID:11074065 Reaxys:505933 Wikipedia:Ethylamine Ethylamine ethanamine chebi_ontology 1-aminoethane ETHANAMINE aminoethane CHEBI:15862 ethylamine Beilstein:505933 Beilstein CAS:75-04-7 ChemIDplus CAS:75-04-7 KEGG COMPOUND CAS:75-04-7 NIST Chemistry WebBook Gmelin:897 Gmelin PMID:10930630 Europe PMC PMID:11074065 Europe PMC Reaxys:505933 Reaxys Ethylamine KEGG_COMPOUND ethanamine IUPAC 1-aminoethane NIST_Chemistry_WebBook ETHANAMINE PDBeChem aminoethane NIST_Chemistry_WebBook An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. 0 C6H6O InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H ISWSIDIOOBJBQZ-UHFFFAOYSA-N 94.11120 94.04186 Oc1ccccc1 CHEBI:14777 CHEBI:25966 CHEBI:43543 CHEBI:8071 Beilstein:969616 CAS:108-95-2 DrugBank:DB03255 Drug_Central:4266 Gmelin:2794 HMDB:HMDB0000228 KEGG:C00146 KEGG:C15584 KEGG:D00033 KEGG:D06536 KNApSAcK:C00002664 PDBeChem:IPH PMID:12058733 PMID:16953321 PMID:17852157 PMID:19029204 PMID:20886261 PMID:21492257 PMID:21689881 PMID:21809019 PMID:21822930 Reaxys:969616 UM-BBD_compID:c0128 Wikipedia:Phenol PHENOL Phenol phenol chebi_ontology Benzenol Carbolsaeure Hydroxybenzene Karbolsaeure Oxybenzene PhOH Phenic acid Phenylic acid Phenylic alcohol acide carbolique acide phenique carbolic acid CHEBI:15882 phenol Beilstein:969616 Beilstein CAS:108-95-2 ChemIDplus CAS:108-95-2 KEGG COMPOUND CAS:108-95-2 NIST Chemistry WebBook Drug_Central:4266 DrugCentral Gmelin:2794 Gmelin PMID:12058733 Europe PMC PMID:16953321 Europe PMC PMID:17852157 Europe PMC PMID:19029204 Europe PMC PMID:20886261 Europe PMC PMID:21492257 Europe PMC PMID:21689881 Europe PMC PMID:21809019 Europe PMC PMID:21822930 Europe PMC Reaxys:969616 Reaxys UM-BBD_compID:c0128 UM-BBD PHENOL PDBeChem Phenol KEGG_COMPOUND phenol ChEBI phenol IUPAC phenol UniProt Benzenol KEGG_COMPOUND Carbolsaeure ChEBI Hydroxybenzene KEGG_COMPOUND Karbolsaeure ChEBI Oxybenzene HMDB PhOH ChemIDplus Phenic acid HMDB Phenic acid KEGG_COMPOUND Phenylic acid KEGG_COMPOUND Phenylic alcohol HMDB acide carbolique NIST_Chemistry_WebBook acide phenique ChEBI carbolic acid NIST_Chemistry_WebBook Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain). 0 C19H31OR 275.450 275.23749 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C CHEBI:13688 CHEBI:15114 CHEBI:26771 CHEBI:9266 KEGG:C00370 LIPID_MAPS_class:LMST01 MetaCyc:Sterols Wikipedia:Sterol Sterol sterols chebi_ontology 3-hydroxysteroids a sterol CHEBI:15889 sterol LIPID_MAPS_class:LMST01 LIPID MAPS Sterol KEGG_COMPOUND sterols IUPAC 3-hydroxysteroids ChEBI a sterol UniProt D-Glucopyranose with beta configuration at the anomeric centre. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 WQZGKKKJIJFFOK-VFUOTHLCSA-N 180.15588 180.06339 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:10397 CHEBI:12373 CHEBI:22795 CHEBI:41140 Beilstein:1281607 CAS:492-61-5 DrugBank:DB02379 Drug_Central:845 GlyGen:G71142DF GlyTouCan:G71142DF Gmelin:648637 KEGG:C00221 PDBeChem:BGC PMID:19443021 PMID:25568069 PMID:31537530 PMID:32568414 Reaxys:1281607 BETA-D-GLUCOSE beta-D-Glucose beta-D-glucopyranose beta-D-glucose chebi_ontology WURCS=2.0/1,1,0/[a2122h-1b_1-5]/1/ CHEBI:15903 beta-D-glucose Beilstein:1281607 Beilstein CAS:492-61-5 ChemIDplus CAS:492-61-5 KEGG COMPOUND CAS:492-61-5 NIST Chemistry WebBook Drug_Central:845 DrugCentral Gmelin:648637 Gmelin PMID:19443021 Europe PMC PMID:25568069 Europe PMC PMID:31537530 Europe PMC PMID:32568414 Europe PMC Reaxys:1281607 Reaxys BETA-D-GLUCOSE PDBeChem beta-D-Glucose KEGG_COMPOUND beta-D-glucopyranose IUPAC beta-D-glucose UniProt WURCS=2.0/1,1,0/[a2122h-1b_1-5]/1/ GlyTouCan A fatty acid with a chain length ranging from C13 to C22. 0 CHO2R 45.017 44.99765 OC([*])=O CHEBI:13655 CHEBI:14529 CHEBI:25075 CHEBI:6528 KEGG:C00638 Long-chain fatty acid chebi_ontology Higher fatty acid LCFA LCFAs long-chain fatty acids CHEBI:15904 long-chain fatty acid Long-chain fatty acid KEGG_COMPOUND Higher fatty acid KEGG_COMPOUND LCFA ChEBI LCFAs ChEBI long-chain fatty acids ChEBI A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group. 0 C8H14ClN5 InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) MXWJVTOOROXGIU-UHFFFAOYSA-N 215.68316 215.09377 CCNc1nc(Cl)nc(NC(C)C)n1 CHEBI:13865 CHEBI:22672 CHEBI:2916 CHEBI:49479 Beilstein:612020 CAS:1912-24-9 DrugBank:DB07392 HMDB:HMDB0041830 KEGG:C06551 LINCS:LSM-18990 MetaCyc:ATRAZINE PDBeChem:ATZ PMID:24211529 PMID:24239819 PMID:24246238 PPDB:43 Reaxys:612020 UM-BBD_compID:c0002 Wikipedia:Atrazine 6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine Atrazine atrazine chebi_ontology 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE 2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine 2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine 2-chloro-4-ethylamino-6-isopropylamino-s-triazine 2-ethylamino-4-isopropylamino-6-chloro-s-triazine 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine 6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine CHEBI:15930 atrazine Beilstein:612020 Beilstein CAS:1912-24-9 ChemIDplus CAS:1912-24-9 KEGG COMPOUND CAS:1912-24-9 NIST Chemistry WebBook PMID:24211529 Europe PMC PMID:24239819 Europe PMC PMID:24246238 Europe PMC Reaxys:612020 Reaxys UM-BBD_compID:c0002 UM-BBD 6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC Atrazine KEGG_COMPOUND atrazine UniProt 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE PDBeChem 2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine IUBMB 2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine ChemIDplus 2-chloro-4-ethylamino-6-isopropylamino-s-triazine ChemIDplus 2-ethylamino-4-isopropylamino-6-chloro-s-triazine NIST_Chemistry_WebBook 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine NIST_Chemistry_WebBook 6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine IUPAC A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. niacin nicotinic acid http://langual.org 0 C6H5NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N 123.10944 123.03203 OC(=O)c1cccnc1 CHEBI:25538 CHEBI:44319 CHEBI:7559 AGR:IND607088605 Beilstein:109591 CAS:59-67-6 Chemspider:913 DrugBank:DB00627 Drug_Central:2835 FooDB:FDB001014 Gmelin:3340 HMDB:HMDB0001488 KEGG:C00253 KEGG:D00049 KNApSAcK:C00000208 LINCS:LSM-4676 MetaCyc:NIACINE PDBeChem:NIO PMID:10540864 PMID:113218 PMID:12563315 PMID:12789870 PMID:135660 PMID:14550884 PMID:15037193 PMID:15183629 PMID:15205990 PMID:15311728 PMID:15627518 PMID:15651982 PMID:16018787 PMID:16172771 PMID:16322787 PMID:16400392 PMID:16449845 PMID:16767301 PMID:16877271 PMID:16945375 PMID:18037924 PMID:182198 PMID:186078 PMID:18993152 PMID:18996527 PMID:19369827 PMID:19592242 PMID:19678716 PMID:19779335 PMID:20979384 PMID:21632263 PMID:22116693 PMID:22155410 PMID:22229411 PMID:22366213 PMID:22458880 PMID:22770225 PMID:24029555 PMID:24568240 PMID:24675661 PMID:24848081 PMID:24975217 PMID:25040591 PMID:25241762 PMID:25429652 PMID:32954525 PMID:33273654 PMID:33932650 PMID:34066686 PMID:34085526 PMID:34117670 PMID:4033386 PMID:4259917 PMID:582105 PMID:699281 PMID:7217784 PMID:7581845 PMID:8306147 PMID:8423912 PMID:8679452 PMID:9107536 Reaxys:109591 Wikipedia:Niacin http://www.langual.org/langual_thesaurus.asp?termid=B3757 http://www.langual.org/langual_thesaurus.asp?termid=B3772 NICOTINIC ACID Nicotinic acid nicotinic acid pyridine-3-carboxylic acid chebi_ontology 3-Pyridylcarboxylic acid 3-carboxylpyridine 3-carboxypyridine 3-pyridinecarboxylic acid Niacin Niacor Niaspan Nicotinsaure Nikotinsaeure P.P. factor PP factor acide nicotinique acido nicotinico acidum nicotinicum anti-pellagra vitamin beta-pyridinecarboxylic acid m-pyridinecarboxylic acid niacin (b3) nicotinic acid pellagra preventive factor pyridine-beta-carboxylic acid pyridine-carboxylique-3 vitamin B3 CHEBI:15940 nicotinic acid AGR:IND607088605 Europe PMC Beilstein:109591 Beilstein CAS:59-67-6 ChemIDplus CAS:59-67-6 KEGG COMPOUND CAS:59-67-6 NIST Chemistry WebBook Drug_Central:2835 DrugCentral Gmelin:3340 Gmelin PMID:10540864 Europe PMC PMID:113218 Europe PMC PMID:12563315 Europe PMC PMID:12789870 Europe PMC PMID:135660 Europe PMC PMID:14550884 Europe PMC PMID:15037193 Europe PMC PMID:15183629 Europe PMC PMID:15205990 Europe PMC PMID:15311728 Europe PMC PMID:15627518 Europe PMC PMID:15651982 Europe PMC PMID:16018787 Europe PMC PMID:16172771 Europe PMC PMID:16322787 Europe PMC PMID:16400392 Europe PMC PMID:16449845 Europe PMC PMID:16767301 Europe PMC PMID:16877271 Europe PMC PMID:16945375 Europe PMC PMID:18037924 Europe PMC PMID:182198 Europe PMC PMID:186078 Europe PMC PMID:18993152 Europe PMC PMID:18996527 Europe PMC PMID:19369827 Europe PMC PMID:19592242 Europe PMC PMID:19678716 Europe PMC PMID:19779335 Europe PMC PMID:20979384 Europe PMC PMID:21632263 Europe PMC PMID:22116693 Europe PMC PMID:22155410 Europe PMC PMID:22229411 Europe PMC PMID:22366213 Europe PMC PMID:22458880 Europe PMC PMID:22770225 Europe PMC PMID:24029555 Europe PMC PMID:24568240 Europe PMC PMID:24675661 Europe PMC PMID:24848081 Europe PMC PMID:24975217 Europe PMC PMID:25040591 Europe PMC PMID:25241762 Europe PMC PMID:25429652 Europe PMC PMID:32954525 Europe PMC PMID:33273654 Europe PMC PMID:33932650 Europe PMC PMID:34066686 Europe PMC PMID:34085526 Europe PMC PMID:34117670 Europe PMC PMID:4033386 Europe PMC PMID:4259917 Europe PMC PMID:582105 Europe PMC PMID:699281 Europe PMC PMID:7217784 Europe PMC PMID:7581845 Europe PMC PMID:8306147 Europe PMC PMID:8423912 Europe PMC PMID:8679452 Europe PMC PMID:9107536 Europe PMC Reaxys:109591 Reaxys NICOTINIC ACID PDBeChem Nicotinic acid KEGG_COMPOUND nicotinic acid IUPAC pyridine-3-carboxylic acid IUPAC 3-Pyridylcarboxylic acid HMDB 3-carboxylpyridine ChemIDplus 3-carboxypyridine NIST_Chemistry_WebBook 3-pyridinecarboxylic acid KEGG_COMPOUND Niacin KEGG_COMPOUND Niacor KEGG_DRUG Niaspan KEGG_DRUG Nicotinsaure ChemIDplus Nikotinsaeure ChEBI P.P. factor NIST_Chemistry_WebBook PP factor NIST_Chemistry_WebBook acide nicotinique WHO_MedNet acido nicotinico WHO_MedNet acidum nicotinicum WHO_MedNet anti-pellagra vitamin NIST_Chemistry_WebBook beta-pyridinecarboxylic acid ChEBI m-pyridinecarboxylic acid NIST_Chemistry_WebBook nicotinic acid WHO_MedNet pellagra preventive factor NIST_Chemistry_WebBook pyridine-beta-carboxylic acid NIST_Chemistry_WebBook pyridine-carboxylique-3 ChemIDplus vitamin B3 ChEBI An acyclic carotene commonly obtained from tomatoes and other red fruits. lycopene http://langual.org 0 C40H56 InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ OAIJSZIZWZSQBC-GYZMGTAESA-N 536.87264 536.43820 CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C CHEBI:14541 CHEBI:26367 CHEBI:43789 CHEBI:6596 Beilstein:1730097 CAS:502-65-8 COMe:MOL000048 Codex::160e Drug_Central:4617 Europe::160d HMDB:HMDB0003000 KEGG:C05432 KNApSAcK:C00000911 LIPID_MAPS_instance:LMPR01070257 MetaCyc:CPD1F-114 PDBeChem:LYC PMID:10443333 PMID:10493308 PMID:10620348 PMID:10720168 PMID:10837319 PMID:11117277 PMID:11137891 PMID:12239422 PMID:12726756 PMID:12792623 PMID:12910307 PMID:13129444 PMID:15054415 PMID:15065899 PMID:15341191 PMID:1550343 PMID:15830922 PMID:16194683 PMID:16549453 PMID:24397737 PMID:7616301 PMID:9100211 Reaxys:1730097 Wikipedia:Lycopene http://www.langual.org/langual_thesaurus.asp?termid=B3134 LYCOPENE Lycopene psi,psi-carotene chebi_ontology (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene all-trans-lycopene lycopenes CHEBI:15948 LanguaL term definition: Food additive; technological purpose(s): colour. lycopene An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. biotin http://langual.org 0 C10H16N2O3S InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N 244.31172 244.08816 [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 CHEBI:13905 CHEBI:22882 CHEBI:22884 CHEBI:3108 CHEBI:41236 Beilstein:86838 CAS:58-85-5 COMe:MOL000144 Chemspider:149962 DrugBank:DB00121 Drug_Central:373 FooDB:FDB014510 Gmelin:1918703 HMDB:HMDB0000030 KEGG:C00120 KEGG:D00029 KNApSAcK:C00000756 LINCS:LSM-3994 MetaCyc:BIOTIN PDBeChem:BTN PMCID:PMC8089577 PMID:10064317 PMID:10215065 PMID:10577274 PMID:11435506 PMID:11481419 PMID:11800048 PMID:12055344 PMID:12070309 PMID:12603856 PMID:12803839 PMID:15012185 PMID:15202718 PMID:15272000 PMID:15690449 PMID:15863846 PMID:15899401 PMID:15992684 PMID:16011464 PMID:16195795 PMID:16419467 PMID:16676358 PMID:16677798 PMID:16704206 PMID:16769720 PMID:17297119 PMID:1814646 PMID:18202531 PMID:18452485 PMID:18509457 PMID:19212411 PMID:19319844 PMID:19727438 PMID:19928962 PMID:20967359 PMID:20974274 PMID:2100006 PMID:21248194 PMID:21356565 PMID:21373679 PMID:21596550 PMID:21871906 PMID:25515858 PMID:33346513 PMID:33461365 PMID:34077272 PMID:8333586 PMID:8750932 PMID:9022537 PMID:9038855 PMID:9094878 PMID:9164991 PMID:9176832 PMID:9371938 PMID:9416479 Reaxys:86838 Wikipedia:Biotin http://www.langual.org/langual_thesaurus.asp?termid=B3762 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid BIOTIN chebi_ontology (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid Coenzyme R D-(+)-biotin D-Biotin Vitamin H biotin biotina biotine biotinum cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid vitamin B7 CHEBI:15956 biotin biotin Beilstein:86838 Beilstein CAS:58-85-5 ChemIDplus CAS:58-85-5 KEGG COMPOUND CAS:58-85-5 NIST Chemistry WebBook Drug_Central:373 DrugCentral Gmelin:1918703 Gmelin PMCID:PMC8089577 Europe PMC PMID:10064317 Europe PMC PMID:10215065 Europe PMC PMID:10577274 Europe PMC PMID:11435506 Europe PMC PMID:11481419 Europe PMC PMID:11800048 Europe PMC PMID:12055344 Europe PMC PMID:12070309 Europe PMC PMID:12603856 Europe PMC PMID:12803839 Europe PMC PMID:15012185 Europe PMC PMID:15202718 Europe PMC PMID:15272000 Europe PMC PMID:15690449 Europe PMC PMID:15863846 Europe PMC PMID:15899401 Europe PMC PMID:15992684 Europe PMC PMID:16011464 Europe PMC PMID:16195795 Europe PMC PMID:16419467 Europe PMC PMID:16676358 Europe PMC PMID:16677798 Europe PMC PMID:16704206 Europe PMC PMID:16769720 Europe PMC PMID:17297119 Europe PMC PMID:1814646 Europe PMC PMID:18202531 Europe PMC PMID:18452485 Europe PMC PMID:18509457 Europe PMC PMID:19212411 Europe PMC PMID:19319844 Europe PMC PMID:19727438 Europe PMC PMID:19928962 Europe PMC PMID:20967359 Europe PMC PMID:20974274 Europe PMC PMID:2100006 Europe PMC PMID:21248194 Europe PMC PMID:21356565 Europe PMC PMID:21373679 Europe PMC PMID:21596550 Europe PMC PMID:21871906 Europe PMC PMID:25515858 Europe PMC PMID:33346513 Europe PMC PMID:33461365 Europe PMC PMID:34077272 Europe PMC PMID:8333586 Europe PMC PMID:8750932 Europe PMC PMID:9022537 Europe PMC PMID:9038855 Europe PMC PMID:9094878 Europe PMC PMID:9164991 Europe PMC PMID:9176832 Europe PMC PMID:9371938 Europe PMC PMID:9416479 Europe PMC Reaxys:86838 Reaxys 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid IUPAC BIOTIN PDBeChem (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid HMDB (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid HMDB 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid HMDB Coenzyme R KEGG_COMPOUND D-(+)-biotin NIST_Chemistry_WebBook D-Biotin KEGG_COMPOUND Vitamin H KEGG_COMPOUND biotin WHO_MedNet biotina WHO_MedNet biotine WHO_MedNet biotinum WHO_MedNet cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid HMDB cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid HMDB cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid HMDB vitamin B7 NIST_Chemistry_WebBook A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent. 0 C6H13NO3S InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) HCAJEUSONLESMK-UHFFFAOYSA-N 179.23836 179.06161 OS(=O)(=O)NC1CCCCC1 CHEBI:14055 CHEBI:23486 CHEBI:4018 CAS:100-88-9 HMDB:HMDB0031340 KEGG:C02824 KEGG:D02442 PMID:23559823 PMID:4199201 PMID:973466 Reaxys:2208885 UM-BBD_compID:c0689 Wikipedia:Cyclamic_acid Cyclohexylsulfamic acid cyclohexylsulfamic acid chebi_ontology Cyclohexylamide sulfate Cyclohexylsulfamate Cylamic acid cyclohexylaminesulphonic acid CHEBI:15964 cyclohexylsulfamic acid CAS:100-88-9 ChemIDplus CAS:100-88-9 KEGG COMPOUND CAS:100-88-9 NIST Chemistry WebBook PMID:23559823 Europe PMC PMID:4199201 Europe PMC PMID:973466 Europe PMC Reaxys:2208885 Reaxys UM-BBD_compID:c0689 UM-BBD Cyclohexylsulfamic acid KEGG_COMPOUND cyclohexylsulfamic acid IUPAC cyclohexylsulfamic acid UniProt Cyclohexylamide sulfate KEGG_COMPOUND Cyclohexylsulfamate KEGG_COMPOUND Cylamic acid KEGG_COMPOUND cyclohexylaminesulphonic acid ChEBI An optically active form of glutamic acid having D-configuration. 0 C5H9NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 WHUUTDBJXJRKMK-GSVOUGTGSA-N 147.12930 147.05316 N[C@H](CCC(O)=O)C(O)=O CHEBI:21023 CHEBI:4183 Beilstein:1723800 CAS:6893-26-1 DrugBank:DB02517 Gmelin:201189 HMDB:HMDB0003339 KEGG:C00217 KNApSAcK:C00019577 MetaCyc:D-GLT PDBeChem:DGL Reaxys:1723800 (2R)-2-aminopentanedioic acid D-Glutamic acid D-glutamic acid chebi_ontology (R)-2-aminopentanedioic acid D-2-Aminoglutaric acid D-Glutaminic acid D-Glutaminsaeure DGL glutamic acid D-form CHEBI:15966 D-glutamic acid Beilstein:1723800 Beilstein CAS:6893-26-1 ChemIDplus CAS:6893-26-1 KEGG COMPOUND CAS:6893-26-1 NIST Chemistry WebBook Gmelin:201189 Gmelin Reaxys:1723800 Reaxys (2R)-2-aminopentanedioic acid IUPAC D-Glutamic acid KEGG_COMPOUND D-glutamic acid IUPAC (R)-2-aminopentanedioic acid ChEBI D-2-Aminoglutaric acid KEGG_COMPOUND D-Glutaminic acid KEGG_COMPOUND D-Glutaminsaeure ChEBI DGL PDBeChem glutamic acid D-form ChemIDplus A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues. 0 (C5H8O6PR)n.C10H17O10PR2 CHEBI:13672 CHEBI:14859 CHEBI:8312 KEGG:C00419 Polynucleotide chebi_ontology polynucleotides CHEBI:15986 polynucleotide Polynucleotide KEGG_COMPOUND polynucleotides ChEBI A member of the class of ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol. 0 C2H7NO InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2 HZAXFHJVJLSVMW-UHFFFAOYSA-N 61.08312 61.05276 NCCO CHEBI:14223 CHEBI:23979 CHEBI:272066 CHEBI:42323 CHEBI:4880 Beilstein:505944 CAS:141-43-5 DrugBank:DB03994 Gmelin:1650 HMDB:HMDB0000149 KEGG:C00189 KEGG:D05074 KNApSAcK:C00007279 PDBeChem:ETA PMID:10930630 PMID:12834252 PMID:15149650 PMID:24023812 PMID:3654008 PMID:6196640 PMID:6708049 Reaxys:505944 UM-BBD_compID:c0594 Wikipedia:Ethanolamine 2-aminoethanol Ethanolamine chebi_ontology 1-amino-2-hydroxyethane 2-Amino-ethanol 2-Hydroxyethylamine 2-amino-1-ethanol 2-aminoethan-1-ol 2-aminoethyl alcohol Aethanolamin Aminoethanol ETA Hea MEA MONOETHANOLAMINE beta-aminoethanol beta-aminoethyl alcohol beta-ethanolamine beta-hydroxyethylamine colamine glycinol monoethanolamine CHEBI:16000 ethanolamine Beilstein:505944 Beilstein CAS:141-43-5 ChemIDplus CAS:141-43-5 KEGG COMPOUND CAS:141-43-5 NIST Chemistry WebBook Gmelin:1650 Gmelin PMID:10930630 Europe PMC PMID:12834252 Europe PMC PMID:15149650 ChEMBL PMID:24023812 Europe PMC PMID:3654008 Europe PMC PMID:6196640 Europe PMC PMID:6708049 ChEMBL Reaxys:505944 Reaxys UM-BBD_compID:c0594 UM-BBD 2-aminoethanol IUPAC Ethanolamine KEGG_COMPOUND 1-amino-2-hydroxyethane ChemIDplus 2-Amino-ethanol ChEMBL 2-Hydroxyethylamine KEGG_COMPOUND 2-amino-1-ethanol NIST_Chemistry_WebBook 2-aminoethan-1-ol NIST_Chemistry_WebBook 2-aminoethyl alcohol NIST_Chemistry_WebBook Aethanolamin ChemIDplus Aminoethanol KEGG_COMPOUND ETA ChEBI Hea IUPAC MEA ChemIDplus MONOETHANOLAMINE ChEMBL beta-aminoethanol NIST_Chemistry_WebBook beta-aminoethyl alcohol NIST_Chemistry_WebBook beta-ethanolamine NIST_Chemistry_WebBook beta-hydroxyethylamine NIST_Chemistry_WebBook colamine ChemIDplus glycinol ChemIDplus monoethanolamine ChemIDplus An optically active form of lactate having (R)-configuration. -1 C3H5O3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1 JVTAAEKCZFNVCJ-UWTATZPHSA-M 89.07000 89.02442 C[C@@H](O)C([O-])=O CHEBI:11001 CHEBI:18684 Beilstein:4655978 Gmelin:362716 KEGG:C00256 MetaCyc:D-LACTATE Reaxys:4655978 (2R)-2-hydroxypropanoate (R)-lactate chebi_ontology D-2-hydroxypropanoate D-2-hydroxypropionate D-lactate CHEBI:16004 (R)-lactate Beilstein:4655978 Beilstein Gmelin:362716 Gmelin Reaxys:4655978 Reaxys (2R)-2-hydroxypropanoate IUPAC (R)-lactate UniProt D-2-hydroxypropanoate ChEBI D-2-hydroxypropionate ChEBI D-lactate ChEBI -2 CH3AsO3 InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-2 QYPPRTNMGCREIM-UHFFFAOYSA-L 137.95432 137.93091 C[As]([O-])([O-])=O CHEBI:14596 CHEBI:25277 Gmelin:324080 KEGG:C07294 UM-BBD_compID:c0752 methylarsonate chebi_ontology MeAsO3(2-) [As(CH3)O3](2-) CHEBI:16005 methylarsonate(2-) Gmelin:324080 Gmelin UM-BBD_compID:c0752 UM-BBD methylarsonate IUPAC MeAsO3(2-) ChEBI [As(CH3)O3](2-) ChEBI 0 CH4S InChI=1S/CH4S/c1-2/h2H,1H3 LSDPWZHWYPCBBB-UHFFFAOYSA-N 48.10846 48.00337 CS CHEBI:14586 CHEBI:25225 CHEBI:6814 CAS:74-93-1 KEGG:C00409 KNApSAcK:C00001258 PDBeChem:MEE UM-BBD_compID:c0238 Methanethiol methanethiol chebi_ontology Methylmercaptan CHEBI:16007 methanethiol CAS:74-93-1 KEGG COMPOUND UM-BBD_compID:c0238 UM-BBD Methanethiol KEGG_COMPOUND methanethiol UniProt Methylmercaptan KEGG_COMPOUND An optically active form of glutamic acid having L-configuration. 0 C5H9NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N 147.12930 147.05316 N[C@@H](CCC(O)=O)C(O)=O CHEBI:21304 CHEBI:42825 CHEBI:6224 BPDB:2297 Beilstein:1723801 CAS:56-86-0 DrugBank:DB00142 Drug_Central:1310 Gmelin:3502 HMDB:HMDB0000148 KEGG:C00025 KEGG:D00007 KNApSAcK:C00001358 LINCS:LSM-36375 MetaCyc:GLT PDBeChem:GLU_LFOH PMID:15739367 PMID:15930465 PMID:16719819 PMID:16892196 PMID:19581495 PMID:22219301 PMID:22735334 Reaxys:1723801 Wikipedia:L-Glutamic_Acid (2S)-2-aminopentanedioic acid L-Glutamic acid L-glutamic acid chebi_ontology (S)-2-aminopentanedioic acid (S)-glutamic acid E GLUTAMIC ACID Glu Glutamate L-Glu L-Glutaminic acid L-Glutaminsaeure acide glutamique acido glutamico acidum glutamicum glutamic acid CHEBI:16015 L-glutamic acid Beilstein:1723801 Beilstein CAS:56-86-0 ChemIDplus CAS:56-86-0 KEGG COMPOUND CAS:56-86-0 NIST Chemistry WebBook Drug_Central:1310 DrugCentral Gmelin:3502 Gmelin PMID:15739367 Europe PMC PMID:15930465 Europe PMC PMID:16719819 Europe PMC PMID:16892196 Europe PMC PMID:19581495 Europe PMC PMID:22219301 Europe PMC PMID:22735334 Europe PMC Reaxys:1723801 Reaxys (2S)-2-aminopentanedioic acid IUPAC L-Glutamic acid KEGG_COMPOUND L-glutamic acid IUPAC (S)-2-aminopentanedioic acid ChEBI (S)-glutamic acid NIST_Chemistry_WebBook E ChEBI GLUTAMIC ACID PDBeChem Glu ChEBI Glutamate KEGG_COMPOUND L-Glu ChEBI L-Glutaminic acid KEGG_COMPOUND L-Glutaminsaeure ChEBI acide glutamique ChEBI acido glutamico ChEBI acidum glutamicum ChEBI glutamic acid ChEBI A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties. 0 C13H17N3O InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 RMMXTBMQSGEXHJ-UHFFFAOYSA-N 231.29360 231.13716 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O Beilstein:222626 CAS:58-15-1 DrugBank:DB01424 Drug_Central:171 Gmelin:103164 HMDB:HMDB0015493 KEGG:C07539 KEGG:D00556 LINCS:LSM-20000 PMID:23603897 PMID:23727364 PMID:24428683 Reaxys:222626 Wikipedia:Aminophenazone 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one chebi_ontology (Dimethylamino)phenazone 1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone 1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazolone 1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one 2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone 3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole 4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 4-(Dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-(Dimethylamino)antipyrine 4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone 4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one 4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone 4-Dimethylaminoantipyrine 4-Dimethylaminophenazone Aminofenazone Aminophenazon Aminopyrine Dimethylaminoantipyrine Dimethylaminoazophene Dimethylaminophenazon Dimethylaminophenazone Dimethylaminophenyldimethylpyrazolone Dipyrine aminofenazona aminophenazone aminophenazonum CHEBI:160246 aminophenazone Beilstein:222626 Beilstein CAS:58-15-1 ChemIDplus CAS:58-15-1 DrugBank CAS:58-15-1 KEGG COMPOUND CAS:58-15-1 KEGG DRUG CAS:58-15-1 NIST Chemistry WebBook Drug_Central:171 DrugCentral Gmelin:103164 Gmelin PMID:23603897 Europe PMC PMID:23727364 Europe PMC PMID:24428683 Europe PMC Reaxys:222626 Reaxys 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one IUPAC (Dimethylamino)phenazone NIST_Chemistry_WebBook 1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone ChemIDplus 1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazolone NIST_Chemistry_WebBook 1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one ChemIDplus 2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone ChemIDplus 3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole ChemIDplus 4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one ChemIDplus 4-(Dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one NIST_Chemistry_WebBook 4-(Dimethylamino)antipyrine ChemIDplus 4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone ChemIDplus 4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one ChemIDplus 4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone ChemIDplus 4-Dimethylaminoantipyrine KEGG_COMPOUND 4-Dimethylaminophenazone ChemIDplus Aminofenazone ChemIDplus Aminophenazon ChEBI Aminopyrine KEGG_DRUG Dimethylaminoantipyrine ChemIDplus Dimethylaminoazophene ChemIDplus Dimethylaminophenazon ChemIDplus Dimethylaminophenazone ChemIDplus Dimethylaminophenyldimethylpyrazolone ChemIDplus Dipyrine DrugBank aminofenazona ChemIDplus aminophenazone KEGG_DRUG aminophenazonum ChemIDplus A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120degreeC). 0 C3H7NO2 InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 FGLBSLMDCBOPQK-UHFFFAOYSA-N 89.09322 89.04768 CC(C)[N+]([O-])=O CHEBI:11632 CHEBI:1226 CHEBI:19727 CHEBI:44443 CAS:79-46-9 KEGG:C02116 MetaCyc:CPD-244 PDBeChem:NIS PMID:1934149 PMID:21860502 PMID:22319232 PMID:25892624 Reaxys:1740684 UM-BBD_compID:c0555 Wikipedia:2-Nitropropane 2-Nitropropane 2-nitropropane chebi_ontology dimethylnitromethane i-C3H7NO2 isonitropropane sec-nitropropane CHEBI:16037 2-nitropropane CAS:79-46-9 KEGG COMPOUND CAS:79-46-9 NIST Chemistry WebBook PMID:1934149 Europe PMC PMID:21860502 Europe PMC PMID:22319232 Europe PMC PMID:25892624 Europe PMC Reaxys:1740684 Reaxys UM-BBD_compID:c0555 UM-BBD 2-Nitropropane KEGG_COMPOUND 2-nitropropane IUPAC dimethylnitromethane NIST_Chemistry_WebBook i-C3H7NO2 NIST_Chemistry_WebBook isonitropropane NIST_Chemistry_WebBook sec-nitropropane NIST_Chemistry_WebBook An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. 0 C4H5N3O InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N 111.10212 111.04326 Nc1cc[nH]c(=O)n1 CHEBI:14066 CHEBI:23531 CHEBI:4072 CHEBI:41732 Beilstein:2637 CAS:71-30-7 Gmelin:82472 HMDB:HMDB0000630 KEGG:C00380 KNApSAcK:C00001498 MetaCyc:CYTOSINE PDBeChem:CYT PMID:14253484 PMID:22770225 PMID:7877593 Reaxys:2637 Wikipedia:Cytosine 4-aminopyrimidin-2(1H)-one Cytosine cytosine chebi_ontology 4-amino-2(1H)-pyrimidinone 4-amino-2-hydroxypyrimidine C Cyt Cytosin Zytosin CHEBI:16040 cytosine Beilstein:2637 Beilstein CAS:71-30-7 ChemIDplus CAS:71-30-7 KEGG COMPOUND CAS:71-30-7 NIST Chemistry WebBook Gmelin:82472 Gmelin PMID:14253484 Europe PMC PMID:22770225 Europe PMC PMID:7877593 Europe PMC Reaxys:2637 Reaxys 4-aminopyrimidin-2(1H)-one IUPAC Cytosine KEGG_COMPOUND cytosine UniProt 4-amino-2(1H)-pyrimidinone NIST_Chemistry_WebBook 4-amino-2-hydroxypyrimidine NIST_Chemistry_WebBook C ChEBI Cyt CBN Cytosin ChEBI Zytosin ChEBI A monoatomic monoanion resulting from the addition of an electron to any halogen atom. -1 X 0.0 0.0 [*-] CHEBI:14384 CHEBI:5605 KEGG:C00462 halide ions chebi_ontology HX Halide a halide anion halide anions halide(1-) halides halogen anion CHEBI:16042 halide anion halide ions IUPAC HX KEGG_COMPOUND Halide KEGG_COMPOUND a halide anion UniProt halide anions ChEBI halide(1-) ChEBI halides ChEBI halogen anion ChEBI An alkene that is propane with a double bond at position 1. 0 C3H6 InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 QQONPFPTGQHPMA-UHFFFAOYSA-N 42.07974 42.04695 CC=C CHEBI:14906 CHEBI:26309 CHEBI:8486 Beilstein:1696878 CAS:115-07-1 Gmelin:852 KEGG:C11505 MetaCyc:PROPENE PMID:24242248 PMID:24504669 Reaxys:1696878 UM-BBD_compID:c0067 Wikipedia:Propene Propene prop-1-ene propene chebi_ontology 1-propene 1-propylene CH2=CH-CH3 R-1270 methylethene methylethylene propylene CHEBI:16052 propene Beilstein:1696878 Beilstein CAS:115-07-1 ChemIDplus CAS:115-07-1 KEGG COMPOUND CAS:115-07-1 NIST Chemistry WebBook Gmelin:852 Gmelin PMID:24242248 Europe PMC PMID:24504669 Europe PMC Reaxys:1696878 Reaxys UM-BBD_compID:c0067 UM-BBD Propene KEGG_COMPOUND prop-1-ene IUPAC propene UniProt 1-propene NIST_Chemistry_WebBook 1-propylene NIST_Chemistry_WebBook CH2=CH-CH3 IUPAC R-1270 ChEBI methylethene NIST_Chemistry_WebBook methylethylene NIST_Chemistry_WebBook propylene NIST_Chemistry_WebBook A retinal having 2E,4Z,6E,8E-double bond geometry. 0 C20H28O InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+ NCYCYZXNIZJOKI-IOUUIBBYSA-N 284.43570 284.21402 CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O CHEBI:11311 CHEBI:19119 CHEBI:727 CAS:564-87-4 HMDB:HMDB0002152 KEGG:C02110 LIPID_MAPS_instance:LMPR01090003 MetaCyc:CPD-881 PMID:10655150 PMID:11161734 PMID:11390257 PMID:16026160 PMID:17003450 PMID:18370404 PMID:18563917 PMID:18606814 PMID:19339306 PMID:19830653 PMID:2440575 Reaxys:1914181 11-cis-Retinal 11-cis-retinal chebi_ontology (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal 11-cis-Retinene 11-cis-Vitamin A aldehyde 11-cis-retinene 11-cis-vitamin A aldehyde CHEBI:16066 11-cis-retinal CAS:564-87-4 HMDB LIPID_MAPS_instance:LMPR01090003 LIPID MAPS PMID:10655150 Europe PMC PMID:11161734 Europe PMC PMID:11390257 Europe PMC PMID:16026160 Europe PMC PMID:17003450 Europe PMC PMID:18370404 Europe PMC PMID:18563917 Europe PMC PMID:18606814 Europe PMC PMID:19339306 Europe PMC PMID:19830653 Europe PMC PMID:2440575 Europe PMC Reaxys:1914181 Reaxys 11-cis-Retinal KEGG_COMPOUND 11-cis-retinal ChEBI 11-cis-retinal IUPAC 11-cis-retinal UniProt (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal IUPAC 11-cis-Retinene KEGG_COMPOUND 11-cis-Vitamin A aldehyde KEGG_COMPOUND 11-cis-retinene ChEBI 11-cis-vitamin A aldehyde ChEBI An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum. 0 C8H10 InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 YNQLUTRBYVCPMQ-UHFFFAOYSA-N 106.16500 106.07825 CCc1ccccc1 CHEBI:14229 CHEBI:23999 CHEBI:45136 CHEBI:4898 Beilstein:1901871 CAS:100-41-4 DrugBank:DB01722 Gmelin:2990 HMDB:HMDB0059905 KEGG:C07111 MetaCyc:ETHYLBENZENE Reaxys:1901871 UM-BBD_compID:c0116 Wikipedia:Ethylbenzene Ethylbenzene ethylbenzene chebi_ontology Aethylbenzol Ethylbenzol Ethylenzene PHENYLETHANE Phenylethane alpha-methyltoluene CHEBI:16101 ethylbenzene Beilstein:1901871 Beilstein CAS:100-41-4 KEGG COMPOUND CAS:100-41-4 NIST Chemistry WebBook Gmelin:2990 Gmelin Reaxys:1901871 Reaxys UM-BBD_compID:c0116 UM-BBD Ethylbenzene KEGG_COMPOUND ethylbenzene IUPAC ethylbenzene UniProt Aethylbenzol ChEBI Ethylbenzol KEGG_COMPOUND Ethylenzene KEGG_COMPOUND PHENYLETHANE PDBeChem Phenylethane KEGG_COMPOUND alpha-methyltoluene NIST_Chemistry_WebBook A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group. 0 C27H46O InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 HVYWMOMLDIMFJA-DPAQBDIFSA-N 386.655 386.35487 C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C CHEBI:13982 CHEBI:23204 CHEBI:3659 CHEBI:41564 Beilstein:2060565 CAS:57-88-5 DrugBank:DB04540 Gmelin:550297 HMDB:HMDB0000067 KEGG:C00187 KEGG:D00040 KNApSAcK:C00003648 LIPID_MAPS_instance:LMST01010001 MetaCyc:CHOLESTEROL PDBeChem:CLR PMID:10901445 PMID:11412894 PMID:16341241 PMID:24287311 PMID:25308664 PMID:25451949 PMID:25522988 PMID:25658343 PMID:25977713 PMID:4696527 PMID:8838010 Reaxys:2060565 Wikipedia:Cholesterol CHOLESTEROL Cholesterol cholest-5-en-3beta-ol cholesterol chebi_ontology (3beta,14beta,17alpha)-cholest-5-en-3-ol Cholest-5-en-3beta-ol Cholesterin CHEBI:16113 cholesterol cholesterol Beilstein:2060565 Beilstein CAS:57-88-5 ChemIDplus CAS:57-88-5 KEGG COMPOUND CAS:57-88-5 NIST Chemistry WebBook Gmelin:550297 Gmelin LIPID_MAPS_instance:LMST01010001 LIPID MAPS PMID:10901445 Europe PMC PMID:11412894 Europe PMC PMID:16341241 Europe PMC PMID:24287311 Europe PMC PMID:25308664 Europe PMC PMID:25451949 Europe PMC PMID:25522988 Europe PMC PMID:25658343 Europe PMC PMID:25977713 Europe PMC PMID:4696527 Europe PMC PMID:8838010 Europe PMC Reaxys:2060565 Reaxys CHOLESTEROL PDBeChem Cholesterol KEGG_COMPOUND cholest-5-en-3beta-ol IUPAC cholesterol UniProt (3beta,14beta,17alpha)-cholest-5-en-3-ol IUPAC Cholest-5-en-3beta-ol KEGG_COMPOUND Cholesterin NIST_Chemistry_WebBook A chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine insecticide. 0 C14H9Cl5 InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H YVGGHNCTFXOJCH-UHFFFAOYSA-N 354.48476 351.91469 Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl CHEBI:11129 CHEBI:18849 CHEBI:472 Beilstein:1882657 CAS:50-29-3 Drug_Central:4396 Gmelin:509864 HMDB:HMDB0032127 KEGG:C04623 KEGG:D07367 LINCS:LSM-19015 MetaCyc:CPD-43 PMID:17949680 PMID:24328540 PPDB:3140 Reaxys:1882657 UM-BBD_compID:c0384 Wikipedia:DDT 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene DDT chebi_ontology 1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene] 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane 1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane 1,1-bis(4-chlorophenyl)-2,2,2-trichloroethane 4,4'-DDT Clofenotane Dichlorodiphenyltrichloroethane alpha,alpha-bis(p-chlorophenyl)-beta,beta,beta-trichlorethane clofenotane dichlorodiphenyltrichloroethane p,p'-DDT p,p'-dichlorodiphenyltrichloroethane CHEBI:16130 DDT Beilstein:1882657 ChemIDplus CAS:50-29-3 ChemIDplus CAS:50-29-3 KEGG COMPOUND CAS:50-29-3 NIST Chemistry WebBook Drug_Central:4396 DrugCentral Gmelin:509864 Gmelin PMID:17949680 Europe PMC PMID:24328540 Europe PMC Reaxys:1882657 Reaxys UM-BBD_compID:c0384 UM-BBD 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene IUPAC DDT KEGG_COMPOUND 1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene] UM-BBD 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane KEGG_COMPOUND 1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane KEGG_COMPOUND 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane UniProt 1,1-bis(4-chlorophenyl)-2,2,2-trichloroethane NIST_Chemistry_WebBook 4,4'-DDT ChemIDplus Clofenotane KEGG_COMPOUND Dichlorodiphenyltrichloroethane KEGG_COMPOUND alpha,alpha-bis(p-chlorophenyl)-beta,beta,beta-trichlorethane NIST_Chemistry_WebBook clofenotane ChemIDplus dichlorodiphenyltrichloroethane NIST_Chemistry_WebBook p,p'-DDT ChemIDplus p,p'-dichlorodiphenyltrichloroethane ChemIDplus An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. 0 H3N InChI=1S/H3N/h1H3 QGZKDVFQNNGYKY-UHFFFAOYSA-N 17.03056 17.02655 [H]N([H])[H] CHEBI:13405 CHEBI:13406 CHEBI:13407 CHEBI:13771 CHEBI:22533 CHEBI:44269 CHEBI:44284 CHEBI:44404 CHEBI:7434 Beilstein:3587154 CAS:7664-41-7 Drug_Central:4625 Gmelin:79 HMDB:HMDB0000051 KEGG:C00014 KEGG:D02916 KNApSAcK:C00007267 MetaCyc:AMMONIA MolBase:930 PDBeChem:NH3 PMID:110589 PMID:11139349 PMID:11540049 PMID:11746427 PMID:11783653 PMID:13753780 PMID:14663195 PMID:15092448 PMID:15094021 PMID:15554424 PMID:15969015 PMID:16008360 PMID:16050680 PMID:16348008 PMID:16349403 PMID:16614889 PMID:16664306 PMID:16842901 PMID:17025297 PMID:17439666 PMID:17569513 PMID:17737668 PMID:18670398 PMID:22002069 PMID:22081570 PMID:22088435 PMID:22100291 PMID:22130175 PMID:22150211 PMID:22240068 PMID:22290316 PMID:22342082 PMID:22385337 PMID:22443779 PMID:22560242 Reaxys:3587154 Wikipedia:Ammonia AMMONIA Ammonia ammonia azane chebi_ontology Ammoniak NH3 R-717 [NH3] ammoniac amoniaco spirit of hartshorn CHEBI:16134 ammonia Beilstein:3587154 Beilstein Beilstein:3587154 Beilstein CAS:7664-41-7 ChemIDplus CAS:7664-41-7 KEGG COMPOUND CAS:7664-41-7 NIST Chemistry WebBook CAS:7664-41-7 ChemIDplus CAS:7664-41-7 KEGG COMPOUND CAS:7664-41-7 NIST Chemistry WebBook Drug_Central:4625 DrugCentral Drug_Central:4625 DrugCentral Gmelin:79 Gmelin Gmelin:79 Gmelin PMID:110589 Europe PMC PMID:110589 Europe PMC PMID:11139349 Europe PMC PMID:11139349 Europe PMC PMID:11540049 Europe PMC PMID:11540049 Europe PMC PMID:11746427 Europe PMC PMID:11746427 Europe PMC PMID:11783653 Europe PMC PMID:11783653 Europe PMC PMID:13753780 Europe PMC PMID:13753780 Europe PMC PMID:14663195 Europe PMC PMID:14663195 Europe PMC PMID:15092448 Europe PMC PMID:15092448 Europe PMC PMID:15094021 Europe PMC PMID:15094021 Europe PMC PMID:15554424 Europe PMC PMID:15554424 Europe PMC PMID:15969015 Europe PMC PMID:15969015 Europe PMC PMID:16008360 Europe PMC PMID:16008360 Europe PMC PMID:16050680 Europe PMC PMID:16050680 Europe PMC PMID:16348008 Europe PMC PMID:16348008 Europe PMC PMID:16349403 Europe PMC PMID:16349403 Europe PMC PMID:16614889 Europe PMC PMID:16614889 Europe PMC PMID:16664306 Europe PMC PMID:16664306 Europe PMC PMID:16842901 Europe PMC PMID:16842901 Europe PMC PMID:17025297 Europe PMC PMID:17025297 Europe PMC PMID:17439666 Europe PMC PMID:17439666 Europe PMC PMID:17569513 Europe PMC PMID:17569513 Europe PMC PMID:17737668 Europe PMC PMID:17737668 Europe PMC PMID:18670398 Europe PMC PMID:18670398 Europe PMC PMID:22002069 Europe PMC PMID:22002069 Europe PMC PMID:22081570 Europe PMC PMID:22081570 Europe PMC PMID:22088435 Europe PMC PMID:22088435 Europe PMC PMID:22100291 Europe PMC PMID:22100291 Europe PMC PMID:22130175 Europe PMC PMID:22130175 Europe PMC PMID:22150211 Europe PMC PMID:22150211 Europe PMC PMID:22240068 Europe PMC PMID:22240068 Europe PMC PMID:22290316 Europe PMC PMID:22290316 Europe PMC PMID:22342082 Europe PMC PMID:22342082 Europe PMC PMID:22385337 Europe PMC PMID:22385337 Europe PMC PMID:22443779 Europe PMC PMID:22443779 Europe PMC PMID:22560242 Europe PMC PMID:22560242 Europe PMC Reaxys:3587154 Reaxys Reaxys:3587154 Reaxys AMMONIA PDBeChem Ammonia KEGG_COMPOUND ammonia IUPAC azane IUPAC Ammoniak ChemIDplus NH3 IUPAC NH3 KEGG_COMPOUND NH3 UniProt R-717 ChEBI [NH3] MolBase ammoniac ChEBI amoniaco ChEBI spirit of hartshorn ChemIDplus A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen. 0 H2S InChI=1S/H2S/h1H2 RWSOTUBLDIXVET-UHFFFAOYSA-N 34.08188 33.98772 [H]S[H] CHEBI:13356 CHEBI:14414 CHEBI:24639 CHEBI:43058 CHEBI:45489 CHEBI:5787 Beilstein:3535004 CAS:7783-06-4 Drug_Central:4260 Gmelin:303 KEGG:C00283 KNApSAcK:C00007266 MolBase:1709 PDBeChem:H2S PMID:11788560 PMID:14654297 PMID:15003943 PMID:15607739 PMID:16446402 PMID:18098324 PMID:18524810 PMID:18948540 PMID:19695225 PMID:22004989 PMID:22378060 PMID:22448627 PMID:22473176 PMID:22486842 PMID:22520971 PMID:22787557 UM-BBD_compID:c0239 Wikipedia:Hydrogen_sulfide Hydrogen sulfide dihydridosulfur dihydrogen(sulfide) hydrogen sulfide sulfane chebi_ontology H2S HYDROSULFURIC ACID Hydrogen-sulfide Schwefelwasserstoff Sulfide [SH2] acide sulfhydrique dihydrogen monosulfide dihydrogen sulfide hydrogen monosulfide hydrogen sulphide hydrogene sulfure sulfure d'hydrogene CHEBI:16136 hydrogen sulfide Beilstein:3535004 Beilstein CAS:7783-06-4 ChemIDplus CAS:7783-06-4 KEGG COMPOUND CAS:7783-06-4 NIST Chemistry WebBook Drug_Central:4260 DrugCentral Gmelin:303 Gmelin PMID:11788560 Europe PMC PMID:14654297 Europe PMC PMID:15003943 Europe PMC PMID:15607739 Europe PMC PMID:16446402 Europe PMC PMID:18098324 Europe PMC PMID:18524810 Europe PMC PMID:18948540 Europe PMC PMID:19695225 Europe PMC PMID:22004989 Europe PMC PMID:22378060 Europe PMC PMID:22448627 Europe PMC PMID:22473176 Europe PMC PMID:22486842 Europe PMC PMID:22520971 Europe PMC PMID:22787557 Europe PMC UM-BBD_compID:c0239 UM-BBD Hydrogen sulfide KEGG_COMPOUND dihydridosulfur IUPAC dihydrogen(sulfide) IUPAC hydrogen sulfide IUPAC sulfane IUPAC H2S IUPAC H2S KEGG_COMPOUND HYDROSULFURIC ACID PDBeChem Hydrogen-sulfide KEGG_COMPOUND Schwefelwasserstoff ChemIDplus Sulfide KEGG_COMPOUND [SH2] MolBase acide sulfhydrique ChemIDplus dihydrogen monosulfide NIST_Chemistry_WebBook dihydrogen sulfide NIST_Chemistry_WebBook hydrogen monosulfide NIST_Chemistry_WebBook hydrogen sulphide ChemIDplus hydrogene sulfure ChemIDplus sulfure d'hydrogene ChEBI The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. -1 C7H5O2 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 WPYMKLBDIGXBTP-UHFFFAOYSA-M 121.11340 121.02950 [O-]C(=O)c1ccccc1 CHEBI:13879 CHEBI:22717 Beilstein:1862486 CAS:766-76-7 Gmelin:2945 HMDB:HMDB0001870 KEGG:C00180 MetaCyc:BENZOATE Reaxys:1862486 UM-BBD_compID:c0121 benzoate chebi_ontology Benzenecarboxylate Benzeneformate Benzenemethanoate Phenylcarboxylate Phenylformate benzoate anion benzoic acid, ion(1-) CHEBI:16150 benzoate Beilstein:1862486 Beilstein CAS:766-76-7 ChemIDplus CAS:766-76-7 NIST Chemistry WebBook Gmelin:2945 Gmelin Reaxys:1862486 Reaxys UM-BBD_compID:c0121 UM-BBD benzoate IUPAC benzoate UniProt Benzenecarboxylate HMDB Benzeneformate HMDB Benzenemethanoate HMDB Phenylcarboxylate HMDB Phenylformate HMDB benzoate anion NIST_Chemistry_WebBook benzoic acid, ion(1-) ChemIDplus A sulfuric ester obtained by the formal condensation of a hydroxy group of any steroid with sulfuric acid. CHEBI:15110 CHEBI:26760 CHEBI:9264 KEGG:C02590 chebi_ontology Phenolic steroid O-sulfate Steroid O-sulfate steroid O-sulfates steroid sulfates CHEBI:16158 steroid sulfate Phenolic steroid O-sulfate KEGG_COMPOUND Steroid O-sulfate KEGG_COMPOUND steroid O-sulfates ChEBI steroid sulfates ChEBI A dihydroxybenzoate that is the conjugate base of o-orsellinic acid. -1 C8H7O4 InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)/p-1 AMKYESDOVDKZKV-UHFFFAOYSA-M 167.13878 167.03498 Cc1cc(O)cc(O)c1C([O-])=O CHEBI:11441 CHEBI:14700 CHEBI:25724 MetaCyc:CPD-47 Reaxys:14405027 2,4-dihydroxy-6-methylbenzoate chebi_ontology orsellinate CHEBI:16162 o-orsellinate Reaxys:14405027 Reaxys 2,4-dihydroxy-6-methylbenzoate IUPAC orsellinate UniProt A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). 0 CH4 InChI=1S/CH4/h1H4 VNWKTOKETHGBQD-UHFFFAOYSA-N 16.04246 16.03130 [H]C([H])([H])[H] CHEBI:14585 CHEBI:25220 CHEBI:6811 Beilstein:1718732 CAS:74-82-8 Gmelin:59 HMDB:HMDB0002714 KEGG:C01438 MetaCyc:CH4 PMID:17791569 PMID:23104415 PMID:23353606 PMID:23376302 PMID:23397538 PMID:23718889 PMID:23739479 PMID:23742231 PMID:23756351 PMID:24132456 PMID:24161402 PMID:24259373 Patent:FR994032 Patent:US2583090 Reaxys:1718732 UM-BBD_compID:c0095 Wikipedia:Methane Methane methane tetrahydridocarbon chebi_ontology CH4 Methan marsh gas metano methyl hydride CHEBI:16183 methane Beilstein:1718732 ChemIDplus CAS:74-82-8 ChemIDplus CAS:74-82-8 KEGG COMPOUND CAS:74-82-8 NIST Chemistry WebBook Gmelin:59 Gmelin PMID:17791569 Europe PMC PMID:23104415 Europe PMC PMID:23353606 Europe PMC PMID:23376302 Europe PMC PMID:23397538 Europe PMC PMID:23718889 Europe PMC PMID:23739479 Europe PMC PMID:23742231 Europe PMC PMID:23756351 Europe PMC PMID:24132456 Europe PMC PMID:24161402 Europe PMC PMID:24259373 Europe PMC Reaxys:1718732 Reaxys UM-BBD_compID:c0095 UM-BBD Methane KEGG_COMPOUND methane ChEBI methane IUPAC methane UniProt tetrahydridocarbon IUPAC CH4 IUPAC Methan ChEBI marsh gas NIST_Chemistry_WebBook metano ChEBI methyl hydride ChemIDplus A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid. -2 O4S InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 QAOWNCQODCNURD-UHFFFAOYSA-L 96.06360 95.95283 [O-]S([O-])(=O)=O CHEBI:15135 CHEBI:45687 CHEBI:9335 Beilstein:3648446 CAS:14808-79-8 Gmelin:2120 HMDB:HMDB0001448 KEGG:C00059 KEGG:D05963 MetaCyc:SULFATE PDBeChem:SO4 PMID:11200094 PMID:11452993 PMID:11581495 PMID:11798107 PMID:12166931 PMID:12668033 PMID:14597181 PMID:15093386 PMID:15984785 PMID:16186560 PMID:16345535 PMID:16347366 PMID:16348007 PMID:16483812 PMID:16534979 PMID:16656509 PMID:16742508 PMID:16742518 PMID:17120760 PMID:17420092 PMID:17439666 PMID:17709180 PMID:18398178 PMID:18815700 PMID:18846414 PMID:19047345 PMID:19244483 PMID:19544990 PMID:19628332 PMID:19812358 PMID:30398859 Reaxys:3648446 Wikipedia:Sulfate Sulfate sulfate tetraoxidosulfate(2-) tetraoxosulfate(2-) tetraoxosulfate(VI) chebi_ontology SO4(2-) SULFATE ION Sulfate anion(2-) Sulfate dianion Sulfate(2-) Sulfuric acid ion(2-) [SO4](2-) sulphate sulphate ion CHEBI:16189 sulfate Beilstein:3648446 Beilstein CAS:14808-79-8 ChemIDplus CAS:14808-79-8 NIST Chemistry WebBook Gmelin:2120 Gmelin PMID:11200094 Europe PMC PMID:11452993 Europe PMC PMID:11581495 Europe PMC PMID:11798107 Europe PMC PMID:12166931 Europe PMC PMID:12668033 Europe PMC PMID:14597181 Europe PMC PMID:15093386 Europe PMC PMID:15984785 Europe PMC PMID:16186560 Europe PMC PMID:16345535 Europe PMC PMID:16347366 Europe PMC PMID:16348007 Europe PMC PMID:16483812 Europe PMC PMID:16534979 Europe PMC PMID:16656509 Europe PMC PMID:16742508 Europe PMC PMID:16742518 Europe PMC PMID:17120760 Europe PMC PMID:17420092 Europe PMC PMID:17439666 Europe PMC PMID:17709180 Europe PMC PMID:18398178 Europe PMC PMID:18815700 Europe PMC PMID:18846414 Europe PMC PMID:19047345 Europe PMC PMID:19244483 Europe PMC PMID:19544990 Europe PMC PMID:19628332 Europe PMC PMID:19812358 Europe PMC PMID:30398859 Europe PMC Reaxys:3648446 Reaxys Sulfate KEGG_COMPOUND sulfate IUPAC sulfate UniProt tetraoxidosulfate(2-) IUPAC tetraoxosulfate(2-) IUPAC tetraoxosulfate(VI) IUPAC SO4(2-) IUPAC SULFATE ION PDBeChem Sulfate anion(2-) HMDB Sulfate dianion HMDB Sulfate(2-) HMDB Sulfuric acid ion(2-) HMDB [SO4](2-) IUPAC sulphate ChEBI sulphate ion ChEBI An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. 0 C18H34O2 InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- ZQPPMHVWECSIRJ-KTKRTIGZSA-N 282.46140 282.25588 CCCCCCCC\C=C/CCCCCCCC(O)=O CHEBI:104361 CHEBI:25664 CHEBI:44741 CHEBI:7741 Beilstein:1726542 CAS:112-80-1 DrugBank:DB04224 Drug_Central:3400 ECMDB:ECMDB21348 Gmelin:109551 Gmelin:57556 HMDB:HMDB0000207 KEGG:C00712 KEGG:D02315 KNApSAcK:C00001232 LIPID_MAPS_instance:LMFA01030002 PDBeChem:OLA PMID:11304127 PMID:15325315 PMID:15723125 PMID:18772370 PMID:19761868 PMID:23844805 PMID:24819471 PMID:25584012 PMID:25794012 PMID:5332408 PMID:6205897 Reaxys:1726542 Wikipedia:Oleic_acid (9Z)-octadec-9-enoic acid OLEIC ACID Oleic acid chebi_ontology (9Z)-Octadecenoic acid (Z)-Octadec-9-enoic acid 18:1 n-9 18:1Delta9cis C18:1 n-9 FA 18:1 Octadec-9-enoic acid Oelsaeure Oleate cis-9-octadecenoic acid cis-Delta(9)-octadecenoic acid cis-oleic acid CHEBI:16196 oleic acid Beilstein:1726542 Beilstein CAS:112-80-1 ChemIDplus CAS:112-80-1 KEGG COMPOUND CAS:112-80-1 NIST Chemistry WebBook Drug_Central:3400 DrugCentral Gmelin:109551 Gmelin Gmelin:57556 Gmelin LIPID_MAPS_instance:LMFA01030002 LIPID MAPS PMID:11304127 Europe PMC PMID:15325315 Europe PMC PMID:15723125 Europe PMC PMID:18772370 Europe PMC PMID:19761868 Europe PMC PMID:23844805 Europe PMC PMID:24819471 Europe PMC PMID:25584012 Europe PMC PMID:25794012 Europe PMC PMID:5332408 Europe PMC PMID:6205897 Europe PMC Reaxys:1726542 Reaxys (9Z)-octadec-9-enoic acid IUPAC OLEIC ACID PDBeChem Oleic acid KEGG_COMPOUND (9Z)-Octadecenoic acid KEGG_COMPOUND (Z)-Octadec-9-enoic acid KEGG_COMPOUND 18:1 n-9 ChEBI 18:1Delta9cis ChEBI C18:1 n-9 ChEBI FA 18:1 ChEBI Octadec-9-enoic acid ChEMBL Oelsaeure ChEBI Oleate KEGG_COMPOUND cis-9-octadecenoic acid NIST_Chemistry_WebBook cis-Delta(9)-octadecenoic acid ChemIDplus cis-oleic acid ChEBI A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O). carbamide http://langual.org 0 CH4N2O InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) XSQUKJJJFZCRTK-UHFFFAOYSA-N 60.05534 60.03236 NC(N)=O CHEBI:15292 CHEBI:27218 CHEBI:46379 CHEBI:9888 Beilstein:635724 CAS:57-13-6 Codex::927b DrugBank:DB03904 Drug_Central:4264 ECMDB:ECMDB04172 Europe::927b Gmelin:1378 HMDB:HMDB0000294 KEGG:C00086 KEGG:D00023 KNApSAcK:C00007314 MetaCyc:UREA PDBeChem:URE PMID:18037357 PMID:22770225 PPDB:1728 Reaxys:635724 UM-BBD_compID:c0165 Wikipedia:Urea YMDB:YMDB00003 http://www.langual.org/langual_thesaurus.asp?termid=B3058 UREA Urea urea chebi_ontology 1728 Carbamide E927b H2NC(O)NH2 Harnstoff Karbamid carbamide carbonyldiamide ur uree urea (carbamide) CHEBI:16199 LanguaL term definition: Food additive; technological purpose(s): flour treatment agent. urea Beilstein:635724 Beilstein CAS:57-13-6 ChemIDplus CAS:57-13-6 KEGG COMPOUND CAS:57-13-6 NIST Chemistry WebBook Drug_Central:4264 DrugCentral Gmelin:1378 Gmelin PMID:18037357 Europe PMC PMID:22770225 Europe PMC Reaxys:635724 Reaxys UM-BBD_compID:c0165 UM-BBD UREA PDBeChem Urea KEGG_COMPOUND urea IUPAC urea UniProt 1728 PPDB Carbamide KEGG_COMPOUND E927b ChEBI H2NC(O)NH2 ChEBI Harnstoff NIST_Chemistry_WebBook Karbamid ChEBI carbamide ChEBI carbonyldiamide NIST_Chemistry_WebBook ur IUPAC uree ChEBI A divalent inorganic anion obtained by removal of both protons from phosphonic acid -2 HO3P InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2 ABLZXFCXXLZCGV-UHFFFAOYSA-L 79.97990 79.96743 [H]P([O-])([O-])=O CHEBI:14820 CHEBI:39856 CHEBI:8154 Gmelin:1618 KEGG:C06701 MetaCyc:PHOSPHONATE PDBeChem:2PO hydridotrioxidophosphate(2-) hydridotrioxophosphate(2-) chebi_ontology PHO3(2-) PHOSPHONATE Phosphonate [PHO3](2-) phosphonate CHEBI:16215 phosphonate(2-) Gmelin:1618 Gmelin hydridotrioxidophosphate(2-) IUPAC hydridotrioxophosphate(2-) IUPAC PHO3(2-) IUPAC PHOSPHONATE PDBeChem Phosphonate KEGG_COMPOUND [PHO3](2-) IUPAC phosphonate IUPAC phosphonate UniProt The arsenic oxoanion that is the conjugate base of dimethylarsinic acid. -1 C2H6AsO2 InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1 OGGXGZAMXPVRFZ-UHFFFAOYSA-M 136.98944 136.95892 C[As](C)([O-])=O CHEBI:14171 CHEBI:23807 CHEBI:4619 CHEBI:48763 KEGG:C07308 PDBeChem:CAC PMID:19657532 PMID:21093857 UM-BBD_compID:c0753 Dimethylarsinate dimethylarsinate chebi_ontology CACODYLATE ION DMA Kakodylat Me2AsO2(-) [As(CH3)2O2](-) CHEBI:16223 dimethylarsinate PMID:19657532 Europe PMC PMID:21093857 Europe PMC UM-BBD_compID:c0753 UM-BBD Dimethylarsinate KEGG_COMPOUND dimethylarsinate IUPAC dimethylarsinate UniProt CACODYLATE ION PDBeChem DMA ChEBI Kakodylat ChEBI Me2AsO2(-) ChEBI [As(CH3)2O2](-) ChEBI An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines. 0 C5H5N InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H JUJWROOIHBZHMG-UHFFFAOYSA-N 79.09990 79.04220 c1ccncc1 CHEBI:14974 CHEBI:26415 CHEBI:8662 Beilstein:103233 CAS:110-86-1 Gmelin:1996 HMDB:HMDB0000926 KEGG:C00747 PDBeChem:0PY PMID:24364496 PMID:24425539 PMID:8070089 Reaxys:103233 Wikipedia:Pyridine Pyridine pyridine chebi_ontology Azabenzene py CHEBI:16227 pyridine Beilstein:103233 Beilstein CAS:110-86-1 ChemIDplus CAS:110-86-1 KEGG COMPOUND CAS:110-86-1 NIST Chemistry WebBook Gmelin:1996 Gmelin PMID:24364496 Europe PMC PMID:24425539 Europe PMC PMID:8070089 Europe PMC Reaxys:103233 Reaxys Pyridine KEGG_COMPOUND pyridine IUPAC pyridine UniProt Azabenzene KEGG_COMPOUND py IUPAC -1 HO InChI=1S/H2O/h1H2/p-1 XLYOFNOQVPJJNP-UHFFFAOYSA-M 17.00734 17.00329 [O-][H] CHEBI:13365 CHEBI:13419 CHEBI:44641 CHEBI:5594 CAS:14280-30-9 Gmelin:24714 KEGG:C01328 PDBeChem:OH hydridooxygenate(1-) hydroxide oxidanide chebi_ontology HO- HYDROXIDE ION Hydroxide ion OH(-) OH- CHEBI:16234 hydroxide CAS:14280-30-9 ChemIDplus CAS:14280-30-9 NIST Chemistry WebBook CAS:14280-30-9 ChemIDplus CAS:14280-30-9 NIST Chemistry WebBook Gmelin:24714 Gmelin Gmelin:24714 Gmelin hydridooxygenate(1-) IUPAC hydroxide IUPAC oxidanide IUPAC HO- KEGG_COMPOUND HYDROXIDE ION PDBeChem Hydroxide ion KEGG_COMPOUND OH(-) IUPAC OH- KEGG_COMPOUND A 2-aminopurine carrying a 6-oxo substituent. 0 C5H5N5O InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) UYTPUPDQBNUYGX-UHFFFAOYSA-N 151.126 151.04941 C12=C(N=C(NC1=O)N)NC=N2 CHEBI:14371 CHEBI:14372 CHEBI:24443 CHEBI:42948 CHEBI:5563 Beilstein:147911 CAS:73-40-5 DrugBank:DB02377 Gmelin:431879 HMDB:HMDB0000132 KEGG:C00242 KNApSAcK:C00001501 MetaCyc:GUANINE PDBeChem:GUN PMID:22770225 PMID:8070089 Reaxys:147911 Wikipedia:Guanine 2-amino-1,9-dihydro-6H-purin-6-one GUANINE Guanine guanine chebi_ontology 2-Amino-6-hydroxypurine 2-amino-6-oxopurine G Gua CHEBI:16235 guanine Beilstein:147911 Beilstein CAS:73-40-5 ChemIDplus CAS:73-40-5 KEGG COMPOUND CAS:73-40-5 NIST Chemistry WebBook Gmelin:431879 Gmelin PMID:22770225 Europe PMC PMID:8070089 Europe PMC Reaxys:147911 Reaxys 2-amino-1,9-dihydro-6H-purin-6-one IUPAC GUANINE PDBeChem Guanine KEGG_COMPOUND guanine UniProt 2-Amino-6-hydroxypurine KEGG_COMPOUND 2-amino-6-oxopurine ChEBI G ChEBI Gua CBN A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. 0 C2H6O InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 LFQSCWFLJHTTHZ-UHFFFAOYSA-N 46.06844 46.04186 CCO CHEBI:14222 CHEBI:23978 CHEBI:30878 CHEBI:30880 CHEBI:42377 CHEBI:44594 CHEBI:4879 Beilstein:1718733 CAS:64-17-5 DrugBank:DB00898 Drug_Central:1076 Gmelin:787 HMDB:HMDB0000108 KEGG:C00469 KEGG:D00068 KEGG:D06542 KNApSAcK:C00019560 MetaCyc:ETOH MolBase:858 MolBase:859 PDBeChem:EOH PMID:11046114 PMID:11090978 PMID:11198720 PMID:11200745 PMID:11262320 PMID:11303910 PMID:11333032 PMID:11505026 PMID:11590970 PMID:11728426 PMID:11750186 PMID:11754521 PMID:11810019 PMID:11826039 PMID:11981228 PMID:12824058 PMID:12829422 PMID:12888778 PMID:12946583 PMID:14674846 PMID:15019421 PMID:15239123 PMID:15285839 PMID:15464411 PMID:15465973 PMID:15749123 PMID:15900217 PMID:15902919 PMID:16084479 PMID:16133132 PMID:16352430 PMID:16390872 PMID:16737463 PMID:16891664 PMID:16934862 PMID:17043811 PMID:17190852 PMID:17663926 PMID:17687877 PMID:18095657 PMID:18249266 PMID:18320157 PMID:18347649 PMID:18408978 PMID:18411066 PMID:18456322 PMID:18513832 PMID:18922656 PMID:18925476 PMID:19280886 PMID:19359288 PMID:19384566 PMID:19458312 PMID:19851413 PMID:19901811 PMID:21600756 PMID:21762181 PMID:21881875 PMID:21967628 PMID:22019193 PMID:22222864 PMID:22261437 PMID:22286266 PMID:22306018 PMID:22331491 PMID:22336593 PPDB:1373 Reaxys:1718733 UM-BBD_compID:c0038 Wikipedia:Ethanol ETHANOL Ethanol ethanol chebi_ontology 1-hydroxyethane Aethanol Aethylalkohol Alkohol C2H5OH Dehydrated ethanol EtOH Ethyl alcohol Methylcarbinol [CH2Me(OH)] [OEtH] alcohol alcohol etilico alcool ethylique etanol hydroxyethane spiritus vini CHEBI:16236 ethanol Beilstein:1718733 Beilstein Beilstein:1718733 Beilstein CAS:64-17-5 ChemIDplus CAS:64-17-5 KEGG COMPOUND CAS:64-17-5 NIST Chemistry WebBook CAS:64-17-5 ChemIDplus CAS:64-17-5 KEGG COMPOUND CAS:64-17-5 NIST Chemistry WebBook Drug_Central:1076 DrugCentral Drug_Central:1076 DrugCentral Gmelin:787 Gmelin Gmelin:787 Gmelin PMID:11046114 Europe PMC PMID:11046114 Europe PMC PMID:11090978 Europe PMC PMID:11090978 Europe PMC PMID:11198720 Europe PMC PMID:11198720 Europe PMC PMID:11200745 Europe PMC PMID:11200745 Europe PMC PMID:11262320 Europe PMC PMID:11262320 Europe PMC PMID:11303910 Europe PMC PMID:11303910 Europe PMC PMID:11333032 Europe PMC PMID:11333032 Europe PMC PMID:11505026 Europe PMC PMID:11505026 Europe PMC PMID:11590970 Europe PMC PMID:11590970 Europe PMC PMID:11728426 Europe PMC PMID:11728426 Europe PMC PMID:11750186 Europe PMC PMID:11750186 Europe PMC PMID:11754521 Europe PMC PMID:11754521 Europe PMC PMID:11810019 Europe PMC PMID:11810019 Europe PMC PMID:11826039 Europe PMC PMID:11826039 Europe PMC PMID:11981228 Europe PMC PMID:11981228 Europe PMC PMID:12824058 Europe PMC PMID:12824058 Europe PMC PMID:12829422 Europe PMC PMID:12829422 Europe PMC PMID:12888778 Europe PMC PMID:12888778 Europe PMC PMID:12946583 Europe PMC PMID:12946583 Europe PMC PMID:14674846 Europe PMC PMID:14674846 Europe PMC PMID:15019421 Europe PMC PMID:15019421 Europe PMC PMID:15239123 Europe PMC PMID:15239123 Europe PMC PMID:15285839 Europe PMC PMID:15285839 Europe PMC PMID:15464411 Europe PMC PMID:15464411 Europe PMC PMID:15465973 Europe PMC PMID:15465973 Europe PMC PMID:15749123 Europe PMC PMID:15749123 Europe PMC PMID:15900217 Europe PMC PMID:15900217 Europe PMC PMID:15902919 Europe PMC PMID:15902919 Europe PMC PMID:16084479 Europe PMC PMID:16084479 Europe PMC PMID:16133132 Europe PMC PMID:16133132 Europe PMC PMID:16352430 Europe PMC PMID:16352430 Europe PMC PMID:16390872 Europe PMC PMID:16390872 Europe PMC PMID:16737463 Europe PMC PMID:16737463 Europe PMC PMID:16891664 Europe PMC PMID:16891664 Europe PMC PMID:16934862 Europe PMC PMID:16934862 Europe PMC PMID:17043811 Europe PMC PMID:17043811 Europe PMC PMID:17190852 Europe PMC PMID:17190852 Europe PMC PMID:17663926 Europe PMC PMID:17663926 Europe PMC PMID:17687877 Europe PMC PMID:17687877 Europe PMC PMID:18095657 Europe PMC PMID:18095657 Europe PMC PMID:18249266 Europe PMC PMID:18249266 Europe PMC PMID:18320157 Europe PMC PMID:18320157 Europe PMC PMID:18347649 Europe PMC PMID:18347649 Europe PMC PMID:18408978 Europe PMC PMID:18408978 Europe PMC PMID:18411066 Europe PMC PMID:18411066 Europe PMC PMID:18456322 Europe PMC PMID:18456322 Europe PMC PMID:18513832 Europe PMC PMID:18513832 Europe PMC PMID:18922656 Europe PMC PMID:18922656 Europe PMC PMID:18925476 Europe PMC PMID:18925476 Europe PMC PMID:19280886 Europe PMC PMID:19280886 Europe PMC PMID:19359288 Europe PMC PMID:19359288 Europe PMC PMID:19384566 Europe PMC PMID:19384566 Europe PMC PMID:19458312 Europe PMC PMID:19458312 Europe PMC PMID:19851413 Europe PMC PMID:19851413 Europe PMC PMID:19901811 Europe PMC PMID:19901811 Europe PMC PMID:21600756 Europe PMC PMID:21600756 Europe PMC PMID:21762181 Europe PMC PMID:21762181 Europe PMC PMID:21881875 Europe PMC PMID:21881875 Europe PMC PMID:21967628 Europe PMC PMID:21967628 Europe PMC PMID:22019193 Europe PMC PMID:22019193 Europe PMC PMID:22222864 Europe PMC PMID:22222864 Europe PMC PMID:22261437 Europe PMC PMID:22261437 Europe PMC PMID:22286266 Europe PMC PMID:22286266 Europe PMC PMID:22306018 Europe PMC PMID:22306018 Europe PMC PMID:22331491 Europe PMC PMID:22331491 Europe PMC PMID:22336593 Europe PMC PMID:22336593 Europe PMC Reaxys:1718733 Reaxys Reaxys:1718733 Reaxys UM-BBD_compID:c0038 UM-BBD UM-BBD_compID:c0038 UM-BBD ETHANOL PDBeChem Ethanol KEGG_COMPOUND ethanol ChEBI ethanol IUPAC ethanol UniProt 1-hydroxyethane ChemIDplus Aethanol ChemIDplus Aethylalkohol ChemIDplus Alkohol ChemIDplus C2H5OH ChEBI Dehydrated ethanol KEGG_DRUG EtOH ChemIDplus Ethyl alcohol KEGG_COMPOUND Methylcarbinol KEGG_COMPOUND [CH2Me(OH)] MolBase [OEtH] MolBase alcohol NIST_Chemistry_WebBook alcohol etilico ChEBI alcool ethylique ChemIDplus etanol ChEBI hydroxyethane ChemIDplus spiritus vini ChEBI An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond. 0 H2O2 InChI=1S/H2O2/c1-2/h1-2H MHAJPDPJQMAIIY-UHFFFAOYSA-N 34.01468 34.00548 [H]OO[H] CHEBI:13354 CHEBI:13355 CHEBI:24637 CHEBI:44812 CHEBI:5586 Beilstein:3587191 CAS:7722-84-1 Drug_Central:3281 Gmelin:509 HMDB:HMDB0003125 KEGG:C00027 KEGG:D00008 MetaCyc:HYDROGEN-PEROXIDE MolBase:932 PDBeChem:PEO PMID:10455187 PMID:10557015 PMID:10849784 PMID:11033421 PMID:11105916 PMID:11318558 PMID:11387393 PMID:11809417 PMID:11864786 PMID:11893576 PMID:12867293 PMID:12934880 PMID:14679422 PMID:15028418 PMID:15133946 PMID:15298493 PMID:16337875 PMID:16463018 PMID:16864869 PMID:17020896 PMID:17179007 PMID:17610934 PMID:17948137 PMID:18179203 PMID:18182702 PMID:18306736 PMID:18443210 PMID:18592736 PMID:19107210 PMID:19229032 PMID:19297450 PMID:19509065 PMID:26352695 PMID:26365231 PMID:7548021 PMID:7581816 PMID:8048546 PMID:8375042 PMID:8451754 PMID:9051670 PMID:9100841 PMID:9168257 PMID:9202721 PMID:9558114 PPDB:387 Reaxys:3587191 Wikipedia:Hydrogen_peroxide HYDROGEN PEROXIDE Hydrogen peroxide bis(hydridooxygen)(O--O) dihydrogen peroxide dihydrogen(peroxide) dioxidane hydrogen peroxide chebi_ontology H2O2 HOOH Oxydol [OH(OH)] dihydrogen dioxide perhydrol CHEBI:16240 hydrogen peroxide Beilstein:3587191 Beilstein CAS:7722-84-1 ChemIDplus CAS:7722-84-1 KEGG COMPOUND CAS:7722-84-1 NIST Chemistry WebBook Drug_Central:3281 DrugCentral Gmelin:509 Gmelin PMID:10455187 Europe PMC PMID:10557015 Europe PMC PMID:10849784 Europe PMC PMID:11033421 Europe PMC PMID:11105916 Europe PMC PMID:11318558 Europe PMC PMID:11387393 Europe PMC PMID:11809417 Europe PMC PMID:11864786 Europe PMC PMID:11893576 Europe PMC PMID:12867293 Europe PMC PMID:12934880 Europe PMC PMID:14679422 Europe PMC PMID:15028418 Europe PMC PMID:15133946 Europe PMC PMID:15298493 Europe PMC PMID:16337875 Europe PMC PMID:16463018 Europe PMC PMID:16864869 Europe PMC PMID:17020896 Europe PMC PMID:17179007 Europe PMC PMID:17610934 Europe PMC PMID:17948137 Europe PMC PMID:18179203 Europe PMC PMID:18182702 Europe PMC PMID:18306736 Europe PMC PMID:18443210 Europe PMC PMID:18592736 Europe PMC PMID:19107210 Europe PMC PMID:19229032 Europe PMC PMID:19297450 Europe PMC PMID:19509065 Europe PMC PMID:26352695 Europe PMC PMID:26365231 Europe PMC PMID:7548021 Europe PMC PMID:7581816 Europe PMC PMID:8048546 Europe PMC PMID:8375042 Europe PMC PMID:8451754 Europe PMC PMID:9051670 Europe PMC PMID:9100841 Europe PMC PMID:9168257 Europe PMC PMID:9202721 Europe PMC PMID:9558114 Europe PMC Reaxys:3587191 Reaxys HYDROGEN PEROXIDE PDBeChem Hydrogen peroxide KEGG_COMPOUND bis(hydridooxygen)(O--O) IUPAC dihydrogen peroxide IUPAC dihydrogen(peroxide) IUPAC dioxidane IUPAC hydrogen peroxide IUPAC H2O2 KEGG_COMPOUND H2O2 UniProt HOOH IUPAC Oxydol KEGG_COMPOUND [OH(OH)] MolBase dihydrogen dioxide IUPAC perhydrol MetaCyc A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. 0 C15H10O7 InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 302.238 302.04265 OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 CHEBI:11704 CHEBI:14991 CHEBI:26472 CHEBI:45280 CHEBI:8696 Beilstein:317313 CAS:117-39-5 DrugBank:DB04216 Drug_Central:3514 FooDB:FDB011904 Gmelin:579210 HMDB:HMDB0005794 KEGG:C00389 KNApSAcK:C00004631 LINCS:LSM-4199 LIPID_MAPS_instance:LMPK12110004 MetaCyc:CPD-520 PDBeChem:QUE PMID:16226777 PMID:17015250 PMID:17135030 PMID:17426744 PMID:18096136 PMID:18484521 PMID:18549926 PMID:18564899 PMID:18579649 PMID:18785622 PMID:19043800 PMID:19461927 PMID:22920589 PMID:23342112 PMID:23359794 PMID:27565033 PMID:27589790 PMID:27591927 PMID:27704720 Patent:KR20120121684 Patent:US2013012577 Reaxys:317313 Wikipedia:Quercetin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one Quercetin chebi_ontology 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 3,3',4',5,7-pentahydroxyflavone 3,5,7,3',4'-PENTAHYDROXYFLAVONE 3,5,7,3',4'-Pentahydroxyflavone sophoretin xanthaurine CHEBI:16243 quercetin quercetin A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. CHEBI:14816 CHEBI:26063 CHEBI:8150 KEGG:C00865 Phospholipid chebi_ontology a phospholipid derivative phospholipids CHEBI:16247 phospholipid Phospholipid KEGG_COMPOUND a phospholipid derivative UniProt phospholipids ChEBI A member of the class of 2-nitrophenols that is phenol in which one of the hydrogens that is ortho to the hydroxy group has been replaced by a nitro group. 0 C6H5NO3 InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H IQUPABOKLQSFBK-UHFFFAOYSA-N 139.10880 139.02694 Oc1ccccc1[N+]([O-])=O CHEBI:11631 CHEBI:1225 CHEBI:19726 Beilstein:775403 CAS:88-75-5 Gmelin:101867 KEGG:C01988 MetaCyc:CPD-258 PMID:23796307 PMID:24347320 Reaxys:775403 2-Nitrophenol 2-nitrophenol chebi_ontology 2-hydroxynitrobenzene o-hydroxynitrobenzene o-nitrophenol CHEBI:16260 2-nitrophenol Beilstein:775403 Beilstein CAS:88-75-5 ChemIDplus CAS:88-75-5 KEGG COMPOUND CAS:88-75-5 NIST Chemistry WebBook Gmelin:101867 Gmelin PMID:23796307 Europe PMC PMID:24347320 Europe PMC Reaxys:775403 Reaxys 2-Nitrophenol KEGG_COMPOUND 2-nitrophenol IUPAC 2-hydroxynitrobenzene NIST_Chemistry_WebBook o-hydroxynitrobenzene NIST_Chemistry_WebBook o-nitrophenol ChemIDplus A nitroalkane that is ethane substituted by a nitro group. 0 C2H5NO2 InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 MCSAJNNLRCFZED-UHFFFAOYSA-N 75.06660 75.06664 75.03203 CC[N+]([O-])=O CHEBI:116697 CHEBI:14659 CHEBI:25554 CHEBI:7589 Beilstein:1209324 CAS:79-24-3 Gmelin:68639 KEGG:C01837 MetaCyc:CPD-12077 PDBeChem:NIE PMID:18491914 PMID:24963606 Reaxys:1209324 Wikipedia:Nitroethane Nitroethane nitroethane chebi_ontology 1-nitroethane Nitroethan CHEBI:16268 nitroethane Beilstein:1209324 Beilstein CAS:79-24-3 ChemIDplus CAS:79-24-3 KEGG COMPOUND CAS:79-24-3 NIST Chemistry WebBook Gmelin:68639 Gmelin PMID:18491914 Europe PMC PMID:24963606 Europe PMC Reaxys:1209324 Reaxys Nitroethane KEGG_COMPOUND nitroethane IUPAC nitroethane UniProt 1-nitroethane NIST_Chemistry_WebBook Nitroethan ChEBI A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups. 0 C8H11N InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 JLTDJTHDQAWBAV-UHFFFAOYSA-N 121.17968 121.08915 CN(C)c1ccccc1 CHEBI:12423 CHEBI:21452 CHEBI:7074 CAS:121-69-7 HMDB:HMDB0001020 KEGG:C02846 MetaCyc:NN-DIMETHYLANILINE PMID:24315030 Reaxys:507140 Wikipedia:Dimethylaniline N,N-Dimethylaniline N,N-dimethylaniline chebi_ontology Dimethylaminobenzene Dimethylaniline Dimethylphenylamine N,N-Dimethyl-N-phenylamine N,N-Dimethylbenzenamine N,N-Dimethylbenzeneamine N,N-Dimethylphenylamine CHEBI:16269 N,N-dimethylaniline CAS:121-69-7 ChemIDplus CAS:121-69-7 KEGG COMPOUND CAS:121-69-7 NIST Chemistry WebBook PMID:24315030 Europe PMC Reaxys:507140 Reaxys N,N-Dimethylaniline KEGG_COMPOUND N,N-dimethylaniline UniProt Dimethylaminobenzene KEGG_COMPOUND Dimethylaniline ChemIDplus Dimethylphenylamine ChemIDplus N,N-Dimethyl-N-phenylamine NIST_Chemistry_WebBook N,N-Dimethylbenzenamine KEGG_COMPOUND N,N-Dimethylbenzeneamine NIST_Chemistry_WebBook N,N-Dimethylphenylamine ChemIDplus A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a halogen atom. 0 C2H3O2X 59.044 59.01330 OC(=O)C* CHEBI:14385 CHEBI:24467 CHEBI:5608 KEGG:C01812 chebi_ontology CHEBI:16277 haloacetic acid The nitrogen oxoanion formed by loss of a proton from nitrous acid. -1 NO2 InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1 IOVCWXUNBOPUCH-UHFFFAOYSA-M 46.00554 45.99345 [O-]N=O CHEBI:14658 CHEBI:44396 CHEBI:7585 CAS:14797-65-0 Gmelin:977 KEGG:C00088 PDBeChem:NO2 Wikipedia:Nitrite Nitrite dioxidonitrate(1-) dioxonitrate(1-) dioxonitrate(III) nitrite chebi_ontology NITRITE ION NO2 NO2(-) Nitrit [NO2](-) nitrite anion nitrite(1-) nitrous acid, ion(1-) CHEBI:16301 nitrite CAS:14797-65-0 ChemIDplus CAS:14797-65-0 NIST Chemistry WebBook Gmelin:977 Gmelin Nitrite KEGG_COMPOUND dioxidonitrate(1-) IUPAC dioxonitrate(1-) IUPAC dioxonitrate(III) IUPAC nitrite IUPAC nitrite UniProt NITRITE ION PDBeChem NO2 ChEBI NO2(-) IUPAC Nitrit ChEBI [NO2](-) IUPAC nitrite anion ChemIDplus nitrite(1-) ChemIDplus nitrous acid, ion(1-) ChemIDplus The D-enantiomer of proline. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N 115.13050 115.06333 OC(=O)[C@H]1CCCN1 CHEBI:13008 CHEBI:21070 CHEBI:42012 CHEBI:42129 CHEBI:42213 CHEBI:4226 CHEBI:45156 Beilstein:80811 CAS:344-25-2 DrugBank:DB02853 Gmelin:833984 HMDB:HMDB0003411 KEGG:C00763 MetaCyc:D-PROLINE PDBeChem:DPR PMID:19023642 PMID:20023020 PMID:20959625 PMID:21374575 PMID:21563681 PMID:22475019 PMID:22479580 Reaxys:80811 Wikipedia:D-proline D-PROLINE D-Proline D-proline chebi_ontology (2R)-pyrrolidine-2-carboxylic acid (R)-2-Carboxypyrrolidine (R)-pyrrolidine-2-carboxylic acid D-Prolin DPR CHEBI:16313 D-proline Beilstein:80811 Beilstein CAS:344-25-2 ChemIDplus CAS:344-25-2 KEGG COMPOUND Gmelin:833984 Gmelin PMID:19023642 Europe PMC PMID:20023020 Europe PMC PMID:20959625 Europe PMC PMID:21374575 Europe PMC PMID:21563681 Europe PMC PMID:22475019 Europe PMC PMID:22479580 Europe PMC Reaxys:80811 Reaxys D-PROLINE PDBeChem D-Proline KEGG_COMPOUND D-proline IUPAC (2R)-pyrrolidine-2-carboxylic acid IUPAC (R)-2-Carboxypyrrolidine HMDB (R)-pyrrolidine-2-carboxylic acid ChEBI D-Prolin ChEBI DPR PDBeChem A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. 0 C10H13N5O4 InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 267.24152 267.09675 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHEBI:13734 CHEBI:22237 CHEBI:2472 CHEBI:40558 CHEBI:40825 CHEBI:40906 Beilstein:93029 CAS:58-61-7 DrugBank:DB00640 Drug_Central:90 ECMDB:ECMDB00050 Gmelin:53385 HMDB:HMDB0000050 KEGG:C00212 KEGG:D00045 KNApSAcK:C00007444 LINCS:LSM-28568 MetaCyc:ADENOSINE PDBeChem:ADN PMID:11213237 PMID:11820865 PMID:11978011 PMID:16183671 PMID:16917093 PMID:17190852 PMID:18000974 PMID:323854 Reaxys:93029 Wikipedia:Adenosine YMDB:YMDB00058 ADENOSINE Adenosine adenosine chebi_ontology (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 6-Amino-9-beta-D-ribofuranosyl-9H-purine 9-beta-D-Ribofuranosidoadenine 9-beta-D-Ribofuranosyl-9H-purin-6-amine 9-beta-D-ribofuranosyl-9H-purin-6-amine Ade-Rib Adenine Deoxyribonucleoside Adenocard Adenocor Adenoscan Adenosin Adenyldeoxyriboside Ado Deoxyadenosine Desoxyadenosine beta-D-Adenosine CHEBI:16335 adenosine Beilstein:93029 Beilstein CAS:58-61-7 ChemIDplus CAS:58-61-7 KEGG COMPOUND CAS:58-61-7 NIST Chemistry WebBook Drug_Central:90 DrugCentral Gmelin:53385 Gmelin PMID:11213237 Europe PMC PMID:11820865 Europe PMC PMID:11978011 Europe PMC PMID:16183671 Europe PMC PMID:16917093 Europe PMC PMID:17190852 Europe PMC PMID:18000974 Europe PMC PMID:323854 Europe PMC Reaxys:93029 Reaxys ADENOSINE PDBeChem Adenosine KEGG_COMPOUND adenosine IUPAC adenosine UniProt (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol DrugBank 6-Amino-9-beta-D-ribofuranosyl-9H-purine ChemIDplus 9-beta-D-Ribofuranosidoadenine ChemIDplus 9-beta-D-Ribofuranosyl-9H-purin-6-amine ChemIDplus 9-beta-D-ribofuranosyl-9H-purin-6-amine ChEBI Ade-Rib CBN Adenine Deoxyribonucleoside DrugBank Adenocard DrugBank Adenocor DrugBank Adenoscan DrugBank Adenosin ChEBI Adenyldeoxyriboside DrugBank Ado CBN Deoxyadenosine DrugBank Desoxyadenosine DrugBank beta-D-Adenosine ChemIDplus A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine. 0 C10H12N5O7P InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 ZOOGRGPOEVQQDX-UUOKFMHZSA-N 345.20554 345.04743 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O CHEBI:11675 CHEBI:1327 CHEBI:14377 CHEBI:19829 CHEBI:39915 CHEBI:44955 CHEBI:44957 CAS:7665-99-8 DrugBank:DB02315 HMDB:HMDB0001314 KEGG:C00942 KNApSAcK:C00019673 PDBeChem:35G PDBeChem:PCG PMID:24591051 PMID:24705918 Reaxys:586222 3',5'-Cyclic GMP guanosine 3',5'-(hydrogen phosphate) chebi_ontology Cyclic GMP Guanosine 3',5'-cyclic monophosphate Guanosine 3',5'-cyclic phosphate Guanosine cyclic monophosphate cGMP CHEBI:16356 3',5'-cyclic GMP CAS:7665-99-8 ChemIDplus CAS:7665-99-8 KEGG COMPOUND PMID:24591051 Europe PMC PMID:24705918 Europe PMC Reaxys:586222 Reaxys 3',5'-Cyclic GMP KEGG_COMPOUND guanosine 3',5'-(hydrogen phosphate) IUPAC Cyclic GMP KEGG_COMPOUND Guanosine 3',5'-cyclic monophosphate KEGG_COMPOUND Guanosine 3',5'-cyclic phosphate KEGG_COMPOUND Guanosine cyclic monophosphate ChemIDplus cGMP KEGG_COMPOUND Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position. 0 (C5H8)nC11H8O2 CHEBI:14582 CHEBI:25184 CHEBI:6749 CAS:11032-49-8 KEGG:C00828 Wikipedia:Vitamin_K2 Menaquinone chebi_ontology MK-n Menatetrenone a menaquinone menaquinone-n vitamin K2 CHEBI:16374 menaquinone menaquinone An optically active form of cysteine having D-configuration. 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-N 121.15922 121.01975 N[C@H](CS)C(O)=O CHEBI:12919 CHEBI:20921 CHEBI:4111 CHEBI:41887 Beilstein:1721407 CAS:921-01-7 DrugBank:DB03201 ECMDB:ECMDB03417 Gmelin:363236 HMDB:HMDB0003417 KEGG:C00793 KNApSAcK:C00007323 PDBeChem:DCY PMID:13761469 PMID:23340406 PMID:24800864 Reaxys:1721407 YMDB:YMDB00913 D-CYSTEINE D-Cysteine D-cysteine chebi_ontology (2S)-2-amino-3-mercaptopropanoic acid (2S)-2-amino-3-sulfanylpropanoic acid (S)-2-amino-3-mercaptopropanoic acid D-Amino-3-mercaptopropionic acid D-Cystein D-Zystein DCY CHEBI:16375 D-cysteine Beilstein:1721407 Beilstein CAS:921-01-7 ChemIDplus CAS:921-01-7 KEGG COMPOUND Gmelin:363236 Gmelin PMID:13761469 Europe PMC PMID:23340406 Europe PMC PMID:24800864 Europe PMC Reaxys:1721407 Reaxys D-CYSTEINE PDBeChem D-Cysteine KEGG_COMPOUND D-cysteine IUPAC (2S)-2-amino-3-mercaptopropanoic acid JCBN (2S)-2-amino-3-sulfanylpropanoic acid IUPAC (S)-2-amino-3-mercaptopropanoic acid ChEBI D-Amino-3-mercaptopropionic acid KEGG_COMPOUND D-Cystein ChEBI D-Zystein ChEBI DCY PDBeChem Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers. 0 SR2 32.066 31.97207 CHEBI:13694 CHEBI:26960 CHEBI:9340 KEGG:C00297 sulfides chebi_ontology RSR Sulfide Thioether organic sulfides thioethers CHEBI:16385 organic sulfide sulfides IUPAC RSR IUPAC Sulfide KEGG_COMPOUND Thioether KEGG_COMPOUND organic sulfides ChEBI thioethers IUPAC Any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants. ubiquinones The simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes. 0 CH3NO InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) ZHNUHDYFZUAESO-UHFFFAOYSA-N 45.04066 45.02146 [H]C(N)=O CHEBI:14275 CHEBI:24078 CHEBI:40895 CHEBI:5143 Beilstein:505995 CAS:75-12-7 Gmelin:824 HMDB:HMDB0001536 KEGG:C00488 MetaCyc:FORMAMIDE PDBeChem:ARF PMID:11282235 PMID:11545392 PMID:12115814 PMID:14750843 PMID:15082074 PMID:17184725 PMID:19334838 PMID:21215846 PMID:21229996 PMID:21573300 PMID:21647491 PMID:21647492 PMID:21769603 PMID:21932847 Reaxys:505995 UM-BBD_compID:c0796 Wikipedia:Formamide FORMAMIDE Formamide formamide chebi_ontology Ameisensaeureamid Formamid Methanamid Methanamide carbamaldehyde formimidic acid CHEBI:16397 formamide Beilstein:505995 Beilstein CAS:75-12-7 ChemIDplus CAS:75-12-7 KEGG COMPOUND CAS:75-12-7 NIST Chemistry WebBook Gmelin:824 Gmelin PMID:11282235 Europe PMC PMID:11545392 Europe PMC PMID:12115814 Europe PMC PMID:14750843 Europe PMC PMID:15082074 Europe PMC PMID:17184725 Europe PMC PMID:19334838 Europe PMC PMID:21215846 Europe PMC PMID:21229996 Europe PMC PMID:21573300 Europe PMC PMID:21647491 Europe PMC PMID:21647492 Europe PMC PMID:21769603 Europe PMC PMID:21932847 Europe PMC Reaxys:505995 Reaxys UM-BBD_compID:c0796 UM-BBD FORMAMIDE PDBeChem Formamide KEGG_COMPOUND formamide IUPAC formamide UniProt Ameisensaeureamid ChEBI Formamid ChEBI Methanamid ChEBI Methanamide KEGG_COMPOUND carbamaldehyde NIST_Chemistry_WebBook formimidic acid ChemIDplus Liposaccharide natural compounds consisting of a trisaccharide repeating unit (two heptose units and octulosonic acid) with oligosaccharide side chains and 3-hydroxytetradecanoic acid units (they are a major constituent of the cell walls of Gram-negative bacteria). CHEBI:14520 CHEBI:25062 CHEBI:6494 KEGG:C00338 PMID:15589368 PMID:24186868 PMID:24506665 PMID:24642373 PMID:24659348 Lipopolysaccharide chebi_ontology LPS lipopolysaccharides CHEBI:16412 lipopolysaccharide PMID:15589368 Europe PMC PMID:24186868 Europe PMC PMID:24506665 Europe PMC PMID:24642373 Europe PMC PMID:24659348 Europe PMC Lipopolysaccharide KEGG_COMPOUND LPS KEGG_COMPOUND lipopolysaccharides ChEBI The L-enantiomer of valine. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N 117.14638 117.07898 CC(C)[C@H](N)C(O)=O CHEBI:13186 CHEBI:21417 CHEBI:46282 CHEBI:46376 CHEBI:46418 CHEBI:46484 CHEBI:6321 Beilstein:1721136 CAS:72-18-4 DrugBank:DB00161 Drug_Central:4128 Gmelin:2827 HMDB:HMDB0000883 KEGG:C00183 KEGG:D00039 KNApSAcK:C00001398 MetaCyc:VAL PDBeChem:VAL PMID:14608070 PMID:17670823 PMID:21706252 PMID:22138982 PMID:22287678 PMID:22585822 Reaxys:1721136 Wikipedia:L-valine L-Valine L-valine chebi_ontology (2S)-2-amino-3-methylbutanoic acid (S)-valine 2-Amino-3-methylbutyric acid L-(+)-alpha-Aminoisovaleric acid L-Valin L-alpha-Amino-beta-methylbutyric acid V VALINE Val CHEBI:16414 L-valine Beilstein:1721136 Beilstein CAS:72-18-4 ChemIDplus CAS:72-18-4 KEGG COMPOUND CAS:72-18-4 NIST Chemistry WebBook Drug_Central:4128 DrugCentral Gmelin:2827 Gmelin PMID:14608070 Europe PMC PMID:17670823 Europe PMC PMID:21706252 Europe PMC PMID:22138982 Europe PMC PMID:22287678 Europe PMC PMID:22585822 Europe PMC Reaxys:1721136 Reaxys L-Valine KEGG_COMPOUND L-valine IUPAC (2S)-2-amino-3-methylbutanoic acid IUPAC (S)-valine ChemIDplus 2-Amino-3-methylbutyric acid KEGG_COMPOUND L-(+)-alpha-Aminoisovaleric acid HMDB L-Valin ChEBI L-alpha-Amino-beta-methylbutyric acid HMDB V ChEBI VALINE PDBeChem Val ChEBI An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes. 0 C12H7Cl3O2 InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H XEFQLINVKFYRCS-UHFFFAOYSA-N 289.54200 287.95116 Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl CHEBI:29697 CHEBI:47700 Beilstein:2057142 CAS:3380-34-5 DrugBank:DB08604 Drug_Central:3631 KEGG:C12059 KEGG:D06226 LINCS:LSM-2929 PDBeChem:TCL PMID:11175846 PMID:11418506 PMID:15269185 PMID:17567585 PMID:18837732 PMID:18937596 PMID:19388793 PMID:21094257 PMID:21166831 PMID:21833630 PMID:22105314 PMID:22561896 PMID:22746545 PMID:23146048 PMID:23161706 PMID:23192912 PMID:23282071 PMID:23313217 PMID:23320506 PMID:23368947 PMID:23435526 PMID:23561013 PMID:23592331 PMID:23614034 PMID:23648333 PMID:23791346 PMID:23831729 PMID:23890965 PMID:23927454 PMID:24079913 PMID:25179274 PMID:28236114 PMID:28339349 PMID:28632490 PMID:28741979 PMID:29030459 PMID:29067681 PMID:29100157 PMID:29109308 PMID:29111213 PMID:29111444 PMID:29131715 PMID:29150338 PMID:29154092 PMID:29172042 PMID:29175687 PMID:29197580 PMID:29205483 PMID:29214481 PMID:29232866 PMID:29277667 PMID:29332277 PMID:29340711 PMID:29348637 Patent:NL6401526 Patent:US3506720 Patent:US3629477 Reaxys:2057142 Wikipedia:Triclosan 5-chloro-2-(2,4-dichlorophenoxy)phenol Triclosan chebi_ontology 2,4,4'-Trichloro-2'-hydroxydiphenyl ether 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol triclosan triclosanum CHEBI:164200 triclosan Beilstein:2057142 Beilstein CAS:3380-34-5 ChemIDplus CAS:3380-34-5 KEGG COMPOUND Drug_Central:3631 DrugCentral PMID:11175846 Europe PMC PMID:11418506 Europe PMC PMID:15269185 Europe PMC PMID:17567585 Europe PMC PMID:18837732 Europe PMC PMID:18937596 Europe PMC PMID:19388793 Europe PMC PMID:21094257 Europe PMC PMID:21166831 Europe PMC PMID:21833630 Europe PMC PMID:22105314 Europe PMC PMID:22561896 Europe PMC PMID:22746545 Europe PMC PMID:23146048 Europe PMC PMID:23161706 Europe PMC PMID:23192912 Europe PMC PMID:23282071 Europe PMC PMID:23313217 Europe PMC PMID:23320506 Europe PMC PMID:23368947 Europe PMC PMID:23435526 Europe PMC PMID:23561013 Europe PMC PMID:23592331 Europe PMC PMID:23614034 Europe PMC PMID:23648333 Europe PMC PMID:23791346 Europe PMC PMID:23831729 Europe PMC PMID:23890965 Europe PMC PMID:23927454 Europe PMC PMID:24079913 Europe PMC PMID:25179274 Europe PMC PMID:28236114 Europe PMC PMID:28339349 Europe PMC PMID:28632490 Europe PMC PMID:28741979 Europe PMC PMID:29030459 Europe PMC PMID:29067681 Europe PMC PMID:29100157 Europe PMC PMID:29109308 Europe PMC PMID:29111213 Europe PMC PMID:29111444 Europe PMC PMID:29131715 Europe PMC PMID:29150338 Europe PMC PMID:29154092 Europe PMC PMID:29172042 Europe PMC PMID:29175687 Europe PMC PMID:29197580 Europe PMC PMID:29205483 Europe PMC PMID:29214481 Europe PMC PMID:29232866 Europe PMC PMID:29277667 Europe PMC PMID:29332277 Europe PMC PMID:29340711 Europe PMC PMID:29348637 Europe PMC Reaxys:2057142 Reaxys 5-chloro-2-(2,4-dichlorophenoxy)phenol IUPAC Triclosan KEGG_COMPOUND 2,4,4'-Trichloro-2'-hydroxydiphenyl ether ChemIDplus 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol ChEMBL triclosan ChemIDplus triclosan WHO_MedNet triclosanum ChemIDplus An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N 89.09322 89.04768 CC(N)C(O)=O CHEBI:13748 CHEBI:22277 CHEBI:2539 Beilstein:635807 CAS:302-72-7 Drug_Central:4306 Gmelin:2449 KEGG:C01401 PMID:17439666 PMID:22264337 Reaxys:635807 Wikipedia:Alanine 2-aminopropanoic acid Alanine alanine chebi_ontology 2-Aminopropanoic acid 2-Aminopropionic acid A ALA Alanin alanina CHEBI:16449 alanine Beilstein:635807 Beilstein CAS:302-72-7 ChemIDplus CAS:302-72-7 KEGG COMPOUND CAS:302-72-7 NIST Chemistry WebBook Drug_Central:4306 DrugCentral Gmelin:2449 Gmelin PMID:17439666 Europe PMC PMID:22264337 Europe PMC Reaxys:635807 Reaxys 2-aminopropanoic acid IUPAC Alanine KEGG_COMPOUND alanine IUPAC 2-Aminopropanoic acid KEGG_COMPOUND 2-Aminopropionic acid KEGG_COMPOUND A ChEBI ALA ChEBI Alanin ChEBI alanina ChEBI A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group. -1 C9H16NO5 InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1 GHOKWGTUZJEAQD-UHFFFAOYSA-M 218.22700 218.10340 CC(C)(CO)C(O)C(=O)NCCC([O-])=O CHEBI:14739 CHEBI:25846 PMID:21463532 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate pantothenate chebi_ontology N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate CHEBI:16454 pantothenate PMID:21463532 Europe PMC 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate IUPAC pantothenate UniProt N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate ChEBI An L-alpha-amino acid that is the L-isomer of arginine. 0 C6H14N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-N 174.20100 174.11168 N[C@@H](CCCNC(N)=N)C(O)=O CHEBI:13077 CHEBI:21235 CHEBI:42927 CHEBI:6185 Beilstein:1725413 CAS:74-79-3 DrugBank:DB00125 Drug_Central:1549 ECMDB:ECMDB00517 Gmelin:83283 HMDB:HMDB0000517 KEGG:C00062 KEGG:D02982 KNApSAcK:C00001340 MetaCyc:ARG PDBeChem:ARG PDBeChem:GND PMID:10848923 PMID:11139824 PMID:11300497 PMID:11898853 PMID:12812828 PMID:15016745 PMID:15465805 PMID:16056256 PMID:16416365 PMID:17168727 PMID:17439666 PMID:19030957 PMID:21600268 PMID:21814794 PMID:22179117 PMID:22243793 PMID:22251130 PMID:22361732 PMID:22425811 PMID:22428068 PMID:22439203 PMID:22553931 PMID:22619480 PMID:22626826 PMID:22652429 PMID:22667467 PMID:22709481 PMID:8070089 Reaxys:1725413 Wikipedia:L-arginine YMDB:YMDB00592 L-Arginine L-arginine chebi_ontology (2S)-2-amino-5-(carbamimidamido)pentanoic acid (2S)-2-amino-5-guanidinopentanoic acid (S)-2-Amino-5-guanidinovaleric acid (S)-2-amino-5-guanidinopentanoic acid Arg L-(+)-arginine L-Arg L-Arginin R arginine CHEBI:16467 L-arginine Beilstein:1725413 ChemIDplus CAS:74-79-3 ChemIDplus CAS:74-79-3 KEGG COMPOUND CAS:74-79-3 NIST Chemistry WebBook Drug_Central:1549 DrugCentral Gmelin:83283 Gmelin PMID:10848923 Europe PMC PMID:11139824 Europe PMC PMID:11300497 Europe PMC PMID:11898853 Europe PMC PMID:12812828 Europe PMC PMID:15016745 Europe PMC PMID:15465805 Europe PMC PMID:16056256 Europe PMC PMID:16416365 Europe PMC PMID:17168727 Europe PMC PMID:17439666 Europe PMC PMID:19030957 Europe PMC PMID:21600268 Europe PMC PMID:21814794 Europe PMC PMID:22179117 Europe PMC PMID:22243793 Europe PMC PMID:22251130 Europe PMC PMID:22361732 Europe PMC PMID:22425811 Europe PMC PMID:22428068 Europe PMC PMID:22439203 Europe PMC PMID:22553931 Europe PMC PMID:22619480 Europe PMC PMID:22626826 Europe PMC PMID:22652429 Europe PMC PMID:22667467 Europe PMC PMID:22709481 Europe PMC PMID:8070089 Europe PMC Reaxys:1725413 Reaxys L-Arginine KEGG_COMPOUND L-arginine IUPAC (2S)-2-amino-5-(carbamimidamido)pentanoic acid IUPAC (2S)-2-amino-5-guanidinopentanoic acid JCBN (S)-2-Amino-5-guanidinovaleric acid KEGG_COMPOUND (S)-2-amino-5-guanidinopentanoic acid ChEBI Arg DrugBank L-(+)-arginine NIST_Chemistry_WebBook L-Arg DrugBank L-Arginin ChEBI R MetaCyc arginine KEGG_DRUG The 17beta-isomer of estradiol. 0 C18H24O2 InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 VOXZDWNPVJITMN-ZBRFXRBCSA-N 272.38200 272.17763 [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHEBI:14219 CHEBI:23963 CHEBI:42475 CHEBI:4864 Beilstein:1914275 CAS:50-28-2 Chemspider:5554 DrugBank:DB00783 Drug_Central:1057 Gmelin:290805 HMDB:HMDB0000151 KEGG:C00951 KEGG:D00105 LINCS:LSM-2421 LIPID_MAPS_instance:LMST02010001 PDBeChem:EST PMID:10438974 PMID:10585175 PMID:10843196 PMID:11703424 PMID:14681337 PMID:16313478 PMID:17124377 PMID:1777462 PMID:23901460 PMID:24134630 PMID:24449492 PMID:3621671 PMID:8098802 PMID:8567793 Reaxys:1914275 Wikipedia:Estradiol 17beta-estradiol estra-1,3,5(10)-triene-3,17beta-diol chebi_ontology (17beta)-estra-1,3,5(10)-triene-3,17-diol 17beta oestradiol 17beta-estra-1,3,5(10)-triene-3,17-diol 17beta-oestradiol ESTRADIOL Estradiol Estradiol-17beta beta-Estradiol cis-estradiol CHEBI:16469 17beta-estradiol Beilstein:1914275 Beilstein CAS:50-28-2 ChemIDplus CAS:50-28-2 KEGG COMPOUND CAS:50-28-2 NIST Chemistry WebBook Drug_Central:1057 DrugCentral Gmelin:290805 Gmelin LIPID_MAPS_instance:LMST02010001 LIPID MAPS PMID:10438974 Europe PMC PMID:10585175 Europe PMC PMID:10843196 Europe PMC PMID:11703424 Europe PMC PMID:14681337 Europe PMC PMID:16313478 Europe PMC PMID:17124377 Europe PMC PMID:1777462 Europe PMC PMID:23901460 Europe PMC PMID:24134630 Europe PMC PMID:24449492 Europe PMC PMID:3621671 Europe PMC PMID:8098802 Europe PMC PMID:8567793 Europe PMC Reaxys:1914275 Reaxys 17beta-estradiol NIST_Chemistry_WebBook 17beta-estradiol UniProt estra-1,3,5(10)-triene-3,17beta-diol IUPAC (17beta)-estra-1,3,5(10)-triene-3,17-diol ChemIDplus 17beta oestradiol ChEBI 17beta-estra-1,3,5(10)-triene-3,17-diol NIST_Chemistry_WebBook 17beta-oestradiol NIST_Chemistry_WebBook ESTRADIOL PDBeChem Estradiol KEGG_COMPOUND Estradiol-17beta KEGG_COMPOUND beta-Estradiol KEGG_COMPOUND cis-estradiol NIST_Chemistry_WebBook A pentanone carrying an oxo substituent at position 2. 0 C5H10O InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 XNLICIUVMPYHGG-UHFFFAOYSA-N 86.13230 86.07316 CCCC(C)=O CHEBI:14748 CHEBI:25886 CHEBI:7978 AGR:IND500714276 CAS:107-87-9 HMDB:HMDB0034235 KEGG:C01949 LIPID_MAPS_instance:LMFA12000003 MetaCyc:PENTAN-2-ONE PDBeChem:PNH PMID:22364569 Reaxys:506058 Wikipedia:Pentan-2-one Pentan-2-one pentan-2-one chebi_ontology 2-Pentanone 2-pentanone Methyl propyl ketone CHEBI:16472 pentan-2-one AGR:IND500714276 Europe PMC CAS:107-87-9 ChemIDplus CAS:107-87-9 KEGG COMPOUND CAS:107-87-9 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA12000003 LIPID MAPS PMID:22364569 Europe PMC Reaxys:506058 Reaxys Pentan-2-one KEGG_COMPOUND pentan-2-one IUPAC pentan-2-one UniProt 2-Pentanone KEGG_COMPOUND 2-pentanone ChEBI Methyl propyl ketone KEGG_COMPOUND A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom. 0 NO InChI=1S/NO/c1-2 MWUXSHHQAYIFBG-UHFFFAOYSA-N 30.00614 29.99799 [N]=O CHEBI:14657 CHEBI:25546 CHEBI:44452 CHEBI:7583 CAS:10102-43-9 DrugBank:DB00435 Gmelin:451 KEGG:C00533 KEGG:D00074 MolBase:943 PDBeChem:NO Reaxys:3587257 Wikipedia:Nitric_oxide Nitric oxide nitric oxide oxidonitrogen(.) oxoazanyl chebi_ontology (.)NO (NO)(.) EDRF NO NO(.) Nitrogen monoxide Stickstoff(II)-oxid Stickstoffmonoxid [NO] endothelium-derived relaxing factor mononitrogen monoxide monoxido de nitrogeno monoxyde d'azote nitrogen monooxide nitrogen monoxide nitrosyl oxido de nitrogeno(II) oxido nitrico oxyde azotique oxyde nitrique CHEBI:16480 nitric oxide CAS:10102-43-9 ChemIDplus CAS:10102-43-9 KEGG COMPOUND CAS:10102-43-9 NIST Chemistry WebBook Gmelin:451 Gmelin Reaxys:3587257 Reaxys Nitric oxide KEGG_COMPOUND nitric oxide UniProt oxidonitrogen(.) IUPAC oxoazanyl IUPAC (.)NO ChEBI (NO)(.) IUPAC EDRF ChEBI NO KEGG_COMPOUND NO(.) IUPAC Nitrogen monoxide KEGG_COMPOUND Stickstoff(II)-oxid ChEBI Stickstoffmonoxid ChEBI [NO] MolBase endothelium-derived relaxing factor ChEBI mononitrogen monoxide ChemIDplus monoxido de nitrogeno ChEBI monoxyde d'azote ChEBI nitrogen monooxide IUPAC nitrogen monoxide IUPAC nitrosyl IUPAC oxido de nitrogeno(II) ChEBI oxido nitrico ChEBI oxyde azotique ChEBI oxyde nitrique ChEBI An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia. 0 C10H8 InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H UFWIBTONFRDIAS-UHFFFAOYSA-N 128.17052 128.06260 c1ccc2ccccc2c1 CHEBI:14638 CHEBI:25469 CHEBI:44619 CHEBI:7472 Beilstein:1421310 CAS:91-20-3 Gmelin:3347 HMDB:HMDB0029751 KEGG:C00829 KNApSAcK:C00001259 MetaCyc:NAPHTHALENE PDBeChem:NPY PMID:10814889 PMID:11202734 PMID:16220979 PMID:16699520 PMID:17850896 PMID:26875834 PMID:26895256 PMID:27439360 PPDB:1312 Reaxys:1421310 UM-BBD_compID:c0333 Wikipedia:Naphthalene NAPHTHALENE Naphthalene naphthalene chebi_ontology Naphthalen Naphthalin naftaleno naftalina naphtalene naphtaline CHEBI:16482 naphthalene Beilstein:1421310 Beilstein CAS:91-20-3 ChemIDplus CAS:91-20-3 KEGG COMPOUND CAS:91-20-3 NIST Chemistry WebBook Gmelin:3347 Gmelin PMID:10814889 Europe PMC PMID:11202734 Europe PMC PMID:16220979 Europe PMC PMID:16699520 Europe PMC PMID:17850896 Europe PMC PMID:26875834 Europe PMC PMID:26895256 Europe PMC PMID:27439360 Europe PMC Reaxys:1421310 Reaxys UM-BBD_compID:c0333 UM-BBD NAPHTHALENE PDBeChem Naphthalene KEGG_COMPOUND naphthalene IUPAC naphthalene UniProt Naphthalen ChEBI Naphthalin NIST_Chemistry_WebBook naftaleno ChEBI naftalina ChEBI naphtalene ChEBI naphtaline ChEBI A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. 0 C8H14O2S2 InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10) AGBQKNBQESQNJD-UHFFFAOYSA-N 206.32756 206.04352 OC(=O)CCCCC1CCSS1 CHEBI:146958 CHEBI:25058 CHEBI:6492 Beilstein:122410 Beilstein:81853 CAS:62-46-4 DrugBank:DB00166 Drug_Central:4732 ECMDB:ECMDB01451 Gmelin:720915 KEGG:C00725 KEGG:D00086 PMID:15328413 PMID:7519986 PMID:7548757 Reaxys:81853 Wikipedia:Lipoic_acid YMDB:YMDB00334 5-(1,2-dithiolan-3-yl)pentanoic acid Lipoic acid chebi_ontology 1,2-dithiolane-3-pentanoic acid 1,2-dithiolane-3-valeric acid 5-(1,2-dithiolan-3-yl)valeric acid 5-(dithiolan-3-yl)valeric acid 5-[3-(1,2-dithiolanyl)]pentanoic acid 6,8-thioctic acid 6,8-thiotic acid 6-thioctic acid 6-thiotic acid Acetate-replacing factor Biletan Thioctansaeure Thioctic acid Thioctsaeure Thioktsaeure alpha-Lipoic acid alpha-Liponsaeure alpha-lipoic acid liponic acid CHEBI:16494 lipoic acid Beilstein:122410 Beilstein Beilstein:81853 Beilstein CAS:62-46-4 ChemIDplus CAS:62-46-4 KEGG COMPOUND CAS:62-46-4 NIST Chemistry WebBook Drug_Central:4732 DrugCentral Gmelin:720915 Gmelin PMID:15328413 Europe PMC PMID:7519986 Europe PMC PMID:7548757 Europe PMC Reaxys:81853 Reaxys 5-(1,2-dithiolan-3-yl)pentanoic acid IUPAC Lipoic acid KEGG_COMPOUND 1,2-dithiolane-3-pentanoic acid ChEBI 1,2-dithiolane-3-valeric acid ChEBI 5-(1,2-dithiolan-3-yl)valeric acid ChEBI 5-(dithiolan-3-yl)valeric acid ChEBI 5-[3-(1,2-dithiolanyl)]pentanoic acid ChEBI 6,8-thioctic acid ChEBI 6,8-thiotic acid ChEBI 6-thioctic acid ChEBI 6-thiotic acid ChEBI Acetate-replacing factor ChemIDplus Biletan ChemIDplus Thioctansaeure ChEBI Thioctic acid KEGG_COMPOUND Thioctsaeure ChEBI Thioktsaeure ChEBI alpha-Lipoic acid KEGG_COMPOUND alpha-Liponsaeure ChemIDplus alpha-lipoic acid ChEBI alpha-lipoic acid NIST_Chemistry_WebBook liponic acid ChEBI 0 H2Se InChI=1S/H2Se/h1H2 SPVXKVOXSXTJOY-UHFFFAOYSA-N 80.97588 81.93217 [H][Se][H] CHEBI:24638 CHEBI:47675 CHEBI:9089 CAS:7783-07-5 KEGG:C01528 UM-BBD_compID:c0745 dihydridoselenium dihydrogen selenide hydrogen selenide selane chebi_ontology H2Se Hydrogen selenide [SeH2] hydroselenic acid CHEBI:16503 selane CAS:7783-07-5 ChemIDplus CAS:7783-07-5 NIST Chemistry WebBook UM-BBD_compID:c0745 UM-BBD dihydridoselenium IUPAC dihydrogen selenide IUPAC hydrogen selenide IUPAC selane IUPAC H2Se IUPAC Hydrogen selenide KEGG_COMPOUND [SeH2] IUPAC hydroselenic acid UM-BBD A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxypropionic acid. -1 C3H5O3 InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)/p-1 ALRHLSYJTWAHJZ-UHFFFAOYSA-M 89.07000 89.02442 OCCC([O-])=O CHEBI:11836 CHEBI:20079 Beilstein:3903725 Gmelin:324424 KEGG:C01013 Reaxys:3903725 3-Hydroxypropionate 3-hydroxypropanoate chebi_ontology 3-hydroxypropanoate beta-hydroxypropionate CHEBI:16510 3-hydroxypropionate Beilstein:3903725 Beilstein Gmelin:324424 Gmelin Reaxys:3903725 Reaxys 3-Hydroxypropionate KEGG_COMPOUND 3-hydroxypropanoate IUPAC 3-hydroxypropanoate UniProt beta-hydroxypropionate ChEBI A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food. carbon dioxide http://langual.org 0 CO2 InChI=1S/CO2/c2-1-3 CURLTUGMZLYLDI-UHFFFAOYSA-N 44.010 43.98983 O=C=O CHEBI:13282 CHEBI:13283 CHEBI:13284 CHEBI:13285 CHEBI:23011 CHEBI:3283 CHEBI:48829 Beilstein:1900390 CAS:124-38-9 Codex::290 Drug_Central:4256 Europe::290 Gmelin:989 HMDB:HMDB0001967 KEGG:C00011 KEGG:D00004 MetaCyc:CARBON-DIOXIDE MolBase:752 PDBeChem:CO2 PMID:10826146 PMID:11094503 PMID:11584085 PMID:11802652 PMID:14639145 PMID:15050588 PMID:16591971 PMID:16656478 PMID:16659660 PMID:17190796 PMID:17448243 PMID:17878298 PMID:17884085 PMID:19043767 PMID:19259576 PMID:19854893 PMID:23384758 PMID:23828359 PMID:24258718 PMID:8482095 PMID:8818713 PMID:8869828 PMID:9611769 PMID:9730350 PPDB:119 Reaxys:1900390 UM-BBD_compID:c0131 Wikipedia:Carbon_dioxide http://www.langual.org/langual_thesaurus.asp?termid=B3059 CARBON DIOXIDE Carbon dioxide carbon dioxide dioxidocarbon methanedione chebi_ontology CO2 E 290 E-290 E290 R-744 [CO2] carbonic anhydride CHEBI:16526 LanguaL term definition: Food additive; technological purpose(s): carbonating agent, packaging gas, preservative, propellant. carbon dioxide Beilstein:1900390 Beilstein CAS:124-38-9 ChemIDplus CAS:124-38-9 KEGG COMPOUND CAS:124-38-9 NIST Chemistry WebBook Drug_Central:4256 DrugCentral Gmelin:989 Gmelin PMID:10826146 Europe PMC PMID:11094503 Europe PMC PMID:11584085 Europe PMC PMID:11802652 Europe PMC PMID:14639145 Europe PMC PMID:15050588 Europe PMC PMID:16591971 Europe PMC PMID:16656478 Europe PMC PMID:16659660 Europe PMC PMID:17190796 Europe PMC PMID:17448243 Europe PMC PMID:17878298 Europe PMC PMID:17884085 Europe PMC PMID:19043767 Europe PMC PMID:19259576 Europe PMC PMID:19854893 Europe PMC PMID:23384758 Europe PMC PMID:23828359 Europe PMC PMID:24258718 Europe PMC PMID:8482095 Europe PMC PMID:8818713 Europe PMC PMID:8869828 Europe PMC PMID:9611769 Europe PMC PMID:9730350 Europe PMC Reaxys:1900390 Reaxys UM-BBD_compID:c0131 UM-BBD CARBON DIOXIDE PDBeChem Carbon dioxide KEGG_COMPOUND carbon dioxide IUPAC dioxidocarbon IUPAC methanedione IUPAC CO2 KEGG_COMPOUND CO2 UniProt E 290 ChEBI E-290 ChEBI E290 ChEBI R-744 ChEBI [CO2] MolBase carbonic anhydride UM-BBD A naturally occurring polypeptide synthesized at the ribosome. CHEBI:8526 KEGG:C00017 chebi_ontology Protein a protein polypeptide chain protein polypeptide chains CHEBI:16541 protein polypeptide chain Protein KEGG_COMPOUND a protein UniProt polypeptide chain ChEBI protein polypeptide chains ChEBI An organochlorine compound with insecticidal activity. 0 C10Cl10O InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20 LHHGDZSESBACKH-UHFFFAOYSA-N 490.63340 485.68344 ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl CHEBI:13968 CHEBI:23110 CHEBI:3609 AGR:IND44714295 Beilstein:1894593 CAS:143-50-0 HMDB:HMDB0059603 KEGG:C01792 LINCS:LSM-36918 PMID:19167793 PMID:20566993 PMID:21852857 PMID:22683396 PMID:23706897 PMID:23827360 PMID:24401561 PPDB:1293 Patent:US2616825 Patent:US2616928 Reaxys:1894593 Wikipedia:Kepone 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one Chlordecone chlordecone chebi_ontology 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one GC 1189 Kepone decachloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decan-4-one perchloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one CHEBI:16548 chlordecone AGR:IND44714295 Europe PMC Beilstein:1894593 Beilstein CAS:143-50-0 ChemIDplus CAS:143-50-0 KEGG COMPOUND CAS:143-50-0 NIST Chemistry WebBook PMID:19167793 Europe PMC PMID:20566993 Europe PMC PMID:21852857 Europe PMC PMID:22683396 Europe PMC PMID:23706897 Europe PMC PMID:23827360 Europe PMC PMID:24401561 Europe PMC Reaxys:1894593 Reaxys 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one IUPAC Chlordecone KEGG_COMPOUND chlordecone UniProt 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one IUPAC GC 1189 ChemIDplus Kepone KEGG_COMPOUND decachloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decan-4-one ChemIDplus perchloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one ChemIDplus A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 HDTRYLNUVZCQOY-LIZSDCNHSA-N 342.29648 342.11621 OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:10202 CHEBI:12281 CHEBI:12284 CHEBI:12287 CHEBI:15251 CHEBI:22365 CHEBI:46211 Beilstein:1292766 CAS:99-20-7 Gmelin:2145829 HMDB:HMDB0000975 KEGG:C01083 KEGG:G00293 KNApSAcK:C00001152 LINCS:LSM-37121 MetaCyc:TREHALOSE PDBeChem:TRE PMID:17439666 PMID:20477758 Reaxys:1292766 Wikipedia:Trehalose alpha,alpha-Trehalose alpha,alpha-trehalose alpha-D-glucopyranosyl alpha-D-glucopyranoside chebi_ontology (Glc)2 D-(+)-trehalose TREHALOSE Trehalose alpha,alpha'-Trehalose alpha-D-Glcp-(1<->1)-alpha-D-Glcp alpha-D-Trehalose alpha-D-glucopyranosyl-alpha-D-glucopyranoside alpha-trehalose ergot sugar mycose CHEBI:16551 alpha,alpha-trehalose Beilstein:1292766 Beilstein CAS:99-20-7 ChemIDplus CAS:99-20-7 KEGG COMPOUND CAS:99-20-7 NIST Chemistry WebBook Gmelin:2145829 Gmelin PMID:17439666 Europe PMC PMID:20477758 Europe PMC Reaxys:1292766 Reaxys alpha,alpha-Trehalose KEGG_COMPOUND alpha,alpha-trehalose UniProt alpha-D-glucopyranosyl alpha-D-glucopyranoside IUPAC (Glc)2 KEGG_GLYCAN D-(+)-trehalose NIST_Chemistry_WebBook TREHALOSE PDBeChem Trehalose KEGG_COMPOUND alpha,alpha'-Trehalose KEGG_COMPOUND alpha-D-Glcp-(1<->1)-alpha-D-Glcp JCBN alpha-D-Trehalose NIST_Chemistry_WebBook alpha-D-glucopyranosyl-alpha-D-glucopyranoside NIST_Chemistry_WebBook alpha-trehalose NIST_Chemistry_WebBook ergot sugar NIST_Chemistry_WebBook mycose NIST_Chemistry_WebBook A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. 0 C2H4OS InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N 76.11856 75.99829 CC(S)=O CHEBI:9547 Beilstein:773684 CAS:507-09-5 Gmelin:49262 KEGG:C01857 PMID:23298036 Reaxys:773684 ethanethioic S-acid chebi_ontology CH3COSH Thioacetic acid acetyl mercaptan thioacetic S-acid CHEBI:16555 ethanethioic S-acid Beilstein:773684 Beilstein CAS:507-09-5 ChemIDplus CAS:507-09-5 KEGG COMPOUND CAS:507-09-5 NIST Chemistry WebBook Gmelin:49262 Gmelin PMID:23298036 Europe PMC Reaxys:773684 Reaxys ethanethioic S-acid IUPAC CH3COSH NIST_Chemistry_WebBook Thioacetic acid KEGG_COMPOUND acetyl mercaptan NIST_Chemistry_WebBook thioacetic S-acid NIST_Chemistry_WebBook A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds. 0 COS InChI=1S/COS/c2-1-3 JJWKPURADFRFRB-UHFFFAOYSA-N 60.07610 59.96699 O=C=S CHEBI:13943 CHEBI:23021 CHEBI:3402 CAS:463-58-1 KEGG:C07331 Reaxys:1697284 UM-BBD_compID:c0562 Wikipedia:Carbonyl_sulfide Carbonyl sulfide carbonyl sulfide oxidosulfidocarbon chebi_ontology C(O)S O=C=S carbon oxide sulfide carbonyl sulphide CHEBI:16573 carbonyl sulfide CAS:463-58-1 ChemIDplus CAS:463-58-1 KEGG COMPOUND CAS:463-58-1 NIST Chemistry WebBook Reaxys:1697284 Reaxys UM-BBD_compID:c0562 UM-BBD Carbonyl sulfide KEGG_COMPOUND carbonyl sulfide IUPAC carbonyl sulfide UniProt oxidosulfidocarbon IUPAC C(O)S IUPAC O=C=S ChEBI carbon oxide sulfide ChEBI carbonyl sulphide ChEBI A monomethoxybenzene that is benzene substituted by a methoxy group. 0 C7H8O InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 RDOXTESZEPMUJZ-UHFFFAOYSA-N 108.13782 108.05751 COc1ccccc1 CHEBI:13835 CHEBI:22564 CHEBI:2736 Beilstein:506892 CAS:100-66-3 Gmelin:2964 HMDB:HMDB0033895 KEGG:C01403 MetaCyc:CPD-395 PMID:11944828 PMID:24814399 Reaxys:506892 Wikipedia:Anisole Anisole anisole chebi_ontology Anisol Methoxybenzene Methyl phenyl ether Phenol methyl ether CHEBI:16579 anisole Beilstein:506892 Beilstein CAS:100-66-3 ChemIDplus CAS:100-66-3 KEGG COMPOUND CAS:100-66-3 NIST Chemistry WebBook Gmelin:2964 Gmelin PMID:11944828 Europe PMC PMID:24814399 Europe PMC Reaxys:506892 Reaxys Anisole KEGG_COMPOUND anisole IUPAC anisole UniProt Anisol NIST_Chemistry_WebBook Methoxybenzene KEGG_COMPOUND Methyl phenyl ether KEGG_COMPOUND Phenol methyl ether KEGG_COMPOUND A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2. 0 C14H8Cl4 InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H UCNVFOCBFJOQAL-UHFFFAOYSA-N 318.02412 315.93801 Clc1ccc(cc1)C(=C(Cl)Cl)c1ccc(Cl)cc1 CHEBI:11130 CHEBI:18851 CHEBI:474 CAS:72-55-9 KEGG:C04596 PMID:11513126 PMID:15710169 PMID:24328540 Reaxys:1913355 UM-BBD_compID:c0406 Wikipedia:Dichlorodiphenyldichloroethylene 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene DDE chebi_ontology 1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene 1,1-dichloro-2,2-bis(4'-chlorophenyl)ethylene 1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene 4,4'-DDE p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene p,p'-DDE CHEBI:16598 DDE CAS:72-55-9 ChemIDplus CAS:72-55-9 KEGG COMPOUND PMID:11513126 Europe PMC PMID:15710169 Europe PMC PMID:24328540 Europe PMC Reaxys:1913355 Reaxys UM-BBD_compID:c0406 UM-BBD 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene IUPAC DDE KEGG_COMPOUND 1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene KEGG_COMPOUND 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene KEGG_COMPOUND 1,1-dichloro-2,2-bis(4'-chlorophenyl)ethylene ChEBI 1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene UniProt 4,4'-DDE ChemIDplus p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene ChemIDplus p,p'-DDE ChemIDplus A member of the class of chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2. 0 C2HCl3 InChI=1S/C2HCl3/c3-1-2(4)5/h1H XSTXAVWGXDQKEL-UHFFFAOYSA-N 131.380 129.91438 ClC=C(Cl)Cl CHEBI:15257 CHEBI:27099 CHEBI:9686 Beilstein:1736782 CAS:79-01-6 Drug_Central:3628 Gmelin:184631 HMDB:HMDB0029593 KEGG:C06790 LINCS:LSM-37096 PDBeChem:TCV PMID:10459493 PMID:11280697 PMID:14780843 PMID:15019957 PMID:16641322 PMID:24517489 PMID:25278505 PMID:33930529 PMID:8319644 Reaxys:1736782 UM-BBD_compID:c0009 Wikipedia:Trichloroethylene 1,1,2-trichloroethene Trichloroethene trichloroethene chebi_ontology 1,1-dichloro-2-chloroethylene Narcogen TCE Trichloraethen Trichloraethylen Trichloroethylene acetylene trichloride ethinyl trichloride ethylene trichloride trichlor trichloraethylenum pro narcosi trichlorethylene trichloroethylene trichloroethylenum triciene CHEBI:16602 trichloroethene Beilstein:1736782 ChemIDplus CAS:79-01-6 ChemIDplus CAS:79-01-6 KEGG COMPOUND CAS:79-01-6 NIST Chemistry WebBook Drug_Central:3628 DrugCentral Gmelin:184631 Gmelin PMID:10459493 Europe PMC PMID:11280697 Europe PMC PMID:14780843 Europe PMC PMID:15019957 Europe PMC PMID:16641322 Europe PMC PMID:24517489 Europe PMC PMID:25278505 Europe PMC PMID:33930529 Europe PMC PMID:8319644 Europe PMC Reaxys:1736782 Reaxys UM-BBD_compID:c0009 UM-BBD 1,1,2-trichloroethene IUPAC Trichloroethene KEGG_COMPOUND trichloroethene UniProt 1,1-dichloro-2-chloroethylene ChemIDplus Narcogen NIST_Chemistry_WebBook TCE KEGG_COMPOUND Trichloraethen ChEBI Trichloraethylen ChEBI Trichloroethylene KEGG_COMPOUND acetylene trichloride UM-BBD ethinyl trichloride UM-BBD ethylene trichloride UM-BBD trichlor ChEBI trichloraethylenum pro narcosi ChEBI trichlorethylene ChEBI trichloroethylene ChEBI trichloroethylenum ChemIDplus triciene UM-BBD A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. 0 C3H6O InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 XXROGKLTLUQVRX-UHFFFAOYSA-N 58.07914 58.04186 OCC=C CHEBI:13763 CHEBI:19765 CHEBI:2604 CAS:107-18-6 HMDB:HMDB0031652 KEGG:C02001 MetaCyc:ALLYL-ALCOHOL PMID:18383315 PMID:24594943 PPDB:2698 Reaxys:605307 Wikipedia:Allyl_alcohol Allyl alcohol allyl alcohol prop-2-en-1-ol chebi_ontology 2-Propen-1-ol 2-Propenol 2-Propenyl alcohol 3-Hydroxypropene Vinyl carbinol Vinylcarbinol CHEBI:16605 allyl alcohol CAS:107-18-6 ChemIDplus CAS:107-18-6 KEGG COMPOUND PMID:18383315 Europe PMC PMID:24594943 Europe PMC Reaxys:605307 Reaxys Allyl alcohol KEGG_COMPOUND allyl alcohol UniProt prop-2-en-1-ol IUPAC 2-Propen-1-ol KEGG_COMPOUND 2-Propenol ChemIDplus 2-Propenyl alcohol ChemIDplus 3-Hydroxypropene ChemIDplus Vinyl carbinol ChemIDplus Vinylcarbinol ChemIDplus A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. 0 C18H32O16 InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 504.43710 504.16903 OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHEBI:15015 CHEBI:26521 CHEBI:49843 CHEBI:8771 CAS:512-69-6 HMDB:HMDB0003213 KEGG:C00492 KEGG:G00249 KNApSAcK:C00001145 MetaCyc:CPD-1099 PDBeChem:RAF PMID:23317449 PMID:23879777 PMID:23882273 PMID:24001862 PMID:24354450 PMID:24360500 Reaxys:99543 Wikipedia:Raffinose Raffinose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside raffinose chebi_ontology 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside rafinose raflinose CHEBI:16634 raffinose raffinose CAS:512-69-6 ChemIDplus CAS:512-69-6 KEGG COMPOUND PMID:23317449 Europe PMC PMID:23879777 Europe PMC PMID:23882273 Europe PMC PMID:24001862 Europe PMC PMID:24354450 Europe PMC PMID:24360500 Europe PMC Reaxys:99543 Reaxys Raffinose KEGG_COMPOUND beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside IUPAC raffinose UniProt 6G-alpha-D-galactosylsucrose KEGG_COMPOUND Gossypose KEGG_COMPOUND Melitose KEGG_COMPOUND Melitriose KEGG_COMPOUND alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf JCBN alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside JCBN rafinose ChEBI raflinose ChEBI Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. CHEBI:15131 CHEBI:23008 CHEBI:9318 Wikipedia:Carbohydrate carbohydrate carbohydrates chebi_ontology Kohlenhydrat Kohlenhydrate a carbohydrate carbohidrato carbohidratos glucide glucides glucido glucidos hydrates de carbone saccharide saccharides saccharidum CHEBI:16646 carbohydrate carbohydrate carbohydrate IUPAC carbohydrates IUPAC Kohlenhydrat ChEBI Kohlenhydrate ChEBI a carbohydrate UniProt carbohidrato IUPAC carbohidratos IUPAC glucide ChEBI glucides ChEBI glucido ChEBI glucidos ChEBI hydrates de carbone ChEBI saccharide IUPAC saccharides IUPAC saccharidum ChEBI CHEBI:14137 CHEBI:23664 CHEBI:4486 chebi_ontology dialkyl phosphates CHEBI:16648 dialkyl phosphate dialkyl phosphates ChEBI An optically active form of lactate having (S)-configuration. -1 C3H5O3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1 JVTAAEKCZFNVCJ-REOHCLBHSA-M 89.07000 89.02442 C[C@H](O)C([O-])=O CHEBI:11065 CHEBI:12411 CHEBI:18783 Beilstein:4655977 Gmelin:324523 KEGG:C00186 MetaCyc:L-LACTATE Reaxys:4655977 UM-BBD_compID:c0152 (2S)-2-hydroxypropanoate (S)-lactate chebi_ontology (+)-lactate L(+)-lactate L-(+)-lactate L-lactate CHEBI:16651 (S)-lactate Beilstein:4655977 Beilstein Gmelin:324523 Gmelin Reaxys:4655977 Reaxys UM-BBD_compID:c0152 UM-BBD (2S)-2-hydroxypropanoate IUPAC (S)-lactate UniProt (+)-lactate ChEBI L(+)-lactate ChEBI L-(+)-lactate ChEBI L-lactate UM-BBD Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc. 0 (C2H2NOR)nC2H3NOR CHEBI:14753 CHEBI:25906 CHEBI:7990 KEGG:C00012 Peptide peptides chebi_ontology Peptid peptido peptidos CHEBI:16670 peptide Peptide KEGG_COMPOUND peptides IUPAC Peptid ChEBI peptido ChEBI peptidos ChEBI A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points. PMID:24934357 PMID:29710396 copper chelator chebi_ontology copper chelate copper chelating agent copper chelating agents copper chelators CHEBI:166831 copper chelator PMID:24934357 Europe PMC PMID:29710396 Europe PMC copper chelator ChEBI copper chelate ChEBI copper chelating agent ChEBI copper chelating agents ChEBI copper chelators ChEBI A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. 0 C27H44O6 InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1 UPEZCKBFRMILAV-JMZLNJERSA-N 464.63466 464.31379 [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O CHEBI:14205 CHEBI:23889 CHEBI:4741 CAS:3604-87-3 KEGG:C00477 KNApSAcK:C00003651 LIPID_MAPS_instance:LMST01010210 PMID:19342482 PMID:22310011 PMID:22828514 PMID:23017214 PMID:23072462 Reaxys:2422986 Wikipedia:Ecdysone (2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one Ecdysone ecdysone chebi_ontology (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one CHEBI:16688 ecdysone CAS:3604-87-3 KEGG COMPOUND LIPID_MAPS_instance:LMST01010210 LIPID MAPS PMID:19342482 Europe PMC PMID:22310011 Europe PMC PMID:22828514 Europe PMC PMID:23017214 Europe PMC PMID:23072462 Europe PMC Reaxys:2422986 Reaxys (2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one IUPAC Ecdysone KEGG_COMPOUND ecdysone UniProt (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one IUPAC (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one ChEBI An elastomeric copolymer of ethylene and vinyl acetate used to produce "rubber-like" materials. 0 (C2H4)x.(C4H6O2)y AGR:IND605253205 CAS:24937-78-8 PMID:16053563 PMID:19031647 PMID:25242410 PMID:26635146 PMID:26875544 PMID:28294184 PMID:28789964 PMID:29660460 PMID:30223559 PMID:30440763 PMID:30769043 PMID:31032003 PMID:31974730 PMID:32507163 PMID:32759806 PMID:33092105 PMID:6527279 Wikipedia:Ethylene-vinyl_acetate poly(ethylene-co-vinyl acetate) chebi_ontology Baymod EVA Elvax Levamelt Levapren Nipoflex PEVA ethylene polymer with vinyl acetate ethylene vinyl acetate ethylene vinyl acetate copolymer ethylene-vinyl acetate ethylene-vinyl acetate copolymer ethylene/VA copolymer ethylene/vinyl acetate copolymer ethylenevinylacetate copolymer poly(ethylene-vinyl acetate) vinyl acetate-ethylene copolymer CHEBI:166881 poly(ethylene-co-vinyl acetate) AGR:IND605253205 Europe PMC CAS:24937-78-8 ChemIDplus PMID:16053563 Europe PMC PMID:19031647 Europe PMC PMID:25242410 Europe PMC PMID:26635146 Europe PMC PMID:26875544 Europe PMC PMID:28294184 Europe PMC PMID:28789964 Europe PMC PMID:29660460 Europe PMC PMID:30223559 Europe PMC PMID:30440763 Europe PMC PMID:30769043 Europe PMC PMID:31032003 Europe PMC PMID:31974730 Europe PMC PMID:32507163 Europe PMC PMID:32759806 Europe PMC PMID:33092105 Europe PMC PMID:6527279 Europe PMC poly(ethylene-co-vinyl acetate) ChEBI Baymod ChEBI EVA ChEBI Elvax ChEBI Levamelt ChEBI Levapren ChEBI Nipoflex ChEBI PEVA ChEBI ethylene polymer with vinyl acetate ChemIDplus ethylene vinyl acetate ChEBI ethylene vinyl acetate copolymer ChemIDplus ethylene-vinyl acetate ChEBI ethylene-vinyl acetate copolymer ChemIDplus ethylene/VA copolymer ChemIDplus ethylene/vinyl acetate copolymer ChEBI ethylenevinylacetate copolymer ChemIDplus poly(ethylene-vinyl acetate) ChEBI vinyl acetate-ethylene copolymer ChemIDplus Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function. CAS:29656-58-4 Wikipedia:https://en.wikipedia.org/wiki/Phenolic_acid chebi_ontology phenolcarboxylic acids CHEBI:166890 phenolic acid phenolic acid +1 C8H12NO3 InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1 SFLSHLFXELFNJZ-UHFFFAOYSA-O 170.187 170.08117 C1=CC(=CC(=C1O)O)C(C[NH3+])O chebi_ontology noradrenaline CHEBI:166902 noradrenaline(1+) noradrenaline UniProt soybean oil A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. 0 CH2N2 InChI=1S/CH2N2/c2-1-3/h2H2 XZMCDFZZKTWFGF-UHFFFAOYSA-N 42.04000 42.02180 NC#N CHEBI:14036 CHEBI:23418 CHEBI:3967 CHEBI:41585 CAS:420-04-2 DrugBank:DB02679 Gmelin:784 KEGG:C01566 KEGG:D00123 PDBeChem:CNN PMID:15991038 PMID:17989515 PMID:24429000 PMID:24709147 PPDB:184 Reaxys:1732569 UM-BBD_compID:c0597 Wikipedia:Cyanamide CYANAMIDE Cyanamide cyanamide chebi_ontology Carbodiimide H2N-C#N NH2CN amidocyanogen carbamonitrile cyanoamine CHEBI:16698 cyanamide CAS:420-04-2 ChemIDplus CAS:420-04-2 KEGG COMPOUND Gmelin:784 Gmelin PMID:15991038 Europe PMC PMID:17989515 Europe PMC PMID:24429000 Europe PMC PMID:24709147 Europe PMC Reaxys:1732569 Reaxys UM-BBD_compID:c0597 UM-BBD CYANAMIDE PDBeChem Cyanamide KEGG_COMPOUND cyanamide IUPAC cyanamide UniProt Carbodiimide KEGG_COMPOUND H2N-C#N ChEBI NH2CN ChEBI amidocyanogen ChEBI carbamonitrile ChEBI cyanoamine ChEBI A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated. 0 C5H9O6PR2 196.09510 196.01367 O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O CHEBI:14674 CHEBI:25603 CHEBI:7650 KEGG:C01117 Nucleoside 5'-phosphate chebi_ontology nucleoside 5'-phosphates CHEBI:16701 nucleoside 5'-phosphate Nucleoside 5'-phosphate KEGG_COMPOUND nucleoside 5'-phosphates ChEBI Any octanoid that is derived from jasmonate. chebi_ontology CHEBI:167055 Jasmonate derivatives The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. 0 C5H5N5 InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N 135.12690 135.05450 Nc1ncnc2[nH]cnc12 CHEBI:13733 CHEBI:22236 CHEBI:2470 CHEBI:40579 Beilstein:608603 CAS:73-24-5 DrugBank:DB00173 Drug_Central:89 Gmelin:3903 HMDB:HMDB0000034 KEGG:C00147 KEGG:D00034 KNApSAcK:C00001490 MetaCyc:ADENINE PDBeChem:ADE PMID:11985597 PMID:12829005 PMID:12951489 PMID:15063338 PMID:15715490 PMID:17439666 PMID:8070089 Reaxys:608603 Wikipedia:Adenine 9H-purin-6-amine ADENINE Adenine adenine chebi_ontology 6-Aminopurine A Ade Adenin CHEBI:16708 adenine Beilstein:608603 Beilstein CAS:73-24-5 ChemIDplus CAS:73-24-5 KEGG COMPOUND CAS:73-24-5 NIST Chemistry WebBook Drug_Central:89 DrugCentral Gmelin:3903 Gmelin PMID:11985597 Europe PMC PMID:12829005 Europe PMC PMID:12951489 Europe PMC PMID:15063338 Europe PMC PMID:15715490 Europe PMC PMID:17439666 Europe PMC PMID:8070089 Europe PMC Reaxys:608603 Reaxys 9H-purin-6-amine IUPAC ADENINE PDBeChem Adenine KEGG_COMPOUND adenine UniProt 6-Aminopurine KEGG_COMPOUND A ChEBI Ade CBN Adenin NIST_Chemistry_WebBook A fatty alcohol consisting of a chain of 3 to greater than 27 carbon atoms in which a hydroxy group is attached to a saturated carbon atom different from the terminal carbons. Secondary fatty alcohols may be saturated or unsaturated and may be branched or unbranched. 0 CH2OR2 30.026 30.01056 *C(O)* chebi_ontology a secondary fatty alcohol CHEBI:167095 secondary fatty alcohol a secondary fatty alcohol UniProt An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. 0 C7H5NOS InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) DMSMPAJRVJJAGA-UHFFFAOYSA-N 151.18600 151.00918 O=c1[nH]sc2ccccc12 Beilstein:119510 CAS:2634-33-5 HMDB:HMDB0034413 PMID:10201825 PMID:10604041 PMID:17988285 PMID:21903403 PMID:23429043 PMID:6446435 PMID:8833462 PMID:9046655 PMID:9231500 PPDB:1361 Reaxys:119510 Wikipedia:Benzisothiazolinone 1,2-benzisothiazol-3(2H)-one chebi_ontology 1,2-Benzisothiazol-3(2H)-one 1,2-Benzisothiazolin-3-one 1,2-Benzisothiazoline-3-one 2,3-dihydro-3-oxo-1,2-benzisothiazole BIT IPX benzisothiazolone CHEBI:167099 benzo[d]isothiazol-3-one Beilstein:119510 Beilstein CAS:2634-33-5 ChemIDplus PMID:10201825 Europe PMC PMID:10604041 Europe PMC PMID:17988285 Europe PMC PMID:21903403 Europe PMC PMID:23429043 Europe PMC PMID:6446435 Europe PMC PMID:8833462 Europe PMC PMID:9046655 Europe PMC PMID:9231500 Europe PMC Reaxys:119510 Reaxys 1,2-benzisothiazol-3(2H)-one IUPAC 1,2-Benzisothiazol-3(2H)-one ChemIDplus 1,2-Benzisothiazolin-3-one ChEBI 1,2-Benzisothiazoline-3-one ChemIDplus 2,3-dihydro-3-oxo-1,2-benzisothiazole ChEBI BIT ChEBI IPX ChemIDplus benzisothiazolone ChEBI A morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties. 0 C18H21NO3 InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N 299.36420 299.15214 [H][C@]12C=C[C@H](O)[C@@H]3Oc4c(OC)ccc5C[C@H]1N(C)CC[C@@]23c45 CHEBI:14006 CHEBI:23348 CHEBI:3803 Beilstein:5303198 Beilstein:5768734 Beilstein:94996 CAS:76-57-3 DrugBank:DB00318 Drug_Central:725 Gmelin:232454 KEGG:C06174 KNApSAcK:C00001837 PMID:2215478 PMID:23507688 PMID:24069665 PMID:24176887 PMID:24324229 PMID:24396053 PMID:24458010 PMID:24491926 PMID:24517264 PMID:9776433 Reaxys:94996 Wikipedia:Codeine 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol Codeine chebi_ontology (-)-Codeine (1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol Codein Codicept Coducept O(3)-methylmorphine codeina codeine codeine anhydrous l-codeine methylmorphine morphine 3-methyl ether morphine monomethyl ether morphine-3-methyl ether CHEBI:16714 codeine Beilstein:5303198 Beilstein Beilstein:5768734 Beilstein Beilstein:94996 Beilstein CAS:76-57-3 ChemIDplus CAS:76-57-3 KEGG COMPOUND CAS:76-57-3 NIST Chemistry WebBook Drug_Central:725 DrugCentral Gmelin:232454 Gmelin PMID:2215478 Europe PMC PMID:23507688 Europe PMC PMID:24069665 Europe PMC PMID:24176887 Europe PMC PMID:24324229 Europe PMC PMID:24396053 Europe PMC PMID:24458010 Europe PMC PMID:24491926 Europe PMC PMID:24517264 Europe PMC PMID:9776433 Europe PMC Reaxys:94996 Reaxys 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol IUPAC Codeine KEGG_COMPOUND (-)-Codeine HMDB (1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol HMDB (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol KEGG_COMPOUND 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol NIST_Chemistry_WebBook Codein ChEBI Codicept DrugBank Coducept DrugBank O(3)-methylmorphine ChemIDplus codeina ChEBI codeine ChEBI codeine anhydrous DrugBank l-codeine ChemIDplus methylmorphine ChemIDplus morphine 3-methyl ether ChemIDplus morphine monomethyl ether ChemIDplus morphine-3-methyl ether ChemIDplus A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. 0 C6H6 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H UHOVQNZJYSORNB-UHFFFAOYSA-N 78.11184 78.04695 c1ccccc1 CHEBI:13876 CHEBI:22703 CHEBI:3025 CHEBI:41187 Beilstein:969212 CAS:71-43-2 Gmelin:1671 HMDB:HMDB0001505 KEGG:C01407 PDBeChem:BNZ PMID:11684179 PMID:11993966 PMID:12857942 PMID:14677922 PMID:15468289 PMID:15935818 PMID:16161967 PMID:17373369 PMID:18072742 PMID:18407866 PMID:18409691 PMID:18836923 PMID:19228219 PMID:21325737 PMID:23088855 PMID:23222815 PMID:23534829 PMID:6353911 PMID:8124204 Reaxys:969212 UM-BBD_compID:c0142 Wikipedia:Benzene BENZENE Benzene benzene chebi_ontology Benzen Benzine Benzol Bicarburet of hydrogen Coal naphtha Mineral naphtha Phene Pyrobenzol Pyrobenzole [6]annulene benzole cyclohexatriene phenyl hydride CHEBI:16716 benzene Beilstein:969212 Beilstein CAS:71-43-2 ChemIDplus CAS:71-43-2 KEGG COMPOUND CAS:71-43-2 NIST Chemistry WebBook Gmelin:1671 Gmelin PMID:11684179 Europe PMC PMID:11993966 Europe PMC PMID:12857942 Europe PMC PMID:14677922 Europe PMC PMID:15468289 Europe PMC PMID:15935818 Europe PMC PMID:16161967 Europe PMC PMID:17373369 Europe PMC PMID:18072742 Europe PMC PMID:18407866 Europe PMC PMID:18409691 Europe PMC PMID:18836923 Europe PMC PMID:19228219 Europe PMC PMID:21325737 Europe PMC PMID:23088855 Europe PMC PMID:23222815 Europe PMC PMID:23534829 Europe PMC PMID:6353911 Europe PMC PMID:8124204 Europe PMC Reaxys:969212 Reaxys UM-BBD_compID:c0142 UM-BBD BENZENE PDBeChem Benzene KEGG_COMPOUND benzene ChEBI benzene IUPAC benzene UniProt Benzen IUPAC Benzine UM-BBD Benzol ChemIDplus Bicarburet of hydrogen ChemIDplus Coal naphtha ChemIDplus Mineral naphtha ChemIDplus Phene ChemIDplus Pyrobenzol ChemIDplus Pyrobenzole ChemIDplus [6]annulene NIST_Chemistry_WebBook benzole NIST_Chemistry_WebBook cyclohexatriene UM-BBD phenyl hydride UM-BBD A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body. Wikipedia:Mineral_(nutrient) essential mineral, element mineral nutrient chebi_ontology mineral nutrients nutrient mineral nutrient minerals CHEBI:167164 mineral nutrient mineral nutrient ChEBI mineral nutrients ChEBI nutrient mineral ChEBI nutrient minerals ChEBI A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water. Wikipedia:Piscicide chebi_ontology piscicides CHEBI:167183 piscicide piscicides ChEBI A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity. The drug is currently under clinical development for the treatment of major depressive disorder. 0 C21H27NO InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1 USSIQXCVUWKGNF-KRWDZBQOSA-N 309.453 309.20926 CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 CAS:5653-80-5 Chemspider:559067 DrugBank:DB15198 PMID:21175445 PMID:23249875 PMID:23935979 PMID:27055456 PMID:27456067 PMID:27974484 PMID:29458047 PMID:30907440 PMID:31091116 PMID:31368772 PMID:31454827 PMID:32302325 PMID:33345336 Reaxys:3213667 Wikipedia:Dextromethadone (6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one chebi_ontology (+)-(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone (+)-methadone (6S)-methadone (S)-(+)-methadone (S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone (S)-methadone REL-1017 S-(+)-methadone S-methadone d-6-(dimethylamino)-4,4-diphenyl-3-heptanone d-methadone CHEBI:167308 dextromethadone CAS:5653-80-5 ChemIDplus PMID:21175445 Europe PMC PMID:23249875 Europe PMC PMID:23935979 Europe PMC PMID:27055456 Europe PMC PMID:27456067 Europe PMC PMID:27974484 Europe PMC PMID:29458047 Europe PMC PMID:30907440 Europe PMC PMID:31091116 Europe PMC PMID:31368772 Europe PMC PMID:31454827 Europe PMC PMID:32302325 Europe PMC PMID:33345336 Europe PMC Reaxys:3213667 Reaxys (6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one IUPAC (+)-(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone ChEBI (+)-methadone ChemIDplus (6S)-methadone ChemIDplus (S)-(+)-methadone ChEBI (S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone ChemIDplus (S)-methadone ChemIDplus REL-1017 ChEBI S-(+)-methadone ChemIDplus S-methadone ChemIDplus d-6-(dimethylamino)-4,4-diphenyl-3-heptanone ChemIDplus d-methadone ChemIDplus A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. 0 C21H27NO InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N 309.453 309.20926 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 6-(dimethylamino)-4,4-diphenylheptan-3-one chebi_ontology 6-(dimethylamino)-4,4-diphenyl-3-heptanone CHEBI:167309 6-(dimethylamino)-4,4-diphenylheptan-3-one 6-(dimethylamino)-4,4-diphenylheptan-3-one IUPAC 6-(dimethylamino)-4,4-diphenyl-3-heptanone ChEBI 0 C2H4NO2R 74.05870 74.02420 N[C@H]([*])C(O)=O CHEBI:12909 CHEBI:13625 CHEBI:20906 CHEBI:4097 KEGG:C00405 D-alpha-amino acid D-alpha-amino acids chebi_ontology D-Amino acid D-alpha-amino acids CHEBI:16733 D-alpha-amino acid D-alpha-amino acid ChEBI D-alpha-amino acids IUPAC D-Amino acid KEGG_COMPOUND D-alpha-amino acids ChEBI A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. 0 C6H4Cl2O InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H HFZWRUODUSTPEG-UHFFFAOYSA-N 163.00076 161.96392 Oc1ccc(Cl)cc1Cl CHEBI:11440 CHEBI:19350 CHEBI:909 Beilstein:742467 CAS:120-83-2 Gmelin:261170 HMDB:HMDB0004811 KEGG:C02625 MetaCyc:24-DICHLOROPHENOL PMID:10633543 Reaxys:742467 UM-BBD_compID:c0289 Wikipedia:2,4-Dichlorophenol 2,4-Dichlorophenol 2,4-dichlorophenol chebi_ontology CHEBI:16738 2,4-dichlorophenol Beilstein:742467 Beilstein CAS:120-83-2 ChemIDplus CAS:120-83-2 KEGG COMPOUND CAS:120-83-2 NIST Chemistry WebBook Gmelin:261170 Gmelin PMID:10633543 Europe PMC Reaxys:742467 Reaxys UM-BBD_compID:c0289 UM-BBD 2,4-Dichlorophenol KEGG_COMPOUND 2,4-dichlorophenol IUPAC 2,4-dichlorophenol UniProt Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001. chebi_ontology glycans CHEBI:167559 glycan glycans ChEBI An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. 0 C10H12N2 InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N 160.21570 160.10005 NCCc1c[nH]c2ccccc12 CHEBI:15274 CHEBI:27161 CHEBI:46157 CHEBI:9767 Beilstein:125513 CAS:61-54-1 DrugBank:DB08653 Gmelin:603448 HMDB:HMDB0000303 KEGG:C00398 KNApSAcK:C00001434 MetaCyc:TRYPTAMINE PDBeChem:TSS PMID:16126914 PMID:22770225 PMID:24345948 PMID:24558969 Reaxys:125513 Wikipedia:Tryptamine 2-(1H-indol-3-yl)ethanamine Tryptamine chebi_ontology 1H-indole-3-ethanamine 2-(1H-INDOL-3-YL)ETHANAMINE 2-(3-indolyl)ethylamine 3-(2-Aminoethyl)indole CHEBI:16765 tryptamine Beilstein:125513 Beilstein CAS:61-54-1 ChemIDplus CAS:61-54-1 KEGG COMPOUND CAS:61-54-1 NIST Chemistry WebBook Gmelin:603448 Gmelin PMID:16126914 Europe PMC PMID:22770225 Europe PMC PMID:24345948 Europe PMC PMID:24558969 Europe PMC Reaxys:125513 Reaxys 2-(1H-indol-3-yl)ethanamine IUPAC Tryptamine KEGG_COMPOUND 1H-indole-3-ethanamine NIST_Chemistry_WebBook 2-(1H-INDOL-3-YL)ETHANAMINE PDBeChem 2-(3-indolyl)ethylamine ChemIDplus 3-(2-Aminoethyl)indole KEGG_COMPOUND A secondary ammonium ion that is the conjugate acid of morpholine resulting from the protonation of the NH group. Major microspecies at pH 7.3. +1 C4H10NO InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2/p+1 YNAVUWVOSKDBBP-UHFFFAOYSA-O 88.129 88.07569 C1COCC[NH2+]1 Chemspider:4199185 MetaCyc:MORPHOLINE PMID:19586072 PMID:25681783 PMID:26099357 PMID:26744296 PMID:28407378 PMID:28707619 PMID:32149213 PMID:32272314 morpholin-4-ium chebi_ontology CHEBI:167868 morpholinium PMID:19586072 Europe PMC PMID:25681783 Europe PMC PMID:26099357 Europe PMC PMID:26744296 Europe PMC PMID:28407378 Europe PMC PMID:28707619 Europe PMC PMID:32149213 Europe PMC PMID:32272314 Europe PMC morpholin-4-ium IUPAC A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. melatonin A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. 0 C5H11NO2S InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N 149.21238 149.05105 CSCCC(N)C(O)=O CHEBI:14590 CHEBI:25229 CHEBI:6829 Beilstein:636185 CAS:59-51-8 Gmelin:3117 KEGG:C01733 KEGG:D04983 PMID:16702333 PMID:22264337 PMID:2543976 Reaxys:636185 UM-BBD_compID:c0094 Wikipedia:Methionine Methionine methionine chebi_ontology 2-Amino-4-(methylthio)butyric acid 2-amino-4-(methylsulfanyl)butanoic acid 2-amino-4-(methylthio)butanoic acid DL-Methionine Hmet M Met Methionin Racemethionine alpha-amino-gamma-methylmercaptobutyric acid metionina CHEBI:16811 methionine methionine Beilstein:636185 Beilstein CAS:59-51-8 ChemIDplus CAS:59-51-8 KEGG COMPOUND CAS:59-51-8 NIST Chemistry WebBook Gmelin:3117 Gmelin PMID:16702333 Europe PMC PMID:22264337 Europe PMC PMID:2543976 Europe PMC Reaxys:636185 Reaxys UM-BBD_compID:c0094 UM-BBD Methionine KEGG_COMPOUND methionine ChEBI methionine IUPAC 2-Amino-4-(methylthio)butyric acid KEGG_COMPOUND 2-amino-4-(methylsulfanyl)butanoic acid IUPAC 2-amino-4-(methylthio)butanoic acid JCBN DL-Methionine KEGG_DRUG Hmet IUPAC M ChEBI Met ChEBI Methionin ChEBI Racemethionine KEGG_DRUG alpha-amino-gamma-methylmercaptobutyric acid NIST_Chemistry_WebBook metionina ChEBI The simplest of the methylamines, consisting of ammonia bearing a single methyl substituent. 0 CH5N InChI=1S/CH5N/c1-2/h2H2,1H3 BAVYZALUXZFZLV-UHFFFAOYSA-N 31.05714 31.04220 CN CHEBI:14595 CHEBI:25402 CHEBI:44374 CHEBI:6864 Beilstein:741851 CAS:74-89-5 DrugBank:DB01828 Gmelin:145 HMDB:HMDB0000164 KEGG:C00218 MetaCyc:METHYLAMINE PDBeChem:NME PMID:11580915 PMID:11991665 PMID:18312416 Reaxys:741851 UM-BBD_compID:c0137 Wikipedia:Methylamine METHYLAMINE Methylamine methanamine chebi_ontology CH3-NH2 MMA MeNH2 Methanamine aminomethane monomethylamine CHEBI:16830 methylamine Beilstein:741851 Beilstein CAS:74-89-5 ChemIDplus CAS:74-89-5 KEGG COMPOUND CAS:74-89-5 NIST Chemistry WebBook Gmelin:145 Gmelin PMID:11580915 Europe PMC PMID:11991665 Europe PMC PMID:18312416 Europe PMC Reaxys:741851 Reaxys UM-BBD_compID:c0137 UM-BBD METHYLAMINE PDBeChem Methylamine KEGG_COMPOUND methanamine IUPAC CH3-NH2 IUPAC MMA ChemIDplus MeNH2 ChEBI Methanamine KEGG_COMPOUND aminomethane NIST_Chemistry_WebBook monomethylamine NIST_Chemistry_WebBook A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. 0 C6H5NO3 InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N 139.10880 139.02694 Oc1ccc(cc1)[N+]([O-])=O CHEBI:12034 CHEBI:1913 CHEBI:20457 CHEBI:44390 Beilstein:1281877 CAS:100-02-7 DrugBank:DB04417 Gmelin:3311 HMDB:HMDB0001232 KEGG:C00870 MetaCyc:P-NITROPHENOL PDBeChem:NPO PMID:19365648 Reaxys:1281877 UM-BBD_compID:c0086 Wikipedia:4-Nitrophenol 4-Nitrophenol 4-nitrophenol chebi_ontology 4-Hydroxynitrobenzene Niphen P-NITROPHENOL PNP p-Nitrophenol p-hydroxynitrobenzene paranitrophenol CHEBI:16836 4-nitrophenol Beilstein:1281877 Beilstein CAS:100-02-7 ChemIDplus CAS:100-02-7 KEGG COMPOUND CAS:100-02-7 NIST Chemistry WebBook Gmelin:3311 Gmelin PMID:19365648 Europe PMC Reaxys:1281877 Reaxys UM-BBD_compID:c0086 UM-BBD 4-Nitrophenol KEGG_COMPOUND 4-nitrophenol IUPAC 4-Hydroxynitrobenzene KEGG_COMPOUND Niphen KEGG_COMPOUND P-NITROPHENOL PDBeChem PNP KEGG_COMPOUND p-Nitrophenol KEGG_COMPOUND p-hydroxynitrobenzene ChemIDplus paranitrophenol ChemIDplus A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. 0 C17H20O6 InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ HPNSFSBZBAHARI-RUDMXATFSA-N 320.33710 320.12599 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O CHEBI:43973 Beilstein:318158 CAS:24280-93-1 DrugBank:DB01024 Drug_Central:1860 KEGG:D05096 PDBeChem:MOA PMID:11272311 PMID:15470161 PMID:16629948 PMID:16640327 PMID:17482154 PMID:17498396 PMID:18194117 PMID:18611107 PMID:18996104 PMID:19689217 Patent:US4753935 Reaxys:318158 Wikipedia:Mycophenolic_acid (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid chebi_ontology (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid Micofenolico acido Mycophenolate Mycophenolsaeure acide mycophenolique acido micofenolico acidum mycophenolicum mycophenolic acid CHEBI:168396 mycophenolic acid Beilstein:318158 Beilstein CAS:24280-93-1 ChemIDplus CAS:24280-93-1 DrugBank CAS:24280-93-1 KEGG DRUG Drug_Central:1860 DrugCentral PMID:11272311 Europe PMC PMID:15470161 Europe PMC PMID:16629948 Europe PMC PMID:16640327 Europe PMC PMID:17482154 Europe PMC PMID:17498396 Europe PMC PMID:18194117 Europe PMC PMID:18611107 Europe PMC PMID:18996104 Europe PMC PMID:19689217 Europe PMC Reaxys:318158 Reaxys (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid IUPAC (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid ChemIDplus Micofenolico acido ChemIDplus Mycophenolate ChemIDplus Mycophenolsaeure ChemIDplus acide mycophenolique ChemIDplus acido micofenolico ChemIDplus acidum mycophenolicum ChemIDplus mycophenolic acid KEGG_DRUG An aldehyde resulting from the formal oxidation of methanol. 0 CH2O InChI=1S/CH2O/c1-2/h1H2 WSFSSNUMVMOOMR-UHFFFAOYSA-N 30.02598 30.01056 [H]C([H])=O CHEBI:14274 CHEBI:24077 CHEBI:337763 CHEBI:5142 Beilstein:1209228 CAS:50-00-0 DrugBank:DB03843 Drug_Central:3244 Gmelin:445 HMDB:HMDB0001426 KEGG:C00067 KEGG:D00017 MetaCyc:FORMALDEHYDE PDBeChem:FOR PMID:110589 PMID:12686735 PMID:15091529 PMID:16423181 PMID:17618393 PMID:18837732 PMID:25042713 PMID:7381846 PMID:7548723 PMID:7689168 PMID:7896413 PMID:9686972 PPDB:359 Reaxys:1209228 UM-BBD_compID:c0122 Wikipedia:Formaldehyde FORMALDEHYDE Formaldehyde formaldehyde chebi_ontology FORMALIN Formaldehyd Formalin Methanal Methylene oxide Oxomethane Oxomethylene CHEBI:16842 formaldehyde Beilstein:1209228 Beilstein CAS:50-00-0 ChemIDplus CAS:50-00-0 KEGG COMPOUND CAS:50-00-0 NIST Chemistry WebBook Drug_Central:3244 DrugCentral Gmelin:445 Gmelin PMID:110589 Europe PMC PMID:12686735 Europe PMC PMID:15091529 Europe PMC PMID:16423181 Europe PMC PMID:17618393 Europe PMC PMID:18837732 Europe PMC PMID:25042713 Europe PMC PMID:7381846 ChEMBL PMID:7548723 Europe PMC PMID:7689168 Europe PMC PMID:7896413 Europe PMC PMID:9686972 Europe PMC Reaxys:1209228 Reaxys UM-BBD_compID:c0122 UM-BBD FORMALDEHYDE PDBeChem Formaldehyde KEGG_COMPOUND formaldehyde IUPAC formaldehyde UniProt FORMALIN ChEMBL Formaldehyd NIST_Chemistry_WebBook Formalin KEGG_COMPOUND Methanal KEGG_COMPOUND Methylene oxide KEGG_COMPOUND Oxomethane KEGG_COMPOUND Oxomethylene KEGG_COMPOUND The D-enantiomer of the alpha-amino acid lysine. 0 C6H14N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1 KDXKERNSBIXSRK-RXMQYKEDSA-N 146.18764 146.10553 NCCCC[C@@H](N)C(O)=O CHEBI:12994 CHEBI:21046 CHEBI:4203 CHEBI:42062 Beilstein:1722530 CAS:923-27-3 DrugBank:DB03252 Gmelin:1926332 HMDB:HMDB0003405 KEGG:C00739 MetaCyc:CPD-219 PDBeChem:DLY PMID:10571145 PMID:10930630 PMID:125972 PMID:15561717 PMID:15914930 PMID:16595662 PMID:17259313 PMID:22569959 PMID:23023754 PMID:23090865 PMID:2435906 PMID:2493343 PMID:2503300 PMID:2510957 PMID:4359655 PMID:4391118 PMID:4710063 PMID:5128165 PMID:6448848 PMID:7563967 PMID:77880 PMID:8063049 PMID:8234494 PMID:8405749 PMID:9163947 PMID:9430472 Reaxys:1722530 (2R)-2,6-diaminohexanoic acid D-LYSINE D-Lysine D-lysine chebi_ontology (R)-2,6-diaminohexanoic acid D-2,6-Diaminohexanoic acid D-Lysin DLY CHEBI:16855 D-lysine Beilstein:1722530 Beilstein CAS:923-27-3 ChemIDplus CAS:923-27-3 KEGG COMPOUND Gmelin:1926332 Gmelin PMID:10571145 Europe PMC PMID:10930630 Europe PMC PMID:125972 Europe PMC PMID:15561717 Europe PMC PMID:15914930 Europe PMC PMID:16595662 Europe PMC PMID:17259313 Europe PMC PMID:22569959 Europe PMC PMID:23023754 Europe PMC PMID:23090865 Europe PMC PMID:2435906 Europe PMC PMID:2493343 Europe PMC PMID:2503300 Europe PMC PMID:2510957 Europe PMC PMID:4359655 Europe PMC PMID:4391118 Europe PMC PMID:4710063 Europe PMC PMID:5128165 Europe PMC PMID:6448848 Europe PMC PMID:7563967 Europe PMC PMID:77880 Europe PMC PMID:8063049 Europe PMC PMID:8234494 Europe PMC PMID:8405749 Europe PMC PMID:9163947 Europe PMC PMID:9430472 Europe PMC Reaxys:1722530 Reaxys (2R)-2,6-diaminohexanoic acid IUPAC D-LYSINE PDBeChem D-Lysine KEGG_COMPOUND D-lysine IUPAC (R)-2,6-diaminohexanoic acid ChEBI D-2,6-Diaminohexanoic acid KEGG_COMPOUND D-Lysin ChEBI DLY PDBeChem A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. 0 C10H17N3O6S InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-N 307.320 307.08381 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O CHEBI:12402 CHEBI:14327 CHEBI:24334 CHEBI:42873 CHEBI:43049 CHEBI:5437 CAS:70-18-8 Chemspider:111188 DrugBank:DB00143 Drug_Central:1312 FooDB:FDB001498 HMDB:HMDB0000125 KEGG:C00051 KEGG:D00014 KNApSAcK:C00001518 MetaCyc:GLUTATHIONE PDBeChem:GSH PMID:10577998 PMID:1362956 PMID:14988435 PMID:16112416 PMID:16316931 PMID:16391576 PMID:16404476 PMID:16621738 PMID:16650398 PMID:16780237 PMID:16877380 PMID:17439666 PMID:19580823 PMID:4200890 PMID:4745654 PMID:8207209 Reaxys:1729812 Wikipedia:Glutathione Glutathione L-gamma-glutamyl-L-cysteinylglycine chebi_ontology 5-L-Glutamyl-L-cysteinylglycine GSH Glutathione-SH N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine Reduced glutathione gamma-L-Glutamyl-L-cysteinyl-glycine CHEBI:16856 glutathione glutathione CAS:70-18-8 ChemIDplus CAS:70-18-8 KEGG COMPOUND Drug_Central:1312 DrugCentral PMID:10577998 Europe PMC PMID:1362956 Europe PMC PMID:14988435 Europe PMC PMID:16112416 Europe PMC PMID:16316931 Europe PMC PMID:16391576 Europe PMC PMID:16404476 Europe PMC PMID:16621738 Europe PMC PMID:16650398 Europe PMC PMID:16780237 Europe PMC PMID:16877380 Europe PMC PMID:17439666 Europe PMC PMID:19580823 Europe PMC PMID:4200890 Europe PMC PMID:4745654 Europe PMC PMID:8207209 Europe PMC Reaxys:1729812 Reaxys Glutathione KEGG_COMPOUND L-gamma-glutamyl-L-cysteinylglycine IUPAC 5-L-Glutamyl-L-cysteinylglycine KEGG_COMPOUND GSH KEGG_COMPOUND Glutathione-SH HMDB N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine KEGG_COMPOUND Reduced glutathione KEGG_COMPOUND gamma-L-Glutamyl-L-cysteinyl-glycine KEGG_COMPOUND A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. 0 C4H9NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N 103.11980 103.06333 NCCCC(O)=O CHEBI:1786 CHEBI:193777 CHEBI:20318 CHEBI:40483 BPDB:2298 Beilstein:906818 CAS:56-12-2 DrugBank:DB02530 Drug_Central:1262 Gmelin:49775 HMDB:HMDB0000112 KEGG:C00334 KEGG:D00058 KNApSAcK:C00001337 LIPID_MAPS_instance:LMFA01100039 MetaCyc:4-AMINO-BUTYRATE PDBeChem:ABU PMID:10630630 PMID:10930630 PMID:16276116 PMID:21614609 PMID:22770225 Reaxys:906818 Wikipedia:Gamma-Aminobutyric_acid 4-aminobutanoic acid gamma-Aminobutyric acid gamma-aminobutyric acid chebi_ontology 4-Aminobutanoic acid 4-Aminobutyric acid 4-aminobutanoic acid 4-aminobutyric acid 4Abu GABA GAMMA-AMINO-BUTANOIC ACID gamma-Aminobuttersaeure gamma-amino-n-butyric acid gamma-aminobutanoic acid omega-aminobutyric acid piperidic acid piperidinic acid CHEBI:16865 gamma-aminobutyric acid Beilstein:906818 Beilstein CAS:56-12-2 ChemIDplus CAS:56-12-2 KEGG COMPOUND CAS:56-12-2 NIST Chemistry WebBook Drug_Central:1262 DrugCentral Gmelin:49775 Gmelin LIPID_MAPS_instance:LMFA01100039 LIPID MAPS PMID:10630630 Europe PMC PMID:10930630 Europe PMC PMID:16276116 Europe PMC PMID:21614609 Europe PMC PMID:22770225 Europe PMC Reaxys:906818 Reaxys 4-aminobutanoic acid IUPAC gamma-Aminobutyric acid KEGG_COMPOUND gamma-aminobutyric acid NIST_Chemistry_WebBook 4-Aminobutanoic acid KEGG_COMPOUND 4-Aminobutyric acid KEGG_COMPOUND 4-aminobutanoic acid ChEBI 4-aminobutyric acid ChEBI 4Abu ChEBI GABA IUPHAR GABA KEGG_COMPOUND GAMMA-AMINO-BUTANOIC ACID PDBeChem gamma-Aminobuttersaeure NIST_Chemistry_WebBook gamma-amino-n-butyric acid NIST_Chemistry_WebBook gamma-aminobutanoic acid NIST_Chemistry_WebBook omega-aminobutyric acid NIST_Chemistry_WebBook piperidic acid ChemIDplus piperidinic acid ChemIDplus A quinoline N-oxide carrying a nitro substituent at position 4. 0 C9H6N2O3 InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H YHQDZJICGQWFHK-UHFFFAOYSA-N 190.15550 190.03784 [O-][N+](=O)c1cc[n+]([O-])c2ccccc12 CHEBI:12037 CHEBI:1917 CHEBI:20460 CHEBI:57944 CAS:56-57-5 KEGG:C03474 PMID:16448841 PMID:24105297 Reaxys:165756 Wikipedia:4-Nitroquinoline_1-oxide 4-Nitroquinoline N-oxide 4-nitroquinoline 1-oxide 4-nitroquinoline N-oxide chebi_ontology 4-Nitroquinoline 1-oxide 4-Nitroquinoline-1-oxide 4-Nitroquinoline-N-oxide 4-nitroquinoline 1-oxide Nitrochin CHEBI:16907 4-nitroquinoline N-oxide CAS:56-57-5 KEGG COMPOUND CAS:56-57-5 NIST Chemistry WebBook PMID:16448841 Europe PMC PMID:24105297 Europe PMC Reaxys:165756 Reaxys 4-Nitroquinoline N-oxide KEGG_COMPOUND 4-nitroquinoline 1-oxide IUPAC 4-nitroquinoline N-oxide ChEBI 4-nitroquinoline N-oxide UniProt 4-Nitroquinoline 1-oxide KEGG_COMPOUND 4-Nitroquinoline-1-oxide ChemIDplus 4-Nitroquinoline-N-oxide ChemIDplus 4-nitroquinoline 1-oxide ChEBI Nitrochin NIST_Chemistry_WebBook A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. 0 C7H6O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N 138.12070 138.03169 OC(=O)c1ccccc1O CHEBI:26597 CHEBI:45521 CHEBI:9006 Beilstein:774890 CAS:69-72-7 DrugBank:DB00936 Drug_Central:2416 Gmelin:3418 HMDB:HMDB0001895 KEGG:C00805 KEGG:D00097 KNApSAcK:C00000206 LINCS:LSM-4763 MetaCyc:CPD-110 PDBeChem:SAL PMID:11016405 PMID:12865403 PMID:1650428 PMID:19400653 PMID:19816125 PMID:22770225 PMID:29079364 PMID:32807953 PMID:3425858 Reaxys:774890 Wikipedia:Salicylic_Acid 2-hydroxybenzoic acid Salicylic acid chebi_ontology 2-HYDROXYBENZOIC ACID 2-carboxyphenol 2-hydroxybenzoic acid o-Hydroxybenzoic acid o-carboxyphenol o-hydroxybenzoic acid CHEBI:16914 salicylic acid salicylic acid Beilstein:774890 Beilstein CAS:69-72-7 ChemIDplus CAS:69-72-7 KEGG COMPOUND CAS:69-72-7 NIST Chemistry WebBook Drug_Central:2416 DrugCentral Gmelin:3418 Gmelin PMID:11016405 Europe PMC PMID:12865403 Europe PMC PMID:1650428 Europe PMC PMID:19400653 Europe PMC PMID:19816125 Europe PMC PMID:22770225 Europe PMC PMID:29079364 Europe PMC PMID:32807953 Europe PMC PMID:3425858 Europe PMC Reaxys:774890 Reaxys 2-hydroxybenzoic acid IUPAC Salicylic acid KEGG_COMPOUND 2-HYDROXYBENZOIC ACID PDBeChem 2-carboxyphenol NIST_Chemistry_WebBook o-Hydroxybenzoic acid KEGG_COMPOUND o-carboxyphenol NIST_Chemistry_WebBook o-hydroxybenzoic acid NIST_Chemistry_WebBook A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. 0 C3H7NO2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N 89.09322 89.04768 NCCC(O)=O CHEBI:10343 CHEBI:12389 CHEBI:22821 CHEBI:41050 Beilstein:906793 CAS:107-95-9 DrugBank:DB03107 Gmelin:49614 HMDB:HMDB0000056 KEGG:C00099 KEGG:D07561 KNApSAcK:C00001333 MetaCyc:B-ALANINE PDBeChem:BAL PMID:11139233 PMID:11850512 PMID:12107759 PMID:12887142 PMID:14363188 PMID:16934791 PMID:18528519 PMID:18613640 PMID:19239140 PMID:19955842 PMID:20199122 PMID:20386120 PMID:20479615 PMID:20994958 PMID:22735334 Reaxys:906793 Wikipedia:Beta-Alanine 3-aminopropanoic acid BETA-ALANINE beta-Alanine beta-alanine chebi_ontology 3-Aminopropionic acid 3-aminopropanoic acid H-beta-Ala-OH bAla beta-aminopropionic acid omega-aminopropionic acid CHEBI:16958 beta-alanine Beilstein:906793 Beilstein CAS:107-95-9 ChemIDplus CAS:107-95-9 KEGG COMPOUND CAS:107-95-9 NIST Chemistry WebBook Gmelin:49614 Gmelin PMID:11139233 Europe PMC PMID:11850512 Europe PMC PMID:12107759 Europe PMC PMID:12887142 Europe PMC PMID:14363188 Europe PMC PMID:16934791 Europe PMC PMID:18528519 Europe PMC PMID:18613640 Europe PMC PMID:19239140 Europe PMC PMID:19955842 Europe PMC PMID:20199122 Europe PMC PMID:20386120 Europe PMC PMID:20479615 Europe PMC PMID:20994958 Europe PMC PMID:22735334 Europe PMC Reaxys:906793 Reaxys 3-aminopropanoic acid IUPAC BETA-ALANINE PDBeChem beta-Alanine KEGG_COMPOUND beta-alanine IUPAC 3-Aminopropionic acid KEGG_COMPOUND 3-aminopropanoic acid ChEBI H-beta-Ala-OH ChEBI bAla ChEBI beta-aminopropionic acid NIST_Chemistry_WebBook omega-aminopropionic acid ChEBI Derivatives of phosphoglycerols which have only one of the alcohol groups of the glycerol backbone ester-linked with a fatty acid. CHEBI:14542 CHEBI:36570 CHEBI:6606 chebi_ontology Lysophospholipid lysophospholipids monoacylglycerol phosphates monoacylglycerophosphate monoacylglycerophosphates CHEBI:16961 monoacylglycerol phosphate Lysophospholipid KEGG_COMPOUND lysophospholipids ChEBI monoacylglycerol phosphates ChEBI monoacylglycerophosphate ChEBI monoacylglycerophosphates ChEBI A C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20. 0 C21H28O5 InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N 360.44402 360.19367 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHEBI:14026 CHEBI:23397 CHEBI:3896 Beilstein:1356062 CAS:53-06-5 HMDB:HMDB0002802 KEGG:C00762 KEGG:D07749 LIPID_MAPS_instance:LMST02030090 MetaCyc:CORTISONE PMID:11710540 PMID:14874924 PMID:2268561 PMID:24391193 PMID:8989250 Reaxys:1356062 Wikipedia:Cortisone 17,21-dihydroxypregn-4-ene-3,11,20-trione Cortisone cortisone chebi_ontology 11-dehydro-17-hydroxycorticosterone 17-hydroxy-11-dehydrocorticosterone 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione 17alpha,21-dihydroxy-4-pregnene-3,11,20-trione 4-pregnene-17alpha,21-diol-3,11,20-trione Cortison Delta(4)-pregnene-17alpha,21-diol-3,11,20-trione Kendall's compound E Kortison Reichstein's substance Fa Wintersteiner's compound F pregn-4-en-17alpha,21-diol-3,11,20-trione CHEBI:16962 cortisone Beilstein:1356062 Beilstein CAS:53-06-5 ChemIDplus CAS:53-06-5 KEGG COMPOUND CAS:53-06-5 NIST Chemistry WebBook LIPID_MAPS_instance:LMST02030090 LIPID MAPS PMID:11710540 Europe PMC PMID:14874924 Europe PMC PMID:2268561 Europe PMC PMID:24391193 Europe PMC PMID:8989250 Europe PMC Reaxys:1356062 Reaxys 17,21-dihydroxypregn-4-ene-3,11,20-trione IUPAC Cortisone KEGG_COMPOUND cortisone UniProt 11-dehydro-17-hydroxycorticosterone ChemIDplus 17-hydroxy-11-dehydrocorticosterone ChemIDplus 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione KEGG_COMPOUND 17alpha,21-dihydroxy-4-pregnene-3,11,20-trione NIST_Chemistry_WebBook 4-pregnene-17alpha,21-diol-3,11,20-trione NIST_Chemistry_WebBook Cortison NIST_Chemistry_WebBook Delta(4)-pregnene-17alpha,21-diol-3,11,20-trione ChEBI Kendall's compound E KEGG_COMPOUND Kortison ChEBI Reichstein's substance Fa KEGG_COMPOUND Wintersteiner's compound F ChemIDplus pregn-4-en-17alpha,21-diol-3,11,20-trione NIST_Chemistry_WebBook A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. 0 C21H30O3 InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 ZESRJSPZRDMNHY-YFWFAHHUSA-N 330.46110 330.21949 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO CHEBI:11314 CHEBI:19123 CHEBI:39642 CHEBI:713 CHEBI:86536 Beilstein:2062123 CAS:64-85-7 Drug_Central:820 KEGG:C03205 KEGG:D07792 LIPID_MAPS_instance:LMST02030087 MetaCyc:11-DEOXYCORTICOSTERONE PDBeChem:1CA PMID:22770225 Reaxys:2062123 Wikipedia:Desoxycorticosterone 11-Deoxycorticosterone 21-hydroxypregn-4-ene-3,20-dione chebi_ontology 21-Hydroxy-4-pregnene-3,20-dione 21-hydroxyprogesterone 4-pregnen-21-ol-3,20-dione Cortexone DESOXYCORTICOSTERONE DOC Deoxycorticosterone Desoxycortone Kendall's desoxy compound B Reichstein's substance Q desoxycortone CHEBI:16973 11-deoxycorticosterone Beilstein:2062123 Beilstein CAS:64-85-7 ChemIDplus CAS:64-85-7 KEGG COMPOUND CAS:64-85-7 NIST Chemistry WebBook Drug_Central:820 DrugCentral LIPID_MAPS_instance:LMST02030087 LIPID MAPS PMID:22770225 Europe PMC Reaxys:2062123 Reaxys 11-Deoxycorticosterone KEGG_COMPOUND 21-hydroxypregn-4-ene-3,20-dione IUPAC 21-Hydroxy-4-pregnene-3,20-dione KEGG_COMPOUND 21-hydroxyprogesterone ChemIDplus 21-hydroxyprogesterone UniProt 4-pregnen-21-ol-3,20-dione ChemIDplus Cortexone KEGG_COMPOUND DESOXYCORTICOSTERONE PDBeChem DOC KEGG_COMPOUND Deoxycorticosterone KEGG_COMPOUND Desoxycortone KEGG_COMPOUND Kendall's desoxy compound B ChemIDplus Reichstein's substance Q NIST_Chemistry_WebBook desoxycortone ChemIDplus 0 C4H8O7PR 199.07590 199.00076 O[C@H](COC([*])=O)COP(O)(O)=O CHEBI:11227 CHEBI:18993 CHEBI:590 KEGG:C00681 PMID:21376640 1-Acyl-sn-glycerol 3-phosphate chebi_ontology 1-acyl-sn-glycerol 3-phosphates 2-Lysophosphatidate Lysophosphatidate Lysophosphatidic acid lysophosphatidic acid CHEBI:16975 1-acyl-sn-glycerol 3-phosphate PMID:21376640 Europe PMC 1-Acyl-sn-glycerol 3-phosphate KEGG_COMPOUND 1-acyl-sn-glycerol 3-phosphates ChEBI 2-Lysophosphatidate KEGG_COMPOUND Lysophosphatidate KEGG_COMPOUND Lysophosphatidic acid KEGG_COMPOUND lysophosphatidic acid ChEBI The L-enantiomer of alanine. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 QNAYBMKLOCPYGJ-REOHCLBHSA-N 89.09322 89.04768 C[C@H](N)C(O)=O CHEBI:13069 CHEBI:21216 CHEBI:40734 CHEBI:40735 CHEBI:46308 CHEBI:6171 Beilstein:1720248 CAS:56-41-7 DrugBank:DB00160 Drug_Central:4255 ECMDB:ECMDB00161 Gmelin:49628 HMDB:HMDB0000161 KEGG:C00041 KEGG:D00012 KNApSAcK:C00001332 MetaCyc:ALPHA-ALANINE PDBeChem:ALA_LFOH PMID:18235971 PMID:22735334 PMID:3275662 Reaxys:1720248 Wikipedia:Alanine YMDB:YMDB00154 L-Alanine L-alanine chebi_ontology (2S)-2-aminopropanoic acid (S)-2-aminopropanoic acid (S)-alanine A ALANINE Ala L-2-Aminopropionic acid L-Alanin L-alpha-Alanine L-alpha-alanine CHEBI:16977 L-alanine Beilstein:1720248 Beilstein CAS:56-41-7 ChemIDplus CAS:56-41-7 KEGG COMPOUND CAS:56-41-7 NIST Chemistry WebBook Drug_Central:4255 DrugCentral Gmelin:49628 Gmelin PMID:18235971 Europe PMC PMID:22735334 Europe PMC PMID:3275662 Europe PMC Reaxys:1720248 Reaxys L-Alanine KEGG_COMPOUND L-alanine IUPAC (2S)-2-aminopropanoic acid IUPAC (S)-2-aminopropanoic acid ChEBI (S)-alanine NIST_Chemistry_WebBook A ChEBI ALANINE PDBeChem Ala NIST_Chemistry_WebBook L-2-Aminopropionic acid KEGG_COMPOUND L-Alanin ChEBI L-alpha-Alanine KEGG_COMPOUND L-alpha-alanine NIST_Chemistry_WebBook A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde. 0 C5H10O5 150.12990 150.05282 CHEBI:13011 CHEBI:21078 DrugBank:DB01936 PMID:24404872 PMID:24752650 D-ribo-pentose D-ribose chebi_ontology D-Rib CHEBI:16988 D-ribose PMID:24404872 Europe PMC PMID:24752650 Europe PMC D-ribo-pentose IUPAC D-ribose IUPAC D-Rib JCBN High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms. CHEBI:13302 CHEBI:21123 CHEBI:33698 CHEBI:4291 CAS:9007-49-2 KEGG:C00039 Deoxyribonucleic acid deoxyribonucleic acids chebi_ontology (Deoxyribonucleotide)m (Deoxyribonucleotide)n (Deoxyribonucleotide)n+m DNA DNAn DNAn+1 DNS Desoxyribonukleinsaeure deoxyribonucleic acids desoxyribose nucleic acid thymus nucleic acid CHEBI:16991 deoxyribonucleic acid CAS:9007-49-2 ChemIDplus CAS:9007-49-2 KEGG COMPOUND Deoxyribonucleic acid KEGG_COMPOUND deoxyribonucleic acids IUPAC (Deoxyribonucleotide)m KEGG_COMPOUND (Deoxyribonucleotide)n KEGG_COMPOUND (Deoxyribonucleotide)n+m KEGG_COMPOUND DNA IUPAC DNA KEGG_COMPOUND DNA UniProt DNAn KEGG_COMPOUND DNAn+1 KEGG_COMPOUND DNS ChEBI Desoxyribonukleinsaeure ChEBI deoxyribonucleic acids ChEBI desoxyribose nucleic acid ChemIDplus thymus nucleic acid ChEBI An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. 0 C2H2O4 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) MUBZPKHOEPUJKR-UHFFFAOYSA-N 90.03490 89.99531 OC(=O)C(O)=O CHEBI:25730 CHEBI:44583 CHEBI:7811 Beilstein:385686 CAS:144-62-7 DrugBank:DB03902 Gmelin:2208 HMDB:HMDB0002329 KEGG:C00209 KNApSAcK:C00001198 LIPID_MAPS_instance:LMFA01170031 MetaCyc:OXALATE PDBeChem:OXD PMID:15587083 PMID:22735334 Reaxys:385686 Wikipedia:Oxalic_acid OXALIC ACID Oxalic acid oxalic acid chebi_ontology Ethandisaeure Ethanedioic acid H2ox HOOCCOOH Oxalsaeure ethane-1,2-dioic acid CHEBI:16995 oxalic acid oxalic acid Beilstein:385686 Beilstein CAS:144-62-7 ChemIDplus CAS:144-62-7 KEGG COMPOUND CAS:144-62-7 NIST Chemistry WebBook Gmelin:2208 Gmelin LIPID_MAPS_instance:LMFA01170031 LIPID MAPS PMID:15587083 Europe PMC PMID:22735334 Europe PMC Reaxys:385686 Reaxys OXALIC ACID PDBeChem Oxalic acid KEGG_COMPOUND oxalic acid IUPAC Ethandisaeure ChEBI Ethanedioic acid KEGG_COMPOUND H2ox IUPAC HOOCCOOH NIST_Chemistry_WebBook Oxalsaeure ChEBI ethane-1,2-dioic acid NIST_Chemistry_WebBook -1 C20H27O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14- SHGAZHPCJJPHSC-XFYACQKRSA-M 299.435 299.20165 C1(C)(C)CCCC(C)=C1/C=C/C(=C/C=C/C(=C\C(=O)[O-])/C)/C PMID:12576512 13-cis-retinoate chebi_ontology (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate CHEBI:169952 13-cis-retinoate PMID:12576512 SUBMITTER 13-cis-retinoate UniProt (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate SUBMITTER propane-1,2-diol The D-enantiomer of phenylalanine. 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 COLNVLDHVKWLRT-MRVPVSSYSA-N 165.18918 165.07898 N[C@H](Cc1ccccc1)C(O)=O CHEBI:13007 CHEBI:21067 CHEBI:42207 CHEBI:4224 Beilstein:2804068 CAS:673-06-3 DrugBank:DB02556 ECMDB:ECMDB20144 Gmelin:83219 KEGG:C02265 MetaCyc:CPD-216 PDBeChem:DPN PMID:22382026 PMID:22397264 PMID:24464217 PMID:7114516 Reaxys:2804068 YMDB:YMDB00995 (2R)-2-amino-3-phenylpropanoic acid D-PHENYLALANINE D-Phenylalanine D-phenylalanine chebi_ontology D-Phe D-alpha-Amino-beta-phenylpropionic acid DPN phenylalanine D-form CHEBI:16998 D-phenylalanine Beilstein:2804068 Beilstein CAS:673-06-3 ChemIDplus CAS:673-06-3 KEGG COMPOUND Gmelin:83219 Gmelin PMID:22382026 Europe PMC PMID:22397264 Europe PMC PMID:24464217 Europe PMC PMID:7114516 Europe PMC Reaxys:2804068 Reaxys (2R)-2-amino-3-phenylpropanoic acid IUPAC D-PHENYLALANINE PDBeChem D-Phenylalanine KEGG_COMPOUND D-phenylalanine IUPAC D-Phe ChEBI D-alpha-Amino-beta-phenylpropionic acid KEGG_COMPOUND DPN PDBeChem phenylalanine D-form ChemIDplus D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. riboflavin vitamin b2 http://langual.org 0 C17H20N4O6 InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N 376.369 376.13828 CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 CHEBI:15044 CHEBI:27299 CHEBI:45214 CHEBI:529204 CHEBI:8843 Beilstein:97831 CAS:83-88-5 Chemspider:431981 Codex::101(i) DrugBank:DB00140 Drug_Central:2834 Europe::101 FooDB:FDB012160 HMDB:HMDB0000244 KEGG:C00255 KEGG:D00050 KNApSAcK:C00001552 LINCS:LSM-4084 MetaCyc:RIBOFLAVIN PDBeChem:RBF PMID:10566553 PMID:11399071 PMID:11606856 PMID:12083520 PMID:12354259 PMID:12927541 PMID:14963913 PMID:16273338 PMID:16460756 PMID:16658098 PMID:182198 PMID:18832377 PMID:19169240 PMID:19212411 PMID:19854891 PMID:22770225 PMID:2369885 PMID:23818044 PMID:24643482 PMID:24816110 PMID:25108762 PMID:25468971 PMID:25887755 PMID:2631092 PMID:29937405 PMID:3142982 PMID:33154451 PMID:33304888 PMID:33886098 PMID:33892358 PMID:34156642 PMID:3592624 PMID:3878498 PMID:4019261 PMID:6475825 PMID:6546833 PMID:6650303 PMID:7101408 PMID:7883462 PMID:8487103 PMID:8604671 PMID:8678471 PMID:8976642 PMID:9184778 PMID:9808225 PMID:9874201 Patent:US2807611 Patent:US2876169 Reaxys:97831 Wikipedia:Riboflavin http://www.langual.org/langual_thesaurus.asp?termid=B3233 http://www.langual.org/langual_thesaurus.asp?termid=B3756 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol chebi_ontology 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol 6,7-dimethyl-9-D-ribitylisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-ribitylisoalloxazine Aqua-Flave Beflavin Beflavine Bisulase Dermadram E101 Fiboflavin Flavaxin Flavin Bb Flaxain Hyflavin Vitamin B2 lactoflavin riboflavin riboflavin (vit B2) riboflavina riboflavine riboflavinum vitamin B2 vitamin G vitasan B2 riboflavin, synthetic CHEBI:17015 LanguaL term definition: Food additive; technological purpose(s): colour. riboflavin riboflavin Beilstein:97831 Beilstein CAS:83-88-5 ChemIDplus CAS:83-88-5 KEGG COMPOUND CAS:83-88-5 NIST Chemistry WebBook Drug_Central:2834 DrugCentral PMID:10566553 Europe PMC PMID:11399071 Europe PMC PMID:11606856 Europe PMC PMID:12083520 Europe PMC PMID:12354259 Europe PMC PMID:12927541 Europe PMC PMID:14963913 Europe PMC PMID:16273338 Europe PMC PMID:16460756 Europe PMC PMID:16658098 Europe PMC PMID:182198 Europe PMC PMID:18832377 Europe PMC PMID:19169240 Europe PMC PMID:19212411 Europe PMC PMID:19854891 Europe PMC PMID:22770225 Europe PMC PMID:2369885 Europe PMC PMID:23818044 Europe PMC PMID:24643482 Europe PMC PMID:24816110 Europe PMC PMID:25108762 Europe PMC PMID:25468971 Europe PMC PMID:25887755 Europe PMC PMID:2631092 Europe PMC PMID:29937405 Europe PMC PMID:3142982 Europe PMC PMID:33154451 Europe PMC PMID:33304888 Europe PMC PMID:33886098 Europe PMC PMID:33892358 Europe PMC PMID:34156642 Europe PMC PMID:3592624 Europe PMC PMID:3878498 Europe PMC PMID:4019261 Europe PMC PMID:6475825 Europe PMC PMID:6546833 Europe PMC PMID:6650303 Europe PMC PMID:7101408 Europe PMC PMID:7883462 Europe PMC PMID:8487103 Europe PMC PMID:8604671 Europe PMC PMID:8678471 Europe PMC PMID:8976642 Europe PMC PMID:9184778 Europe PMC PMID:9808225 Europe PMC PMID:9874201 Europe PMC Reaxys:97831 Reaxys 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol IUPAC 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol NIST_Chemistry_WebBook 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol ChEBI 6,7-dimethyl-9-D-ribitylisoalloxazine ChemIDplus 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione ChEBI 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine ChemIDplus 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione IUPAC 7,8-dimethyl-10-ribitylisoalloxazine KEGG_COMPOUND Aqua-Flave ChemIDplus Beflavin ChemIDplus Beflavine ChemIDplus Bisulase KEGG_DRUG Dermadram ChemIDplus E101 ChEBI Fiboflavin ChemIDplus Flavaxin ChemIDplus Flavin Bb ChemIDplus Flaxain ChemIDplus Hyflavin ChemIDplus Vitamin B2 KEGG_COMPOUND lactoflavin KEGG_COMPOUND riboflavin WHO_MedNet riboflavin (vit B2) DrugCentral riboflavina WHO_MedNet riboflavine WHO_MedNet riboflavinum WHO_MedNet vitamin B2 ChEBI vitamin G DrugBank vitasan B2 ChemIDplus A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. 0 C21H30O2 InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 RJKFOVLPORLFTN-LEKSSAKUSA-N 314.46170 314.22458 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHEBI:14896 CHEBI:18798 CHEBI:26269 CHEBI:439 CHEBI:45786 CHEBI:8453 Beilstein:1915950 CAS:57-83-0 DrugBank:DB00396 Drug_Central:2279 Gmelin:708590 HMDB:HMDB0001830 KEGG:C00410 KEGG:D00066 MetaCyc:PROGESTERONE PDBeChem:STR PMID:10438974 PMID:9506942 Reaxys:1915950 Wikipedia:Progesterone PROGESTERONE Progesterone pregn-4-ene-3,20-dione progesterone chebi_ontology (S)-4-Pregnene-3,20-dione (S)-Pregn-4-en-3,20-dione (S)-Progesterone 17alpha-progesterone 4-Pregnene-3,20-dione Agolutin Akrolutin Crinone Delta(4)-pregnene-3,20-dione Gelbkoerperhormon Progesteron corpus luteum hormone luteohormone CHEBI:17026 progesterone Beilstein:1915950 Beilstein CAS:57-83-0 ChemIDplus CAS:57-83-0 KEGG COMPOUND CAS:57-83-0 NIST Chemistry WebBook Drug_Central:2279 DrugCentral Gmelin:708590 Gmelin PMID:10438974 Europe PMC PMID:9506942 Europe PMC Reaxys:1915950 Reaxys PROGESTERONE PDBeChem Progesterone KEGG_COMPOUND pregn-4-ene-3,20-dione IUPAC progesterone UniProt (S)-4-Pregnene-3,20-dione KEGG_COMPOUND (S)-Pregn-4-en-3,20-dione KEGG_COMPOUND (S)-Progesterone KEGG_COMPOUND 17alpha-progesterone NIST_Chemistry_WebBook 4-Pregnene-3,20-dione KEGG_COMPOUND Agolutin NIST_Chemistry_WebBook Akrolutin ChEBI Crinone ChemIDplus Delta(4)-pregnene-3,20-dione ChEBI Gelbkoerperhormon ChEBI Progesteron ChEBI corpus luteum hormone ChemIDplus luteohormone ChemIDplus An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. 0 H2O(C8H13NO5)n CHEBI:13962 CHEBI:23099 CHEBI:3596 CAS:1398-61-4 KEGG:C00461 KEGG:G10483 (1->4)-2-acetamido-2-deoxy-beta-D-glucan Chitin chitin chebi_ontology [1,4-(N-Acetyl-beta-D-glucosaminyl)]n [4)-beta-D-GlcpNAc(1->]n beta-1,4-Poly-N-acetyl-D-glucosamine CHEBI:17029 chitin CAS:1398-61-4 KEGG COMPOUND (1->4)-2-acetamido-2-deoxy-beta-D-glucan IUPAC Chitin KEGG_COMPOUND chitin IUPAC chitin UniProt [1,4-(N-Acetyl-beta-D-glucosaminyl)]n KEGG_COMPOUND [4)-beta-D-GlcpNAc(1->]n IUPAC beta-1,4-Poly-N-acetyl-D-glucosamine KEGG_COMPOUND A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits. 0 C12H10O InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H LLEMOWNGBBNAJR-UHFFFAOYSA-N 170.20720 170.07316 Oc1ccccc1-c1ccccc1 CHEBI:1146 CHEBI:11591 CHEBI:19629 CAS:90-43-7 Drug_Central:4768 HMDB:HMDB0032582 KEGG:C02499 KEGG:D08367 PMID:14753781 PMID:23156781 PMID:23665931 PMID:24525378 PPDB:1340 Reaxys:606907 UM-BBD_compID:c0269 Wikipedia:Biphenyl-2-ol [1,1'-biphenyl]-2-ol biphenyl-2-ol chebi_ontology 2-Biphenylol 2-Hydroxybiphenyl 2-Phenylphenol Orthophenyl phenol o-diphenylol o-hydroxybiphenyl o-hydroxydiphenyl o-phenylphenol CHEBI:17043 biphenyl-2-ol biphenyl-2-ol A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream. nitrous oxide http://langual.org Codex::942 Europe::942 http://www.langual.org/langual_thesaurus.asp?termid=B3174 LanguaL term definition: Food additive; technological purpose(s): antioxidant, foaming agent, packaging gas, propellant. dinitrogen oxide -1 F InChI=1S/FH/h1H/p-1 KRHYYFGTRYWZRS-UHFFFAOYSA-M 18.99840 18.99895 [F-] CHEBI:14271 CHEBI:49593 CHEBI:5113 CAS:16984-48-8 Gmelin:14905 KEGG:C00742 PDBeChem:F Fluoride fluoride fluoride(1-) chebi_ontology F(-) F- FLUORIDE ION Fluoride ion Fluorine anion CHEBI:17051 fluoride fluoride CAS:16984-48-8 ChemIDplus CAS:16984-48-8 NIST Chemistry WebBook Gmelin:14905 Gmelin Fluoride KEGG_COMPOUND fluoride IUPAC fluoride UniProt fluoride(1-) IUPAC F(-) IUPAC F- KEGG_COMPOUND FLUORIDE ION PDBeChem Fluoride ion KEGG_COMPOUND Fluorine anion NIST_Chemistry_WebBook The D-enantiomer of glutamine. 0 C5H10N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 146.146 146.06914 O=C(O)[C@H](N)CCC(=O)N CHEBI:12980 CHEBI:21024 CHEBI:4184 Beilstein:1723796 CAS:5959-95-5 DrugBank:DB02174 ECMDB:ECMDB03423 Gmelin:1318700 HMDB:HMDB0003423 KEGG:C00819 MetaCyc:GLUTAMIDE PDBeChem:DGN PMID:21048866 PMID:21182880 PMID:22291598 PMID:3697715 PMID:7197365 Patent:WO2011109119 Reaxys:1723796 YMDB:YMDB00990 D-Glutamine D-glutamine chebi_ontology (2R)-2,5-diamino-5-oxopentanoic acid (2R)-2-amino-4-carbamoylbutanoic acid (R)-2,5-diamino-5-oxopentanoic acid D-2-Aminoglutaramic acid D-Glutamin D-Glutaminsaeure-5-amid DGN CHEBI:17061 D-glutamine Beilstein:1723796 Beilstein CAS:5959-95-5 ChemIDplus CAS:5959-95-5 KEGG COMPOUND Gmelin:1318700 Gmelin PMID:21048866 Europe PMC PMID:21182880 Europe PMC PMID:22291598 Europe PMC PMID:3697715 Europe PMC PMID:7197365 Europe PMC Reaxys:1723796 Reaxys D-Glutamine KEGG_COMPOUND D-glutamine IUPAC (2R)-2,5-diamino-5-oxopentanoic acid IUPAC (2R)-2-amino-4-carbamoylbutanoic acid JCBN (R)-2,5-diamino-5-oxopentanoic acid ChEBI D-2-Aminoglutaramic acid KEGG_COMPOUND D-Glutamin ChEBI D-Glutaminsaeure-5-amid ChEBI DGN PDBeChem 0 CH4NR 30.04920 30.03437 NC[*] CHEBI:13431 CHEBI:8749 KEGG:C00375 chebi_ontology RCH2NH2 primary aliphatic amines CHEBI:17062 primary aliphatic amine RCH2NH2 ChEBI RCH2NH2 KEGG_COMPOUND primary aliphatic amines ChEBI A nitroaniline carrying a nitro group at position 4. 0 C6H6N2O2 InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2 TYMLOMAKGOJONV-UHFFFAOYSA-N 138.12400 138.04293 Nc1ccc(cc1)[N+]([O-])=O CHEBI:12032 CHEBI:1910 CHEBI:20455 CHEBI:44545 Beilstein:508690 CAS:100-01-6 Gmelin:27331 KEGG:C02126 MetaCyc:4-NITROANILINE PDBeChem:NIT PMID:23090935 PMID:24116023 Reaxys:508690 Wikipedia:4-Nitroaniline 4-NITROANILINE 4-Nitroaniline 4-nitroaniline chebi_ontology 1-amino-4-nitrobenzene 4-Nitrobenzeneamine 4-nitraniline p-Nitroaniline p-aminonitrobenzene p-nitraniline p-nitrophenylamine CHEBI:17064 4-nitroaniline Beilstein:508690 Beilstein CAS:100-01-6 ChemIDplus CAS:100-01-6 KEGG COMPOUND CAS:100-01-6 NIST Chemistry WebBook Gmelin:27331 Gmelin PMID:23090935 Europe PMC PMID:24116023 Europe PMC Reaxys:508690 Reaxys 4-NITROANILINE PDBeChem 4-Nitroaniline KEGG_COMPOUND 4-nitroaniline IUPAC 4-nitroaniline UniProt 1-amino-4-nitrobenzene NIST_Chemistry_WebBook 4-Nitrobenzeneamine KEGG_COMPOUND 4-nitraniline NIST_Chemistry_WebBook p-Nitroaniline KEGG_COMPOUND p-aminonitrobenzene NIST_Chemistry_WebBook p-nitraniline NIST_Chemistry_WebBook p-nitrophenylamine NIST_Chemistry_WebBook A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class 0 C21H39N7O12 InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 UCSJYZPVAKXKNQ-HZYVHMACSA-N 581.57434 581.26567 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N CHEBI:15119 CHEBI:26784 CHEBI:45745 CHEBI:9284 Beilstein:74498 CAS:57-92-1 DrugBank:DB01082 Drug_Central:2481 HMDB:HMDB0015214 KEGG:C00413 KEGG:D08531 MetaCyc:STREPTOMYCIN PDBeChem:SRY PMID:11228320 PMID:11905029 PMID:12118520 PMID:13030054 PMID:13116094 PMID:13136149 PMID:13596285 PMID:13691614 PMID:13985260 PMID:13990247 PMID:14623118 PMID:14828344 PMID:14852338 PMID:14939639 PMID:15081082 PMID:15137533 PMID:15207172 PMID:15686853 PMID:15736038 PMID:16904706 PMID:17105735 PMID:17238915 PMID:17429930 PMID:18173084 PMID:18916143 PMID:19052412 PMID:19335957 PMID:21350946 PMID:21362244 PMID:21593257 PMID:21937264 PMID:22101040 Pesticides:streptomycin Reaxys:74498 Wikipedia:Streptomycin N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine STREPTOMYCIN chebi_ontology 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside Kantrex SM [2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine} streomycin streptomycin CHEBI:17076 streptomycin Beilstein:74498 Beilstein CAS:57-92-1 ChemIDplus CAS:57-92-1 KEGG COMPOUND Drug_Central:2481 DrugCentral PMID:11228320 Europe PMC PMID:11905029 Europe PMC PMID:12118520 Europe PMC PMID:13030054 Europe PMC PMID:13116094 Europe PMC PMID:13136149 Europe PMC PMID:13596285 Europe PMC PMID:13691614 Europe PMC PMID:13985260 Europe PMC PMID:13990247 Europe PMC PMID:14623118 Europe PMC PMID:14828344 Europe PMC PMID:14852338 Europe PMC PMID:14939639 Europe PMC PMID:15081082 Europe PMC PMID:15137533 Europe PMC PMID:15207172 Europe PMC PMID:15686853 Europe PMC PMID:15736038 Europe PMC PMID:16904706 Europe PMC PMID:17105735 Europe PMC PMID:17238915 Europe PMC PMID:17429930 Europe PMC PMID:18173084 Europe PMC PMID:18916143 Europe PMC PMID:19052412 Europe PMC PMID:19335957 Europe PMC PMID:21350946 Europe PMC PMID:21362244 Europe PMC PMID:21593257 Europe PMC PMID:21937264 Europe PMC PMID:22101040 Europe PMC Pesticides:streptomycin Alan Wood's Pesticides Reaxys:74498 Reaxys N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine IUPAC STREPTOMYCIN PDBeChem 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside ChemIDplus Kantrex DrugBank SM KEGG_DRUG [2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine} IUPAC streomycin ChEBI streptomycin KEGG_DRUG A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). 0 COR2 28.010 27.99491 [*]C([*])=O CHEBI:13427 CHEBI:13646 CHEBI:24974 CHEBI:6127 CHEBI:8742 KEGG:C01450 Wikipedia:Ketone Ketone ketones chebi_ontology Keton R-CO-R' a ketone cetone ketones CHEBI:17087 ketone Ketone KEGG_COMPOUND ketones IUPAC Keton ChEBI R-CO-R' KEGG_COMPOUND a ketone UniProt cetone ChEBI ketones ChEBI An sn-glycero-3-phosphate compound having a single unspecified acyl group at either position 1 or position 2. CHEBI:13726 CHEBI:22224 CHEBI:2460 KEGG:C03849 chebi_ontology Acyl-sn-glycerol 3-phosphate acyl-sn-glycerol 3-phosphates CHEBI:17088 monoacyl-sn-glycerol 3-phosphate Acyl-sn-glycerol 3-phosphate KEGG_COMPOUND acyl-sn-glycerol 3-phosphates ChEBI A compound in which a carbohydrate component is covalently bound to a protein component. CHEBI:14349 CHEBI:5481 CHEBI:5493 KEGG:C00326 Glycoprotein glycoproteins chebi_ontology Glykoprotein Glykoproteine a glycoprotein glicoproteina glicoproteinas glycoproteine glycoproteines CHEBI:17089 glycoprotein Glycoprotein KEGG_COMPOUND glycoproteins IUPAC Glykoprotein ChEBI Glykoproteine ChEBI a glycoprotein UniProt glicoproteina ChEBI glicoproteinas ChEBI glycoproteine ChEBI glycoproteines ChEBI A benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as a fungicide for citrus crops. biphenyl, diphenyl http://langual.org 0 C12H10 InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H ZUOUZKKEUPVFJK-UHFFFAOYSA-N 154.20780 154.07825 c1ccc(cc1)-c1ccccc1 CHEBI:13909 CHEBI:22887 CHEBI:3113 CHEBI:41238 Beilstein:1634058 CAS:92-52-4 Codex::230 Europe::230 Gmelin:3808 HMDB:HMDB0034437 KEGG:C06588 MetaCyc:BIPHENYL PDBeChem:BNL PMID:21337247 PMID:21575716 PPDB:82 Pesticides:biphenyl Reaxys:1634058 UM-BBD_compID:c0371 Wikipedia:Biphenyl http://www.langual.org/langual_thesaurus.asp?termid=B3016 1,1'-biphenyl Biphenyl biphenyl chebi_ontology 1,1'-Biphenyl 1,1'-Diphenyl E230 Phenylbenzene diphenyl CHEBI:17097 LanguaL term definition: Food additive; technological purpose(s): preservative. biphenyl Beilstein:1634058 Beilstein CAS:92-52-4 ChemIDplus CAS:92-52-4 KEGG COMPOUND CAS:92-52-4 NIST Chemistry WebBook Gmelin:3808 Gmelin PMID:21337247 Europe PMC PMID:21575716 Europe PMC Pesticides:biphenyl Alan Wood's Pesticides Reaxys:1634058 Reaxys UM-BBD_compID:c0371 UM-BBD 1,1'-biphenyl IUPAC Biphenyl KEGG_COMPOUND biphenyl UniProt 1,1'-Biphenyl KEGG_COMPOUND 1,1'-Diphenyl KEGG_COMPOUND E230 ChEBI Phenylbenzene KEGG_COMPOUND A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2). CHEBI:14827 CHEBI:26076 CHEBI:8162 chebi_ontology phosphamide phosphamides phosphoramides CHEBI:17102 phosphoramide phosphamide ChEBI phosphamides ChEBI phosphoramides ChEBI A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). -1 C6H11O2 InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1 FUZZWVXGSFPDMH-UHFFFAOYSA-M 115.15034 115.07645 CCCCCC([O-])=O CHEBI:14398 CHEBI:24569 Beilstein:3601453 CAS:151-33-7 ECMDB:ECMDB21229 Gmelin:326340 KEGG:C01585 MetaCyc:HEXANOATE hexanoate chebi_ontology 1-hexanoate 1-pentacarboxylate 1-pentanecarboxylate CH3-[CH2]4-COO(-) butylacetate caproate capronate hexoate hexylate n-caproate n-hexanoate n-hexoate n-hexylate nPnCO2 anion pentanecarboxylate pentylformate CHEBI:17120 hexanoate Beilstein:3601453 Beilstein CAS:151-33-7 Beilstein Gmelin:326340 Gmelin hexanoate IUPAC hexanoate UniProt 1-hexanoate ChEBI 1-pentacarboxylate ChEBI 1-pentanecarboxylate ChEBI CH3-[CH2]4-COO(-) IUPAC butylacetate ChEBI caproate ChEBI capronate ChEBI hexoate ChEBI hexylate ChEBI n-caproate ChEBI n-hexanoate ChEBI n-hexoate ChEBI n-hexylate ChEBI nPnCO2 anion NIST_Chemistry_WebBook pentanecarboxylate ChEBI pentylformate ChEBI -1 HO3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1 LSNNMFCWUKXFEE-UHFFFAOYSA-M 81.07214 80.96519 OS([O-])=O CHEBI:13367 CHEBI:5598 CAS:15181-46-1 Gmelin:1455 KEGG:C11481 PDBeChem:SO3 hydrogen(trioxidosulfate)(1-) hydrogensulfite(1-) hydrogentrioxosulfate(1-) hydrogentrioxosulfate(IV) hydroxidodioxidosulfate(1-) monohydrogentrioxosulfate chebi_ontology Bisulfite HSO3(-) HSO3- Hydrogen sulfite [SO2(OH)](-) bisulfite bisulphite hydrogen sulfite(1-) hydrosulfite anion CHEBI:17137 hydrogensulfite CAS:15181-46-1 ChemIDplus CAS:15181-46-1 KEGG COMPOUND Gmelin:1455 Gmelin hydrogen(trioxidosulfate)(1-) IUPAC hydrogensulfite(1-) IUPAC hydrogentrioxosulfate(1-) IUPAC hydrogentrioxosulfate(IV) IUPAC hydroxidodioxidosulfate(1-) IUPAC monohydrogentrioxosulfate IUPAC Bisulfite KEGG_COMPOUND HSO3(-) IUPAC HSO3- KEGG_COMPOUND Hydrogen sulfite KEGG_COMPOUND [SO2(OH)](-) IUPAC bisulfite ChemIDplus bisulphite ChemIDplus hydrogen sulfite(1-) ChemIDplus hydrosulfite anion ChemIDplus A four-carbon alkane-alpha,omega-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh. 0 C4H12N2 InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N 88.15150 88.10005 NCCCCN CHEBI:14972 CHEBI:26405 CHEBI:45092 CHEBI:8650 BPDB:1393 Beilstein:605282 CAS:110-60-1 DrugBank:DB01917 ECMDB:ECMDB01414 Gmelin:1715 HMDB:HMDB0001414 KEGG:C00134 KNApSAcK:C00001428 MetaCyc:PUTRESCINE PDBeChem:PUT PMID:12053479 PMID:15453685 PMID:16346523 PMID:18721677 PMID:22735334 PMID:24331418 PMID:24820075 PMID:24864091 Reaxys:605282 Wikipedia:Putrescine YMDB:YMDB00132 Putrescine butane-1,4-diamine chebi_ontology 1,4-Butanediamine 1,4-DIAMINOBUTANE 1,4-butylenediamine 1,4-tetramethylenediamine Butane-1,4-diamine H2N(CH2)4NH2 Putrescin Putreszin Tetramethylendiamin Tetramethylenediamine butylenediamine putrescina CHEBI:17148 putrescine Beilstein:605282 Beilstein CAS:110-60-1 ChemIDplus CAS:110-60-1 KEGG COMPOUND CAS:110-60-1 NIST Chemistry WebBook Gmelin:1715 Gmelin PMID:12053479 Europe PMC PMID:15453685 Europe PMC PMID:16346523 Europe PMC PMID:18721677 Europe PMC PMID:22735334 Europe PMC PMID:24331418 Europe PMC PMID:24820075 Europe PMC PMID:24864091 Europe PMC Reaxys:605282 Reaxys Putrescine KEGG_COMPOUND butane-1,4-diamine IUPAC 1,4-Butanediamine KEGG_COMPOUND 1,4-DIAMINOBUTANE PDBeChem 1,4-butylenediamine ChemIDplus 1,4-tetramethylenediamine NIST_Chemistry_WebBook Butane-1,4-diamine KEGG_COMPOUND H2N(CH2)4NH2 NIST_Chemistry_WebBook Putrescin ChEBI Putreszin ChEBI Tetramethylendiamin ChEBI Tetramethylenediamine KEGG_COMPOUND butylenediamine ChemIDplus putrescina ChEBI An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. 0 C3H6O InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 NBBJYMSMWIIQGU-UHFFFAOYSA-N 58.07910 58.04186 [H]C(=O)CC CHEBI:14898 CHEBI:26281 CHEBI:41359 CHEBI:45052 CHEBI:8468 CAS:123-38-6 HMDB:HMDB0003366 KEGG:C00479 MetaCyc:CPD-665 PDBeChem:CBG PMID:20097366 PMID:21568340 Reaxys:506010 UM-BBD_compID:c0207 Wikipedia:Propanal Propanal propanal propionaldehyde chebi_ontology 1-Propanal Aldehyde propionique C2H5CHO Methylacetaldehyde Propaldehyde Propanaldehyde Propional Propionaldehyde Propionic aldehyde Propyl aldehyde Propylaldehyde Propylic aldehyde n-Propanal n-Propionaldehyde CHEBI:17153 propanal CAS:123-38-6 ChemIDplus CAS:123-38-6 KEGG COMPOUND CAS:123-38-6 NIST Chemistry WebBook PMID:20097366 Europe PMC PMID:21568340 Europe PMC Reaxys:506010 Reaxys UM-BBD_compID:c0207 UM-BBD Propanal KEGG_COMPOUND propanal UniProt propionaldehyde IUPAC 1-Propanal NIST_Chemistry_WebBook Aldehyde propionique ChemIDplus C2H5CHO NIST_Chemistry_WebBook Methylacetaldehyde ChemIDplus Propaldehyde ChemIDplus Propanaldehyde ChemIDplus Propional ChemIDplus Propionaldehyde KEGG_COMPOUND Propionic aldehyde ChemIDplus Propyl aldehyde ChemIDplus Propylaldehyde ChemIDplus Propylic aldehyde ChemIDplus n-Propanal ChemIDplus n-Propionaldehyde NIST_Chemistry_WebBook A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. 0 C6H6N2O InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N 122.12472 122.04801 NC(=O)c1cccnc1 CHEBI:14645 CHEBI:25521 CHEBI:44258 CHEBI:7556 Beilstein:383619 CAS:98-92-0 DrugBank:DB02701 Drug_Central:1906 FooDB:FDB012485 Gmelin:3336 HMDB:HMDB0001406 KEGG:C00153 KEGG:D00036 KNApSAcK:C00000209 LINCS:LSM-5428 MetaCyc:NIACINAMIDE PDBeChem:NCA PMID:10884473 PMID:11355130 PMID:11814060 PMID:12014919 PMID:12487919 PMID:12519385 PMID:12709297 PMID:12782109 PMID:12890690 PMID:14729974 PMID:14757966 PMID:14871431 PMID:15497767 PMID:15563975 PMID:15780941 PMID:15807725 PMID:15834926 PMID:15995937 PMID:16029679 PMID:16209160 PMID:16596767 PMID:16766489 PMID:16871361 PMID:17021258 PMID:17129213 PMID:18234191 PMID:18316796 PMID:18368629 PMID:18373238 PMID:18389009 PMID:18514428 PMID:18930755 PMID:18987186 PMID:19212411 PMID:19539713 PMID:19544437 PMID:2026685 PMID:21503886 PMID:21891976 PMID:21918528 PMID:21926578 PMID:22067079 PMID:22160932 PMID:22207684 PMID:22232263 PMID:22281243 PMID:22359146 PMID:22361740 PMID:22407380 PMID:22456321 PMID:22536229 PMID:22543086 PMID:22626821 PMID:22699421 PMID:22709272 PMID:22763693 PMID:22770225 PMID:23016598 PMID:23028781 PMID:23043891 PMID:23047329 PMID:24027187 PMID:24077178 PMID:24559077 PMID:24635573 PMID:25504347 PMID:25561219 PMID:31710686 PMID:32249824 PMID:33196157 PMID:33471934 PMID:8620561 PMID:8767167 PMID:9518388 Patent:US2904552 Patent:US2993051 Reaxys:383619 Wikipedia:Nicotinamide nicotinamide pyridine-3-carboxamide chebi_ontology 3-carbamoylpyridine 3-pyridinecarboxamide Niacinamide Nicotinamid Nicotinsaeureamid Nikotinamid Nikotinsaeureamid Vitamin PP beta-pyridinecarboxamide m-(aminocarbonyl)pyridine niacin niamide nicotinamida nicotinamide nicotinamidum nicotine acid amide nicotine amide nicotinic acid amide nicotinic amide nicotylamide pyridine-3-carboxylic acid amide vitamin B3 CHEBI:17154 nicotinamide Beilstein:383619 Beilstein CAS:98-92-0 ChemIDplus CAS:98-92-0 KEGG COMPOUND CAS:98-92-0 NIST Chemistry WebBook Drug_Central:1906 DrugCentral Gmelin:3336 Gmelin PMID:10884473 Europe PMC PMID:11355130 Europe PMC PMID:11814060 Europe PMC PMID:12014919 Europe PMC PMID:12487919 Europe PMC PMID:12519385 Europe PMC PMID:12709297 Europe PMC PMID:12782109 Europe PMC PMID:12890690 Europe PMC PMID:14729974 Europe PMC PMID:14757966 Europe PMC PMID:14871431 Europe PMC PMID:15497767 Europe PMC PMID:15563975 Europe PMC PMID:15780941 Europe PMC PMID:15807725 Europe PMC PMID:15834926 Europe PMC PMID:15995937 Europe PMC PMID:16029679 Europe PMC PMID:16209160 Europe PMC PMID:16596767 Europe PMC PMID:16766489 Europe PMC PMID:16871361 Europe PMC PMID:17021258 Europe PMC PMID:17129213 Europe PMC PMID:18234191 Europe PMC PMID:18316796 Europe PMC PMID:18368629 Europe PMC PMID:18373238 Europe PMC PMID:18389009 Europe PMC PMID:18514428 Europe PMC PMID:18930755 Europe PMC PMID:18987186 Europe PMC PMID:19212411 Europe PMC PMID:19539713 Europe PMC PMID:19544437 Europe PMC PMID:2026685 Europe PMC PMID:21503886 Europe PMC PMID:21891976 Europe PMC PMID:21918528 Europe PMC PMID:21926578 Europe PMC PMID:22067079 Europe PMC PMID:22160932 Europe PMC PMID:22207684 Europe PMC PMID:22232263 Europe PMC PMID:22281243 Europe PMC PMID:22359146 Europe PMC PMID:22361740 Europe PMC PMID:22407380 Europe PMC PMID:22456321 Europe PMC PMID:22536229 Europe PMC PMID:22543086 Europe PMC PMID:22626821 Europe PMC PMID:22699421 Europe PMC PMID:22709272 Europe PMC PMID:22763693 Europe PMC PMID:22770225 Europe PMC PMID:23016598 Europe PMC PMID:23028781 Europe PMC PMID:23043891 Europe PMC PMID:23047329 Europe PMC PMID:24027187 Europe PMC PMID:24077178 Europe PMC PMID:24559077 Europe PMC PMID:24635573 Europe PMC PMID:25504347 Europe PMC PMID:25561219 Europe PMC PMID:31710686 Europe PMC PMID:32249824 Europe PMC PMID:33196157 Europe PMC PMID:33471934 Europe PMC PMID:8620561 Europe PMC PMID:8767167 Europe PMC PMID:9518388 Europe PMC Reaxys:383619 Reaxys nicotinamide UniProt pyridine-3-carboxamide IUPAC 3-carbamoylpyridine ChemIDplus 3-pyridinecarboxamide NIST_Chemistry_WebBook Niacinamide KEGG_COMPOUND Nicotinamid ChEBI Nicotinsaeureamid ChEBI Nikotinamid ChemIDplus Nikotinsaeureamid ChEBI Vitamin PP KEGG_COMPOUND beta-pyridinecarboxamide ChemIDplus beta-pyridinecarboxamide NIST_Chemistry_WebBook m-(aminocarbonyl)pyridine ChemIDplus niacin ChEBI niamide ChemIDplus nicotinamida WHO_MedNet nicotinamide WHO_MedNet nicotinamidum WHO_MedNet nicotine acid amide ChemIDplus nicotine amide ChemIDplus nicotinic acid amide ChemIDplus nicotinic amide ChemIDplus nicotylamide ChemIDplus pyridine-3-carboxylic acid amide ChemIDplus vitamin B3 ChemIDplus A 2-oxo aldehyde derived from propanal. 0 C3H4O2 InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 AIJULSRZWUXGPQ-UHFFFAOYSA-N 72.06266 72.02113 [H]C(=O)C(C)=O CHEBI:11643 CHEBI:14599 CHEBI:25303 CHEBI:6875 Beilstein:906750 CAS:78-98-8 KEGG:C00546 KNApSAcK:C00007562 PMID:10373458 PMID:10723098 PMID:11504881 PMID:15520007 PMID:17103372 PMID:19202315 PMID:20096340 PMID:22983866 PMID:23543734 PMID:23845007 PMID:24040205 PMID:24168114 PMID:26861824 PMID:9506998 Reaxys:906750 Wikipedia:Methylglyoxal 2-oxopropanal Methylglyoxal methylglyoxal chebi_ontology 1,2-propanedione 2-Ketopropionaldehyde 2-Oxopropanal 2-oxopropionaldehyde CH3COCHO Pyruvaldehyde Pyruvic aldehyde acetylformaldehyde acetylformyl alpha-ketopropionaldehyde CHEBI:17158 methylglyoxal Beilstein:906750 Beilstein CAS:78-98-8 ChemIDplus CAS:78-98-8 KEGG COMPOUND CAS:78-98-8 NIST Chemistry WebBook PMID:10373458 Europe PMC PMID:10723098 Europe PMC PMID:11504881 Europe PMC PMID:15520007 Europe PMC PMID:17103372 Europe PMC PMID:19202315 Europe PMC PMID:20096340 Europe PMC PMID:22983866 Europe PMC PMID:23543734 Europe PMC PMID:23845007 Europe PMC PMID:24040205 Europe PMC PMID:24168114 Europe PMC PMID:26861824 Europe PMC PMID:9506998 Europe PMC Reaxys:906750 Reaxys 2-oxopropanal IUPAC Methylglyoxal KEGG_COMPOUND methylglyoxal UniProt 1,2-propanedione NIST_Chemistry_WebBook 2-Ketopropionaldehyde KEGG_COMPOUND 2-Oxopropanal KEGG_COMPOUND 2-oxopropionaldehyde ChemIDplus CH3COCHO NIST_Chemistry_WebBook Pyruvaldehyde KEGG_COMPOUND Pyruvic aldehyde KEGG_COMPOUND acetylformaldehyde ChemIDplus acetylformyl NIST_Chemistry_WebBook alpha-ketopropionaldehyde NIST_Chemistry_WebBook An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae. chebi_ontology amebicide amebicides amoebicide amoebicides anti-amoebic agent anti-amoebic agents anti-amoebic drug anti-amoebic drugs antiamoebic antiamoebic agents antiamoebic drug antiamoebic drugs antiamoebics CHEBI:171664 antiamoebic agent amebicide ChEBI amebicides ChEBI amoebicide ChEBI amoebicides ChEBI anti-amoebic agent ChEBI anti-amoebic agents ChEBI anti-amoebic drug ChEBI anti-amoebic drugs ChEBI antiamoebic ChEBI antiamoebic agents ChEBI antiamoebic drug ChEBI antiamoebic drugs ChEBI antiamoebics ChEBI A secondary aliphatic amine where both N-substituents are methyl. 0 C2H7N InChI=1S/C2H7N/c1-3-2/h3H,1-2H3 ROSDSFDQCJNGOL-UHFFFAOYSA-N 45.08372 45.05785 [H]N(C)C CHEBI:14170 CHEBI:23805 CHEBI:42136 CHEBI:4618 Beilstein:605257 CAS:124-40-3 Gmelin:849 HMDB:HMDB0000087 KEGG:C00543 MetaCyc:DIMETHYLAMINE PDBeChem:DMN PMID:17190852 PMID:18282650 PMID:22074457 Reaxys:605257 Wikipedia:Dimethylamine DIMETHYLAMINE Dimethylamine N-methylmethanamine chebi_ontology DMA HNMe2 Me2NH N,N-Dimethylamine N,N-dimethylamine CHEBI:17170 dimethylamine Beilstein:605257 Beilstein CAS:124-40-3 ChemIDplus CAS:124-40-3 KEGG COMPOUND CAS:124-40-3 NIST Chemistry WebBook Gmelin:849 Gmelin PMID:17190852 Europe PMC PMID:18282650 Europe PMC PMID:22074457 Europe PMC Reaxys:605257 Reaxys DIMETHYLAMINE PDBeChem Dimethylamine KEGG_COMPOUND N-methylmethanamine IUPAC DMA ChEBI HNMe2 ChEBI Me2NH ChEBI N,N-Dimethylamine HMDB N,N-dimethylamine NIST_Chemistry_WebBook 0 C10H16 136.234 136.12520 CHEBI:14839 CHEBI:26134 CHEBI:8215 KEGG:C06077 Pinene pinene chebi_ontology CHEBI:17187 pinene Pinene KEGG_COMPOUND pinene UniProt 0 C5H10O7PR 213.103 213.01641 O[C@H]1[C@H]([*])O[C@H](COP(O)(O)=O)[C@H]1O CHEBI:14676 CHEBI:25607 CHEBI:7439 CHEBI:7653 CHEBI:7654 KEGG:C01329 KEGG:C02520 chebi_ontology NMP Nucleoside monophosphate Nucleoside phosphate nucleoside monophosphate nucleoside monophosphates CHEBI:17188 nucleoside 5'-monophosphate NMP KEGG_COMPOUND Nucleoside monophosphate KEGG_COMPOUND Nucleoside phosphate KEGG_COMPOUND nucleoside monophosphate ChEBI nucleoside monophosphates ChEBI A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. 0 C7H3Br2NO InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H UPMXNNIRAGDFEH-UHFFFAOYSA-N 276.91286 274.85814 Oc1c(Br)cc(cc1Br)C#N CHEBI:11706 CHEBI:1396 CHEBI:19898 Beilstein:2364039 CAS:1689-84-5 Gmelin:1473439 KEGG:C04178 PMID:11910467 PMID:24458090 PPDB:96 Pesticides:bromoxynil UM-BBD_compID:c0480 Wikipedia:Bromoxynil 3,5-Dibromo-4-hydroxybenzonitrile 3,5-dibromo-4-hydroxybenzonitrile chebi_ontology 2,6-dibromo-4-cyanophenol bromoxynil CHEBI:17192 3,5-dibromo-4-hydroxybenzonitrile Beilstein:2364039 ChemIDplus CAS:1689-84-5 ChemIDplus CAS:1689-84-5 KEGG COMPOUND CAS:1689-84-5 NIST Chemistry WebBook Gmelin:1473439 Gmelin PMID:11910467 Europe PMC PMID:24458090 Europe PMC Pesticides:bromoxynil Alan Wood's Pesticides UM-BBD_compID:c0480 UM-BBD 3,5-Dibromo-4-hydroxybenzonitrile KEGG_COMPOUND 3,5-dibromo-4-hydroxybenzonitrile IUPAC 2,6-dibromo-4-cyanophenol NIST_Chemistry_WebBook bromoxynil ChemIDplus A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom. 0 CH2BrCl InChI=1S/CH2BrCl/c2-1-3/h1H2 JPOXNPPZZKNXOV-UHFFFAOYSA-N 129.38328 127.90284 ClCBr CHEBI:13919 CHEBI:22932 CHEBI:3180 Beilstein:1730801 CAS:74-97-5 Gmelin:25577 KEGG:C02661 MetaCyc:CPD-614 PMID:19243639 PMID:22719758 PMID:23638678 Reaxys:1730801 Wikipedia:Bromochloromethane Bromochloromethane bromo(chloro)methane bromochloromethane chebi_ontology Methylene chlorobromide chlorobromomethane chloromethyl bromide monochloromonobromomethane CHEBI:17194 bromochloromethane Beilstein:1730801 Beilstein CAS:74-97-5 ChemIDplus CAS:74-97-5 KEGG COMPOUND CAS:74-97-5 NIST Chemistry WebBook Gmelin:25577 Gmelin PMID:19243639 Europe PMC PMID:22719758 Europe PMC PMID:23638678 Europe PMC Reaxys:1730801 Reaxys Bromochloromethane KEGG_COMPOUND bromo(chloro)methane IUPAC bromochloromethane UniProt Methylene chlorobromide KEGG_COMPOUND chlorobromomethane NIST_Chemistry_WebBook chloromethyl bromide ChemIDplus monochloromonobromomethane NIST_Chemistry_WebBook Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N 115.13050 115.06333 OC(=O)[C@@H]1CCCN1 CHEBI:13154 CHEBI:184637 CHEBI:21373 CHEBI:42067 CHEBI:45040 CHEBI:45100 CHEBI:45159 CHEBI:6286 Beilstein:80810 CAS:147-85-3 DrugBank:DB00172 Drug_Central:4125 Gmelin:50152 HMDB:HMDB0000162 KEGG:C00148 KEGG:D00035 KNApSAcK:C00001388 MetaCyc:PRO PDBeChem:PRO PMID:11076505 PMID:12770004 PMID:14975886 PMID:15576824 PMID:15838615 PMID:15894682 PMID:15973048 PMID:16033917 PMID:16190672 PMID:16501220 PMID:16656443 PMID:16657874 PMID:16668324 PMID:17127472 PMID:17608428 PMID:18551589 PMID:18802692 PMID:18973300 PMID:19215998 PMID:19580280 PMID:19656302 PMID:19688381 PMID:19811425 PMID:22139509 PMID:22201772 PMID:22451406 PMID:22475019 PMID:22482728 PMID:22491679 PMID:22770225 Reaxys:80810 Wikipedia:L-proline L-Proline L-proline chebi_ontology (-)-(S)-proline (-)-2-pyrrolidinecarboxylic acid (-)-proline (2S)-pyrrolidine-2-carboxylic acid (S)-2-carboxypyrrolidine (S)-2-pyrrolidinecarboxylic acid (S)-pyrrolidine-2-carboxylic acid 2-Pyrrolidinecarboxylic acid L-(-)-proline L-Prolin L-alpha-pyrrolidinecarboxylic acid L-pyrrolidine-2-carboxylic acid P PROLINE prolina proline prolinum CHEBI:17203 L-proline Beilstein:80810 Beilstein CAS:147-85-3 ChemIDplus CAS:147-85-3 KEGG COMPOUND CAS:147-85-3 NIST Chemistry WebBook Drug_Central:4125 DrugCentral Gmelin:50152 Gmelin PMID:11076505 Europe PMC PMID:12770004 Europe PMC PMID:14975886 Europe PMC PMID:15576824 Europe PMC PMID:15838615 Europe PMC PMID:15894682 Europe PMC PMID:15973048 Europe PMC PMID:16033917 Europe PMC PMID:16190672 Europe PMC PMID:16501220 Europe PMC PMID:16656443 Europe PMC PMID:16657874 Europe PMC PMID:16668324 Europe PMC PMID:17127472 Europe PMC PMID:17608428 Europe PMC PMID:18551589 Europe PMC PMID:18802692 Europe PMC PMID:18973300 Europe PMC PMID:19215998 Europe PMC PMID:19580280 Europe PMC PMID:19656302 Europe PMC PMID:19688381 Europe PMC PMID:19811425 Europe PMC PMID:22139509 Europe PMC PMID:22201772 Europe PMC PMID:22451406 Europe PMC PMID:22475019 Europe PMC PMID:22482728 Europe PMC PMID:22491679 Europe PMC PMID:22770225 Europe PMC Reaxys:80810 Reaxys L-Proline KEGG_COMPOUND L-proline IUPAC (-)-(S)-proline NIST_Chemistry_WebBook (-)-2-pyrrolidinecarboxylic acid ChemIDplus (-)-proline ChemIDplus (2S)-pyrrolidine-2-carboxylic acid IUPAC (S)-2-carboxypyrrolidine DrugBank (S)-2-pyrrolidinecarboxylic acid ChemIDplus (S)-pyrrolidine-2-carboxylic acid ChEBI 2-Pyrrolidinecarboxylic acid KEGG_COMPOUND L-(-)-proline NIST_Chemistry_WebBook L-Prolin ChEBI L-alpha-pyrrolidinecarboxylic acid ChemIDplus L-pyrrolidine-2-carboxylic acid ChemIDplus P ChEBI PROLINE PDBeChem prolina ChemIDplus proline ChemIDplus prolinum ChemIDplus A butenoic acid having the double bond at position C-2. 0 C4H6O2 InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6) LDHQCZJRKDOVOX-UHFFFAOYSA-N 86.08924 86.03678 [H]C(C)=CC(O)=O CHEBI:1027 CHEBI:19484 CHEBI:19485 Beilstein:1098434 CAS:3724-65-0 Gmelin:324286 KEGG:C01771 Reaxys:1098434 2-Butenoic acid but-2-enoic acid chebi_ontology 2-Butenoate 2-butenic acid 3-methylacrylic acid CTA Crotonic acid Crotonsaeure acide crotonique alpha-butenoic acid alpha-crotonic acid beta-methacrylic acid beta-methylacrylic acid CHEBI:17217 2-butenoic acid Beilstein:1098434 Beilstein CAS:3724-65-0 ChemIDplus CAS:3724-65-0 KEGG COMPOUND Gmelin:324286 Gmelin Reaxys:1098434 Reaxys 2-Butenoic acid KEGG_COMPOUND but-2-enoic acid IUPAC 2-Butenoate KEGG_COMPOUND 2-butenic acid ChEBI 3-methylacrylic acid ChemIDplus CTA ChEBI Crotonic acid KEGG_COMPOUND Crotonsaeure ChEBI acide crotonique ChEBI alpha-butenoic acid ChemIDplus alpha-crotonic acid ChemIDplus beta-methacrylic acid ChemIDplus beta-methylacrylic acid ChemIDplus Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6. 0 C19H29OR 273.434 273.22184 C12C(C3C(C(CC3)*)(C)CC1)CC=C4C2(CC[C@@H](C4)O)C CHEBI:13608 CHEBI:136845 CHEBI:20245 KEGG:C03836 MetaCyc:3b-hydroxy-D5-steroids chebi_ontology 3beta-hydroxy Delta(5)-steroids 3beta-hydroxy-Delta(5)-steroids a 3beta-hydroxy-Delta(5)-steroid CHEBI:1722 3beta-hydroxy-Delta(5)-steroid 3beta-hydroxy Delta(5)-steroids ChEBI 3beta-hydroxy-Delta(5)-steroids ChEBI a 3beta-hydroxy-Delta(5)-steroid UniProt A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. 0 C7H8O InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 RLSSMJSEOOYNOY-UHFFFAOYSA-N 108.13780 108.05751 Cc1cccc(O)c1 CHEBI:11771 CHEBI:1476 CHEBI:19988 CHEBI:41602 Beilstein:506719 CAS:108-39-4 DrugBank:DB01776 Gmelin:101411 HMDB:HMDB0002048 KEGG:C01467 KEGG:D04951 MetaCyc:CPD-112 PDBeChem:CRS PMID:15687000 PMID:23190556 Reaxys:506719 UM-BBD_compID:c0282 Wikipedia:M-cresol 3-methylphenol M-CRESOL m-Cresol chebi_ontology 1-hydroxy-3-methylbenzene 3-Cresol 3-Hydroxytoluene 3-methylphenol m-Kresol m-methylphenol meta-cresol metacresol CHEBI:17231 m-cresol Beilstein:506719 Beilstein CAS:108-39-4 ChemIDplus CAS:108-39-4 KEGG COMPOUND CAS:108-39-4 NIST Chemistry WebBook Gmelin:101411 Gmelin PMID:15687000 Europe PMC PMID:23190556 Europe PMC Reaxys:506719 Reaxys UM-BBD_compID:c0282 UM-BBD 3-methylphenol IUPAC M-CRESOL PDBeChem m-Cresol KEGG_COMPOUND 1-hydroxy-3-methylbenzene NIST_Chemistry_WebBook 3-Cresol KEGG_COMPOUND 3-Hydroxytoluene KEGG_COMPOUND 3-methylphenol UniProt m-Kresol NIST_Chemistry_WebBook m-methylphenol NIST_Chemistry_WebBook meta-cresol NIST_Chemistry_WebBook metacresol ChemIDplus An aldohexose used as a source of energy and metabolic intermediate. 0 C6H12O6 180.15588 180.06339 CHEBI:14313 CHEBI:24277 CHEBI:33929 CHEBI:5418 CAS:50-99-7 KEGG:C00293 Wikipedia:Glucose Glucose gluco-hexose glucose chebi_ontology DL-glucose Glc Glukose CHEBI:17234 glucose glucose CAS:50-99-7 KEGG COMPOUND Glucose KEGG_COMPOUND gluco-hexose IUPAC glucose IUPAC DL-glucose ChEBI Glc JCBN Glukose ChEBI Any organobromine compound that is used as a flame retardant. These chemicals are widely incorporated as additives in consumer products such as electronics, vehicles, polyurethane foams etc, to make them less flammable. PMID:31797015 PMID:31931892 PMID:32588303 PMID:32990159 PMID:33218769 PMID:33252648 PMID:33265051 PMID:33297226 PMID:33310513 PMID:33378998 PMID:33406001 PMID:33427269 PMID:33592444 PMID:33736204 PMID:33773338 PMID:33778359 PMID:33837942 PMID:33857880 Wikipedia:Brominated_flame_retardant chebi_ontology BFR BFRs brominated flame retardants CHEBI:172368 brominated flame retardant PMID:31797015 Europe PMC PMID:31931892 Europe PMC PMID:32588303 Europe PMC PMID:32990159 Europe PMC PMID:33218769 Europe PMC PMID:33252648 Europe PMC PMID:33265051 Europe PMC PMID:33297226 Europe PMC PMID:33310513 Europe PMC PMID:33378998 Europe PMC PMID:33406001 Europe PMC PMID:33427269 Europe PMC PMID:33592444 Europe PMC PMID:33736204 Europe PMC PMID:33773338 Europe PMC PMID:33778359 Europe PMC PMID:33837942 Europe PMC PMID:33857880 Europe PMC BFR ChEBI BFRs ChEBI brominated flame retardants ChEBI A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics. PMID:28650840 PMID:29536623 PMID:30471335 PMID:31518935 PMID:32172156 Wikipedia:Glycol_ethers chebi_ontology glycol ethers CHEBI:172390 glycol ether PMID:28650840 Europe PMC PMID:29536623 Europe PMC PMID:30471335 Europe PMC PMID:31518935 Europe PMC PMID:32172156 Europe PMC glycol ethers ChEBI A perfluorinated compound in which the carbon chain atoms are completely fluorinated. Wikipedia:Per-_and_polyfluoroalkyl_substances chebi_ontology PFAS perfluorinated alkylated substance perfluorinated alkylated substances perfluoroalkyl compound perfluoroalkyl compounds perfluoroalkyl substances CHEBI:172397 perfluoroalkyl substance PFAS ChEBI perfluorinated alkylated substance ChEBI perfluorinated alkylated substances ChEBI perfluoroalkyl compound ChEBI perfluoroalkyl compounds ChEBI perfluoroalkyl substances ChEBI An organofluorine compound that has multiple fluorine atoms attached to an alkyl chain (but atleast one of the carbon atoms in the chain is not fully fluorinated). Wikipedia:Per-_and_polyfluoroalkyl_substances chebi_ontology PFAS polyfluoroalkyl substances CHEBI:172406 polyfluoroalkyl substance PFAS ChEBI polyfluoroalkyl substances ChEBI The 1H-tautomer of pyrazole. 0 C3H4N2 InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) WTKZEGDFNFYCGP-UHFFFAOYSA-N 68.07734 68.03745 c1cn[nH]c1 CHEBI:26408 CHEBI:45151 CHEBI:8658 Beilstein:103775 CAS:288-13-1 DrugBank:DB02757 Gmelin:1360 KEGG:C00481 PDBeChem:PZO Reaxys:103775 1H-pyrazole chebi_ontology 1,2-Diazole 1H-Pyrazol Hpz PYRAZOLE Pyrazole pyrazole CHEBI:17241 1H-pyrazole Beilstein:103775 Beilstein CAS:288-13-1 ChemIDplus CAS:288-13-1 KEGG COMPOUND CAS:288-13-1 NIST Chemistry WebBook Gmelin:1360 Gmelin Reaxys:103775 Reaxys 1H-pyrazole IUPAC 1,2-Diazole KEGG_COMPOUND 1H-Pyrazol ChEBI Hpz IUPAC PYRAZOLE PDBeChem Pyrazole KEGG_COMPOUND pyrazole UniProt A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. 0 CO InChI=1S/CO/c1-2 UGFAIRIUMAVXCW-UHFFFAOYSA-N 28.01010 27.99491 [C-]#[O+] CHEBI:13281 CHEBI:23013 CHEBI:3282 CHEBI:41526 Beilstein:1900508 Beilstein:3535285 Beilstein:3587264 CAS:630-08-0 Gmelin:421 HMDB:HMDB0001361 KEGG:C00237 KEGG:D09706 MetaCyc:CARBON-MONOXIDE MolBase:753 PDBeChem:CMO PMID:10085152 PMID:10679539 PMID:11572959 PMID:14527438 PMID:14563665 PMID:15127883 PMID:15598489 PMID:16371440 PMID:16520836 PMID:17041734 PMID:18094356 PMID:19909254 PMID:23762709 PMID:7022476 PMID:8240252 PMID:8620577 UM-BBD_compID:c0369 Wikipedia:Carbon_monoxide CARBON MONOXIDE Carbon monoxide carbon monooxide carbon monoxide carbon(II) oxide chebi_ontology C#O CO [CO] CHEBI:17245 carbon monoxide Beilstein:1900508 Beilstein Beilstein:3535285 Beilstein Beilstein:3587264 Beilstein CAS:630-08-0 ChemIDplus CAS:630-08-0 KEGG COMPOUND CAS:630-08-0 NIST Chemistry WebBook Gmelin:421 Gmelin PMID:10085152 Europe PMC PMID:10679539 Europe PMC PMID:11572959 Europe PMC PMID:14527438 Europe PMC PMID:14563665 Europe PMC PMID:15127883 Europe PMC PMID:15598489 Europe PMC PMID:16371440 Europe PMC PMID:16520836 Europe PMC PMID:17041734 Europe PMC PMID:18094356 Europe PMC PMID:19909254 Europe PMC PMID:23762709 Europe PMC PMID:7022476 Europe PMC PMID:8240252 Europe PMC PMID:8620577 Europe PMC UM-BBD_compID:c0369 UM-BBD CARBON MONOXIDE PDBeChem Carbon monoxide KEGG_COMPOUND carbon monooxide IUPAC carbon monoxide IUPAC carbon(II) oxide IUPAC C#O ChEBI CO KEGG_COMPOUND CO UniProt [CO] MolBase The 7H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11222 120.04360 c1ncc2[nH]cnc2n1 CHEBI:14968 CHEBI:8639 Beilstein:3200 Gmelin:601779 HMDB:HMDB0001366 KEGG:C15587 Reaxys:3200 7H-purine chebi_ontology Purine Purine base CHEBI:17258 7H-purine Beilstein:3200 Beilstein Gmelin:601779 Gmelin Reaxys:3200 Reaxys 7H-purine IUPAC Purine KEGG_COMPOUND Purine base KEGG_COMPOUND A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17. 0 C18H22O2 InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 DNXHEGUUPJUMQT-CBZIJGRNSA-N 270.36608 270.16198 [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHEBI:14220 CHEBI:23971 CHEBI:4870 Beilstein:1915077 CAS:53-16-7 DrugBank:DB00655 Drug_Central:3188 Gmelin:542591 HMDB:HMDB0000145 KEGG:C00468 KEGG:D00067 KNApSAcK:C00003663 LINCS:LSM-3837 LIPID_MAPS_instance:LMST02010004 PDBeChem:J3Z PMID:11786692 PMID:13908815 PMID:15784278 PMID:17447557 PMID:19610377 PMID:23647561 PMID:24390165 PMID:24398390 Patent:FR1305992 Patent:US1967350 Patent:US1967351 Reaxys:1915077 Wikipedia:Estrone 3-hydroxyestra-1,3,5(10)-trien-17-one Estrone estrone chebi_ontology 3-Hydroxy-1,3,5(10)-estratrien-17-one estrone follicular hormone folliculin oestrone CHEBI:17263 estrone Beilstein:1915077 ChemIDplus CAS:53-16-7 ChemIDplus CAS:53-16-7 KEGG COMPOUND CAS:53-16-7 NIST Chemistry WebBook Drug_Central:3188 DrugCentral Gmelin:542591 Gmelin LIPID_MAPS_instance:LMST02010004 LIPID MAPS PMID:11786692 Europe PMC PMID:13908815 Europe PMC PMID:15784278 Europe PMC PMID:17447557 Europe PMC PMID:19610377 Europe PMC PMID:23647561 Europe PMC PMID:24390165 Europe PMC PMID:24398390 Europe PMC Reaxys:1915077 Reaxys 3-hydroxyestra-1,3,5(10)-trien-17-one IUPAC Estrone KEGG_COMPOUND estrone UniProt 3-Hydroxy-1,3,5(10)-estratrien-17-one KEGG_COMPOUND estrone DrugBank follicular hormone NIST_Chemistry_WebBook folliculin NIST_Chemistry_WebBook oestrone NIST_Chemistry_WebBook The conjugate base of propionic acid; a key precursor in lipid biosynthesis. -1 C3H5O2 InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1 XBDQKXXYIPTUBI-UHFFFAOYSA-M 73.07060 73.02950 CCC([O-])=O CHEBI:14903 CHEBI:26290 Beilstein:3587503 CAS:72-03-7 Gmelin:1820 KEGG:C00163 PMID:17951291 PMID:18375549 PMID:2647392 UM-BBD_compID:c0277 propanoate propionate chebi_ontology CH3-CH2-COO(-) EtCO2 anion carboxylatoethane ethanecarboxylate ethylformate metacetonate methylacetate propanate propanoate propanoic acid, ion(1-) pseudoacetate CHEBI:17272 propionate UM-BBD_compID:c0277 UM-BBD propanoate IUPAC propionate IUPAC CH3-CH2-COO(-) IUPAC EtCO2 anion NIST_Chemistry_WebBook carboxylatoethane ChEBI ethanecarboxylate ChEBI ethylformate ChEBI metacetonate ChEBI methylacetate ChEBI propanate ChEBI propanoate UniProt propanoic acid, ion(1-) ChemIDplus pseudoacetate ChEBI Beilstein:3587503 Beilstein CAS:72-03-7 ChemIDplus CAS:72-03-7 NIST Chemistry WebBook Gmelin:1820 Gmelin PMID:17951291 Europe PMC PMID:18375549 Europe PMC PMID:2647392 Europe PMC The L-enantiomer of phenylalanine. 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 COLNVLDHVKWLRT-QMMMGPOBSA-N 165.18918 165.07898 N[C@@H](Cc1ccccc1)C(O)=O CHEBI:13151 CHEBI:21370 CHEBI:44851 CHEBI:44885 CHEBI:45079 CHEBI:6282 Beilstein:1910408 CAS:63-91-2 DrugBank:DB00120 Drug_Central:2144 ECMDB:ECMDB00159 Gmelin:50837 HMDB:HMDB0000159 KEGG:C00079 KEGG:D00021 KNApSAcK:C00001386 MetaCyc:PHE PDBeChem:PHE PMID:13945318 PMID:16893175 PMID:17784858 PMID:21203787 PMID:21956539 PMID:22081386 PMID:22112574 PMID:22143120 PMID:22209218 PMID:22494897 PMID:23836015 PMID:24464217 PMID:24733517 PMID:24966042 Reaxys:1910408 Wikipedia:Phenylalanine YMDB:YMDB00304 (2S)-2-amino-3-phenylpropanoic acid L-Phenylalanine L-phenylalanine chebi_ontology (S)-2-Amino-3-phenylpropionic acid (S)-alpha-Amino-beta-phenylpropionic acid 3-phenyl-L-alanine F PHENYLALANINE Phe beta-phenyl-L-alanine CHEBI:17295 L-phenylalanine Beilstein:1910408 Beilstein CAS:63-91-2 ChemIDplus CAS:63-91-2 KEGG COMPOUND CAS:63-91-2 NIST Chemistry WebBook Drug_Central:2144 DrugCentral Gmelin:50837 Gmelin PMID:13945318 Europe PMC PMID:16893175 Europe PMC PMID:17784858 Europe PMC PMID:21203787 Europe PMC PMID:21956539 Europe PMC PMID:22081386 Europe PMC PMID:22112574 Europe PMC PMID:22143120 Europe PMC PMID:22209218 Europe PMC PMID:22494897 Europe PMC PMID:23836015 Europe PMC PMID:24464217 Europe PMC PMID:24733517 Europe PMC PMID:24966042 Europe PMC Reaxys:1910408 Reaxys (2S)-2-amino-3-phenylpropanoic acid IUPAC L-Phenylalanine KEGG_COMPOUND L-phenylalanine IUPAC (S)-2-Amino-3-phenylpropionic acid HMDB (S)-alpha-Amino-beta-phenylpropionic acid KEGG_COMPOUND 3-phenyl-L-alanine NIST_Chemistry_WebBook F ChEBI PHENYLALANINE PDBeChem Phe ChEBI beta-phenyl-L-alanine NIST_Chemistry_WebBook A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. 0 C6H7N InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 PAYRUJLWNCNPSJ-UHFFFAOYSA-N 93.12650 93.05785 Nc1ccccc1 CHEBI:13834 CHEBI:22561 CHEBI:2732 CHEBI:40796 Beilstein:605631 CAS:62-53-3 DrugBank:DB06728 Gmelin:2796 HMDB:HMDB0003012 KEGG:C00292 MetaCyc:ANILINE PDBeChem:ANL PMID:11304127 PMID:17135213 PMID:23821252 PMID:3779628 PMID:6205897 Reaxys:605631 Wikipedia:Aniline ANILINE Aniline aniline chebi_ontology Anilin Benzenamine Phenylamine aminobenzene aminophen benzeneamine kyanol CHEBI:17296 aniline Beilstein:605631 Beilstein CAS:62-53-3 ChemIDplus CAS:62-53-3 KEGG COMPOUND CAS:62-53-3 NIST Chemistry WebBook Gmelin:2796 Gmelin PMID:11304127 Europe PMC PMID:17135213 Europe PMC PMID:23821252 Europe PMC PMID:3779628 Europe PMC PMID:6205897 Europe PMC Reaxys:605631 Reaxys ANILINE PDBeChem Aniline KEGG_COMPOUND aniline IUPAC aniline UniProt Anilin NIST_Chemistry_WebBook Benzenamine KEGG_COMPOUND Phenylamine KEGG_COMPOUND aminobenzene ChemIDplus aminophen ChemIDplus benzeneamine NIST_Chemistry_WebBook kyanol NIST_Chemistry_WebBook A chlorocarbon that is tetrachloro substituted ethene. 0 C2Cl4 InChI=1S/C2Cl4/c3-1(4)2(5)6 CYTYCFOTNPOANT-UHFFFAOYSA-N 165.83220 163.87541 ClC(Cl)=C(Cl)Cl CHEBI:15216 CHEBI:26890 CHEBI:9471 Beilstein:1304635 CAS:127-18-4 Drug_Central:3587 Gmelin:101142 HMDB:HMDB0041980 KEGG:C06789 LINCS:LSM-37168 MetaCyc:TETRACHLOROETHENE PMID:23416178 PMID:23466729 PMID:25042713 PMID:25605280 PMID:25690329 Reaxys:1304635 UM-BBD_compID:c0004 Wikipedia:Tetrachloroethene Tetrachloroethene tetrachloroethene chebi_ontology 1,1,2,2-tetrachloroethylene PCE PERC PERK Perchloroethylene Tetrachloraethen ethylene tetrachloride perchloroethylene tetrachlorethylene tetrachloroethylene CHEBI:17300 tetrachloroethene Beilstein:1304635 Beilstein CAS:127-18-4 ChemIDplus CAS:127-18-4 KEGG COMPOUND CAS:127-18-4 NIST Chemistry WebBook Drug_Central:3587 DrugCentral Gmelin:101142 Gmelin PMID:23416178 Europe PMC PMID:23466729 Europe PMC PMID:25042713 Europe PMC PMID:25605280 Europe PMC PMID:25690329 Europe PMC Reaxys:1304635 Reaxys UM-BBD_compID:c0004 UM-BBD Tetrachloroethene KEGG_COMPOUND tetrachloroethene IUPAC tetrachloroethene UniProt 1,1,2,2-tetrachloroethylene UM-BBD PCE KEGG_COMPOUND PERC NIST_Chemistry_WebBook PERK ChemIDplus Perchloroethylene KEGG_COMPOUND Tetrachloraethen ChEBI ethylene tetrachloride ChemIDplus perchloroethylene ChEBI tetrachlorethylene ChemIDplus tetrachloroethylene ChEBI tetrachloroethylene ChemIDplus A morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for addiction, with tolerance and both physical and psychological dependence developing rapidly. Morphine is the most abundant opiate found in Papaver somniferum (the opium poppy). 0 C17H19NO3 InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N 285.33770 285.13649 [H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45 CHEBI:14622 CHEBI:25419 CHEBI:44202 CHEBI:7001 Beilstein:93704 CAS:57-27-2 DrugBank:DB00295 Drug_Central:1845 KEGG:C01516 KEGG:D08233 KNApSAcK:C00001889 MetaCyc:MORPHINE PDB:1Q0Y PDBeChem:MOI PMID:12593758 PMID:15019787 PMID:17171884 PMID:17667569 PMID:19371311 PMID:20071451 PMID:21061062 PMID:23292329 PMID:23325235 PMID:23555556 PMID:23927484 PMID:23988259 PMID:24096538 PMID:24306419 PMID:27735107 PMID:27815868 PMID:27866460 PMID:29368335 PMID:9231550 Reaxys:93704 VSDB:2982 Wikipedia:Morphine 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol Morphine chebi_ontology (-)-morphine (5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL Morphia Morphin morfina morphinum morphium CHEBI:17303 morphine Beilstein:93704 Beilstein Beilstein:93704 Beilstein CAS:57-27-2 ChemIDplus CAS:57-27-2 KEGG COMPOUND CAS:57-27-2 NIST Chemistry WebBook CAS:57-27-2 ChemIDplus CAS:57-27-2 KEGG COMPOUND CAS:57-27-2 NIST Chemistry WebBook Drug_Central:1845 DrugCentral Drug_Central:1845 DrugCentral PMID:12593758 Europe PMC PMID:12593758 Europe PMC PMID:15019787 Europe PMC PMID:15019787 Europe PMC PMID:17171884 Europe PMC PMID:17171884 Europe PMC PMID:17667569 Europe PMC PMID:17667569 Europe PMC PMID:19371311 Europe PMC PMID:19371311 Europe PMC PMID:20071451 Europe PMC PMID:20071451 Europe PMC PMID:21061062 Europe PMC PMID:23292329 Europe PMC PMID:23292329 Europe PMC PMID:23325235 Europe PMC PMID:23325235 Europe PMC PMID:23555556 Europe PMC PMID:23555556 Europe PMC PMID:23927484 Europe PMC PMID:23927484 Europe PMC PMID:23988259 Europe PMC PMID:23988259 Europe PMC PMID:24096538 Europe PMC PMID:24096538 Europe PMC PMID:24306419 Europe PMC PMID:24306419 Europe PMC PMID:27735107 Europe PMC PMID:27735107 Europe PMC PMID:27815868 Europe PMC PMID:27815868 Europe PMC PMID:27866460 Europe PMC PMID:27866460 Europe PMC PMID:29368335 Europe PMC PMID:29368335 Europe PMC PMID:9231550 Europe PMC PMID:9231550 Europe PMC Reaxys:93704 Reaxys Reaxys:93704 Reaxys 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol IUPAC Morphine KEGG_COMPOUND (-)-morphine ChemIDplus (5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol ChemIDplus (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol ChEBI (5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol NIST_Chemistry_WebBook (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL PDBeChem Morphia ChemIDplus Morphin ChemIDplus morfina ChEBI morphinum ChemIDplus morphium ChemIDplus A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage. maltose http://langual.org 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1 GUBGYTABKSRVRQ-PICCSMPSSA-N 342.29648 342.11621 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:14568 CHEBI:25144 CHEBI:6668 Beilstein:1292747 CAS:69-79-4 DrugBank:DB03323 KEGG:C00208 KEGG:D00044 KEGG:G00275 KNApSAcK:C00001140 PMID:16332759 PMID:17723085 PMID:22094343 PMID:22185612 PMID:22246222 PMID:22252265 PMID:22411612 PMID:22424089 PMID:22451670 PMID:22469630 PMID:22529943 PMID:22573161 PMID:22669197 Reaxys:1292747 Wikipedia:Maltose http://www.langual.org/langual_thesaurus.asp?termid=C0206 Maltose alpha-D-glucopyranosyl-(1->4)-D-glucopyranose alpha-D-glucopyranosyl-(1->4)-D-glucose chebi_ontology 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose 4-(alpha-D-glucopyranosido)-alpha-glucopyranose 4-(alpha-D-glucosido)-D-glucose 4-O-alpha-D-glucopyranosyl-D-glucopyranose 4-O-alpha-D-glucopyranosyl-D-glucose Cextromaltose D-(+)-maltose D-maltose Malt sugar Malzzucker alpha-D-Glcp-(1->4)-D-Glcp alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose alpha-malt sugar maltobiose CHEBI:17306 LanguaL curation note: Used when maltose or a high maltose sweetener is the major ingredient. maltose Beilstein:1292747 Beilstein CAS:69-79-4 ChemIDplus CAS:69-79-4 KEGG COMPOUND CAS:69-79-4 NIST Chemistry WebBook PMID:16332759 Europe PMC PMID:17723085 Europe PMC PMID:22094343 Europe PMC PMID:22185612 Europe PMC PMID:22246222 Europe PMC PMID:22252265 Europe PMC PMID:22411612 Europe PMC PMID:22424089 Europe PMC PMID:22451670 Europe PMC PMID:22469630 Europe PMC PMID:22529943 Europe PMC PMID:22573161 Europe PMC PMID:22669197 Europe PMC Reaxys:1292747 Reaxys Maltose KEGG_COMPOUND alpha-D-glucopyranosyl-(1->4)-D-glucopyranose IUPAC alpha-D-glucopyranosyl-(1->4)-D-glucose IUPAC 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose KEGG_COMPOUND 4-(alpha-D-glucopyranosido)-alpha-glucopyranose NIST_Chemistry_WebBook 4-(alpha-D-glucosido)-D-glucose NIST_Chemistry_WebBook 4-O-alpha-D-glucopyranosyl-D-glucopyranose IUPAC 4-O-alpha-D-glucopyranosyl-D-glucose NIST_Chemistry_WebBook Cextromaltose NIST_Chemistry_WebBook D-(+)-maltose ChemIDplus D-maltose NIST_Chemistry_WebBook D-maltose UniProt Malt sugar KEGG_COMPOUND Malzzucker ChEBI alpha-D-Glcp-(1->4)-D-Glcp IUPAC alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose KEGG_COMPOUND alpha-malt sugar NIST_Chemistry_WebBook maltobiose NIST_Chemistry_WebBook Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. PMID:32015325 PMID:32256352 PMID:32413317 PMID:33495651 Wikipedia:Ferroptosis chebi_ontology ferroptosis inhibitors CHEBI:173084 ferroptosis inhibitor PMID:32015325 SUBMITTER PMID:32256352 Europe PMC PMID:32413317 Europe PMC PMID:33495651 Europe PMC ferroptosis inhibitors ChEBI Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. PMID:31899616 PMID:32015325 PMID:33167414 PMID:34012798 Wikipedia:Ferroptosis chebi_ontology ferroptosis inducers CHEBI:173085 ferroptosis inducer PMID:31899616 Europe PMC PMID:32015325 SUBMITTER PMID:33167414 Europe PMC PMID:34012798 Europe PMC ferroptosis inducers ChEBI 0 ClHO3 HClO3 InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4) XTEGARKTQYYJKE-UHFFFAOYSA-N 84.45884 83.96142 [H]OCl(=O)=O CHEBI:23113 CHEBI:3607 CAS:7790-93-4 Gmelin:1492 KEGG:C01485 PDBeChem:LCO Chloric acid chloric acid hydroxidodioxidochlorine chebi_ontology Chlorate Chlorsaeure HClO3 [ClO2(OH)] CHEBI:17322 chloric acid CAS:7790-93-4 ChemIDplus CAS:7790-93-4 KEGG COMPOUND CAS:7790-93-4 NIST Chemistry WebBook Gmelin:1492 Gmelin Chloric acid KEGG_COMPOUND chloric acid IUPAC hydroxidodioxidochlorine IUPAC Chlorate KEGG_COMPOUND Chlorsaeure ChEBI HClO3 IUPAC [ClO2(OH)] IUPAC 0 C5H12O13P3R 373.063 372.94908 [C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)(O)O)(=O)O)(=O)O CHEBI:13411 CHEBI:14677 CHEBI:25610 CHEBI:7442 CHEBI:7655 KEGG:C00201 chebi_ontology NTP Nucleoside triphosphate nucleoside triphosphates CHEBI:17326 nucleoside 5'-triphoshate NTP KEGG_COMPOUND Nucleoside triphosphate KEGG_COMPOUND nucleoside triphosphates ChEBI A retinol in which all four exocyclic double bonds have E- (trans-) geometry. 0 C20H30O InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ FPIPGXGPPPQFEQ-OVSJKPMPSA-N 286.459 286.22967 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C CHEBI:12783 CHEBI:22349 CHEBI:8816 Beilstein:403040 CAS:11103-57-4 CAS:68-26-8 Chemspider:393012 DrugBank:DB00162 Drug_Central:2831 Gmelin:247497 HMDB:HMDB0000305 KEGG:C00473 KEGG:C17276 KEGG:D00069 KEGG:D06543 KNApSAcK:C00031437 LIPID_MAPS_instance:LMPR01090001 MetaCyc:CPD-13524 PDBeChem:RTL PMID:10637381 PMID:12074187 PMID:12221269 PMID:12229281 PMID:12548314 PMID:12600856 PMID:1414975 PMID:15041701 PMID:15051608 PMID:15531678 PMID:15622799 PMID:15929633 PMID:16469975 PMID:16507353 PMID:16825693 PMID:17790232 PMID:19264891 PMID:20697621 PMID:2217163 PMID:22444309 PMID:2295828 PMID:25478840 PMID:30510477 PMID:31484771 PMID:7971717 PMID:8464067 PMID:8496140 PMID:9155646 PMID:9736606 Wikipedia:Retinol all-trans-Retinol all-trans-retinol chebi_ontology (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol Alphalin Aquasol A Chocola A Vitamin A1 all-trans retinol all-trans-retinyl alcohol all-trans-vitamin A all-trans-vitamin A alcohol retinol retinol (vit A) retinolum trans-retinol vitamin A vitamin A alcohol vitamin A1 vitamin A1 alcohol CHEBI:17336 all-trans-retinol all-trans-retinol Beilstein:403040 Beilstein CAS:11103-57-4 ChemIDplus CAS:68-26-8 ChemIDplus CAS:68-26-8 KEGG COMPOUND CAS:68-26-8 NIST Chemistry WebBook Drug_Central:2831 DrugCentral Gmelin:247497 Gmelin LIPID_MAPS_instance:LMPR01090001 LIPID MAPS PMID:10637381 Europe PMC PMID:12074187 Europe PMC PMID:12221269 Europe PMC PMID:12229281 Europe PMC PMID:12548314 Europe PMC PMID:12600856 Europe PMC PMID:1414975 Europe PMC PMID:15041701 Europe PMC PMID:15051608 Europe PMC PMID:15531678 Europe PMC PMID:15622799 Europe PMC PMID:15929633 Europe PMC PMID:16469975 Europe PMC PMID:16507353 Europe PMC PMID:16825693 Europe PMC PMID:17790232 Europe PMC PMID:19264891 Europe PMC PMID:20697621 Europe PMC PMID:2217163 Europe PMC PMID:22444309 Europe PMC PMID:2295828 Europe PMC PMID:25478840 Europe PMC PMID:30510477 Europe PMC PMID:31484771 Europe PMC PMID:7971717 Europe PMC PMID:8464067 Europe PMC PMID:8496140 Europe PMC PMID:9155646 Europe PMC PMID:9736606 Europe PMC all-trans-Retinol KEGG_COMPOUND all-trans-retinol IUPAC all-trans-retinol UniProt (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol IUPAC (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol HMDB Alphalin ChemIDplus Aquasol A KEGG_DRUG Chocola A ChemIDplus Vitamin A1 KEGG_COMPOUND all-trans retinol ChemIDplus all-trans-retinyl alcohol ChemIDplus all-trans-vitamin A ChemIDplus all-trans-vitamin A alcohol NIST_Chemistry_WebBook retinol WHO_MedNet retinol (vit A) DrugCentral retinolum WHO_MedNet trans-retinol HMDB vitamin A KEGG_COMPOUND vitamin A alcohol ChemIDplus vitamin A1 ChEBI vitamin A1 alcohol ChemIDplus A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase. 0 C10H14N5O8P InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 RQFCJASXJCIDSX-UUOKFMHZSA-N 363.22082 363.05800 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CHEBI:13341 CHEBI:14381 CHEBI:24449 CHEBI:24450 CHEBI:40119 CHEBI:42647 CHEBI:42831 CHEBI:42887 CHEBI:42979 CHEBI:47450 CHEBI:5228 CAS:85-32-5 DrugBank:DB01972 HMDB:HMDB0001397 KEGG:C00144 KNApSAcK:C00019635 MetaCyc:GMP PDBeChem:5GP PMID:11233304 PMID:11670950 PMID:22735334 PMID:2559771 PMID:3569407 Reaxys:59430 Wikipedia:Guanosine_monophosphate 5'-guanylic acid Guanosine 5'-monophosphate [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate chebi_ontology 5'-GMP GMP Guanosine 5'-phosphate Guanosine monophosphate Guanylic acid guanosine-5'-monophosphate pG CHEBI:17345 guanosine 5'-monophosphate CAS:85-32-5 ChemIDplus CAS:85-32-5 KEGG COMPOUND PMID:11233304 Europe PMC PMID:11670950 Europe PMC PMID:22735334 Europe PMC PMID:2559771 Europe PMC PMID:3569407 Europe PMC Reaxys:59430 Reaxys 5'-guanylic acid IUPAC Guanosine 5'-monophosphate KEGG_COMPOUND [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate IUPAC 5'-GMP ChemIDplus GMP KEGG_COMPOUND Guanosine 5'-phosphate KEGG_COMPOUND Guanosine monophosphate KEGG_COMPOUND Guanylic acid KEGG_COMPOUND guanosine-5'-monophosphate PDBeChem pG ChEBI An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5.. 0 C19H28O2 InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 MUMGGOZAMZWBJJ-DYKIIFRCSA-N 288.42440 288.20893 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHEBI:15214 CHEBI:26883 CHEBI:45798 CHEBI:9461 Beilstein:1915399 Beilstein:3653705 CAS:58-22-0 DrugBank:DB00624 Drug_Central:2607 Gmelin:538843 HMDB:HMDB0000234 KEGG:C00535 KEGG:D00075 KNApSAcK:C00003675 LIPID_MAPS_instance:LMST02020002 PDBeChem:TES PMID:10438974 PMID:11786693 PMID:18900503 PMID:24498482 Reaxys:1915399 Wikipedia:Testosterone 17beta-hydroxyandrost-4-en-3-one TESTOSTERONE Testosterone testosterone chebi_ontology 17beta-Hydroxy-4-androsten-3-one 17beta-hydroxy-4-androsten-3-one 4-androsten-17beta-ol-3-one Androderm Testosteron testosterona testosterone testosteronum CHEBI:17347 testosterone Beilstein:1915399 Beilstein Beilstein:3653705 Beilstein CAS:58-22-0 ChemIDplus CAS:58-22-0 KEGG COMPOUND CAS:58-22-0 NIST Chemistry WebBook Drug_Central:2607 DrugCentral Gmelin:538843 Gmelin LIPID_MAPS_instance:LMST02020002 LIPID MAPS PMID:10438974 Europe PMC PMID:11786693 Europe PMC PMID:18900503 Europe PMC PMID:24498482 Europe PMC Reaxys:1915399 Reaxys 17beta-hydroxyandrost-4-en-3-one IUPAC TESTOSTERONE PDBeChem Testosterone KEGG_COMPOUND testosterone UniProt 17beta-Hydroxy-4-androsten-3-one KEGG_COMPOUND 17beta-hydroxy-4-androsten-3-one ChEBI 4-androsten-17beta-ol-3-one NIST_Chemistry_WebBook Androderm ChemIDplus Testosteron ChemIDplus testosterona ChemIDplus testosterone ChemIDplus testosteronum ChemIDplus An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. 0 C18H32O2 InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- OYHQOLUKZRVURQ-HZJYTTRNSA-N 280.44550 280.24023 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O CHEBI:25047 CHEBI:42395 CHEBI:6479 Beilstein:1727101 CAS:60-33-3 Drug_Central:3323 Gmelin:57557 HMDB:HMDB0000673 KEGG:C01595 KNApSAcK:C00001224 LIPID_MAPS_instance:LMFA01030120 MetaCyc:LINOLEIC_ACID PDBeChem:EIC PMID:11113630 PMID:11304127 PMID:11322990 PMID:14667063 PMID:14993245 PMID:15115315 PMID:15642793 PMID:15969511 PMID:16254037 PMID:16563718 PMID:17647039 PMID:18044828 PMID:18990554 PMID:19628674 PMID:19936816 PMID:23900039 PMID:24081493 PMID:6205897 Reaxys:1727101 Wikipedia:Linoleic_acid (9Z,12Z)-octadeca-9,12-dienoic acid LINOLEIC ACID Linoleic acid chebi_ontology (9Z,12Z)-Octadecadienoic acid (Z,Z)-9,12-octadecadienoic acid 9-cis,12-cis-Octadecadienoic acid 9Z,12Z-octadecadienoic acid C18:2 9c, 12c omega6 todos cis-9,12-octadienoico C18:2, n-6,9 all-cis LA acide cis-linoleique acide linoleique acido linoleico all-cis-9,12-octadecadienoic acid cis,cis-9,12-octadecadienoic acid cis,cis-linoleic acid cis-Delta(9,12)-octadecadienoic acid linolic acid CHEBI:17351 linoleic acid Beilstein:1727101 Beilstein CAS:60-33-3 ChemIDplus CAS:60-33-3 KEGG COMPOUND CAS:60-33-3 NIST Chemistry WebBook Drug_Central:3323 DrugCentral Gmelin:57557 Gmelin LIPID_MAPS_instance:LMFA01030120 LIPID MAPS PMID:11113630 Europe PMC PMID:11304127 Europe PMC PMID:11322990 Europe PMC PMID:14667063 Europe PMC PMID:14993245 Europe PMC PMID:15115315 Europe PMC PMID:15642793 Europe PMC PMID:15969511 Europe PMC PMID:16254037 Europe PMC PMID:16563718 Europe PMC PMID:17647039 Europe PMC PMID:18044828 Europe PMC PMID:18990554 Europe PMC PMID:19628674 Europe PMC PMID:19936816 Europe PMC PMID:23900039 Europe PMC PMID:24081493 Europe PMC PMID:6205897 Europe PMC Reaxys:1727101 Reaxys (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC LINOLEIC ACID PDBeChem Linoleic acid KEGG_COMPOUND (9Z,12Z)-Octadecadienoic acid KEGG_COMPOUND (Z,Z)-9,12-octadecadienoic acid NIST_Chemistry_WebBook 9-cis,12-cis-Octadecadienoic acid KEGG_COMPOUND 9Z,12Z-octadecadienoic acid LIPID_MAPS C18:2 9c, 12c omega6 todos cis-9,12-octadienoico ChEBI C18:2, n-6,9 all-cis ChEBI LA ChEBI acide cis-linoleique ChEBI acide linoleique ChEBI acido linoleico ChEBI all-cis-9,12-octadecadienoic acid ChEBI cis,cis-9,12-octadecadienoic acid ChEBI cis,cis-linoleic acid ChEBI cis,cis-linoleic acid NIST_Chemistry_WebBook cis-Delta(9,12)-octadecadienoic acid ChemIDplus linolic acid ChEBI A 16-hydroxy steroid in which the hydroxy group at position 16 has a beta-configuration. 0 C19H31OR 275.450 275.23749 C12C(C3C(C([C@H](C3)O)*)(C)CC1)CCC4C2(CCCC4)C CHEBI:11334 CHEBI:19166 CHEBI:779 KEGG:C03050 MetaCyc:16-BETA-HYDROXYSTEROID chebi_ontology 16beta-Hydroxysteroid 16beta-hydroxy steroids a 16beta-hydroxysteroid CHEBI:17354 16beta-hydroxy steroid 16beta-Hydroxysteroid KEGG_COMPOUND 16beta-hydroxy steroids ChEBI a 16beta-hydroxysteroid UniProt The parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene. 0 C15H13NO InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17) CZIHNRWJTSTCEX-UHFFFAOYSA-N 223.270 223.09971 C(=O)(NC=1C=C2C(C=3C(C2)=CC=CC3)=CC1)C CHEBI:11494 CHEBI:19431 CHEBI:40645 CHEBI:981 Beilstein:2807677 CAS:53-96-3 KEGG:C02778 LINCS:LSM-37153 PDBeChem:AFF PMID:15380103 PMID:17434228 PMID:21417629 PMID:21668357 PMID:22514719 PMID:23536516 PMID:24021430 PMID:7151044 Reaxys:2807677 Wikipedia:2-Acetylaminofluorene 2-Acetamidofluorene 2-acetamidofluorene N-(9H-fluoren-2-yl)acetamide chebi_ontology 2-(Acetylamino)fluorene 2-AAF 2-ACETYLAMINOFLUORENE-3-YL 2-Acetaminofluorene 2-Acetoaminofluorene 2-Acetylaminofluorene 2-FAA N-2-Fluorenylacetamide N-Acetyl-2-aminofluorene N-fluoren-2-ylacetamide CHEBI:17356 2-acetamidofluorene Beilstein:2807677 Beilstein CAS:53-96-3 ChemIDplus CAS:53-96-3 KEGG COMPOUND CAS:53-96-3 NIST Chemistry WebBook PMID:15380103 Europe PMC PMID:17434228 Europe PMC PMID:21417629 Europe PMC PMID:21668357 Europe PMC PMID:22514719 Europe PMC PMID:23536516 Europe PMC PMID:24021430 Europe PMC PMID:7151044 Europe PMC Reaxys:2807677 Reaxys 2-Acetamidofluorene KEGG_COMPOUND 2-acetamidofluorene UniProt N-(9H-fluoren-2-yl)acetamide IUPAC 2-(Acetylamino)fluorene ChemIDplus 2-AAF NIST_Chemistry_WebBook 2-ACETYLAMINOFLUORENE-3-YL PDBeChem 2-Acetaminofluorene ChemIDplus 2-Acetoaminofluorene ChemIDplus 2-Acetylaminofluorene ChemIDplus 2-FAA NIST_Chemistry_WebBook N-2-Fluorenylacetamide KEGG_COMPOUND N-Acetyl-2-aminofluorene ChemIDplus N-fluoren-2-ylacetamide NIST_Chemistry_WebBook A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). -2 O3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2 LSNNMFCWUKXFEE-UHFFFAOYSA-L 80.06420 79.95791 [O-]S([O-])=O CHEBI:15139 CHEBI:45548 CAS:14265-45-3 Gmelin:1449 PDBeChem:SO3 sulfite trioxidosulfate(2-) trioxosulfate(2-) trioxosulfate(IV) chebi_ontology SO3 SO3(2-) SULFITE ION [SO3](2-) sulphite CHEBI:17359 sulfite CAS:14265-45-3 ChemIDplus Gmelin:1449 Gmelin sulfite IUPAC sulfite UniProt trioxidosulfate(2-) IUPAC trioxosulfate(2-) IUPAC trioxosulfate(IV) IUPAC SO3 ChEBI SO3(2-) IUPAC SULFITE ION PDBeChem [SO3](2-) IUPAC sulphite ChEBI The simplest member of the quinoline class of compounds, comprising a benzene ring ortho fused to C-2 and C-3 of a pyridine ring. 0 C9H7N InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H SMWDFEZZVXVKRB-UHFFFAOYSA-N 129.15860 129.05785 c1ccc2ncccc2c1 CHEBI:15007 CHEBI:8727 Beilstein:107477 CAS:91-22-5 Gmelin:27201 HMDB:HMDB0033731 KEGG:C06413 KNApSAcK:C00026478 MetaCyc:QUINOLINE PMID:16406213 PMID:8070089 Reaxys:107477 Wikipedia:Quinoline Quinoline quinoline chebi_ontology Chinolin benzo[b]pyridine CHEBI:17362 quinoline Beilstein:107477 Beilstein CAS:91-22-5 ChemIDplus CAS:91-22-5 KEGG COMPOUND CAS:91-22-5 NIST Chemistry WebBook Gmelin:27201 Gmelin PMID:16406213 Europe PMC PMID:8070089 Europe PMC Reaxys:107477 Reaxys Quinoline KEGG_COMPOUND quinoline IUPAC quinoline UniProt Chinolin NIST_Chemistry_WebBook benzo[b]pyridine NIST_Chemistry_WebBook A 2-hydroxy monocarboxylic acid in which the carbon at position 2 has (S)-configuration. 0 C2H3O3R 75.044 75.00822 C([C@@H](O)*)(=O)O CHEBI:11031 CHEBI:18737 CHEBI:378 CHEBI:381 chebi_ontology (2S)-2-hydroxy monocarboxylic acids (S)-2-Hydroxy acid (S)-2-Hydroxyalkanoic acid (S)-2-Hydroxycarboxylic acid (S)-2-Hydroxymonocarboxylic acid (S)-2-hydroxy acid CHEBI:17375 (2S)-2-hydroxy monocarboxylic acid (2S)-2-hydroxy monocarboxylic acids ChEBI (S)-2-Hydroxy acid KEGG_COMPOUND (S)-2-Hydroxyalkanoic acid KEGG_COMPOUND (S)-2-Hydroxycarboxylic acid KEGG_COMPOUND (S)-2-Hydroxymonocarboxylic acid KEGG_COMPOUND (S)-2-hydroxy acid UniProt A straight-chain saturated fatty acid containing five carbon atoms. 0 C5H10O2 InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) NQPDZGIKBAWPEJ-UHFFFAOYSA-N 102.13170 102.06808 CCCCC(O)=O CHEBI:113448 CHEBI:27263 CHEBI:27264 CHEBI:43606 CHEBI:44803 CHEBI:7980 Beilstein:969454 CAS:109-52-4 DrugBank:DB02406 Gmelin:26714 HMDB:HMDB0000892 KEGG:C00803 KNApSAcK:C00001208 LIPID_MAPS_instance:LMFA01010005 PDBeChem:LEA PMID:20507156 PPDB:3130 Reaxys:969454 Wikipedia:Valeric_acid Valeric acid pentanoic acid chebi_ontology 1-butanecarboxylic acid CH3-[CH2]3-COOH PENTANOIC ACID Pentanoate Pentanoic acid Valerate Valerianic acid Valeriansaeure n-BuCOOH n-Pentanoate n-Valeric acid n-pentanoic acid n-valeric acid pentoic acid propylacetic acid valeric acid, normal CHEBI:17418 valeric acid Beilstein:969454 Beilstein CAS:109-52-4 ChemIDplus CAS:109-52-4 KEGG COMPOUND CAS:109-52-4 NIST Chemistry WebBook Gmelin:26714 Gmelin LIPID_MAPS_instance:LMFA01010005 LIPID MAPS PMID:20507156 Europe PMC Reaxys:969454 Reaxys Valeric acid KEGG_COMPOUND pentanoic acid IUPAC 1-butanecarboxylic acid ChemIDplus 1-butanecarboxylic acid NIST_Chemistry_WebBook CH3-[CH2]3-COOH IUPAC PENTANOIC ACID PDBeChem Pentanoate KEGG_COMPOUND Pentanoic acid KEGG_COMPOUND Valerate KEGG_COMPOUND Valerianic acid KEGG_COMPOUND Valeriansaeure ChEBI n-BuCOOH ChEBI n-Pentanoate KEGG_COMPOUND n-Valeric acid KEGG_COMPOUND n-pentanoic acid ChemIDplus n-valeric acid ChemIDplus pentoic acid ChEBI propylacetic acid ChemIDplus valeric acid, normal ChemIDplus A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. 0 C10H18O InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ GLZPCOQZEFWAFX-JXMROGBWSA-N 154.24932 154.13577 CC(C)=CCC\C(C)=C\CO CHEBI:14297 CHEBI:24219 CHEBI:5329 BPDB:2374 Beilstein:1722456 CAS:106-24-1 Gmelin:185248 KEGG:C01500 KNApSAcK:C00000845 LIPID_MAPS_instance:LMPR0102010016 PMID:18824010 PMID:20573166 PMID:23102596 PMID:23108028 PMID:23168261 PMID:23200656 PMID:23399806 PMID:23415329 PMID:23499697 PMID:23510343 VSDB:2374 Wikipedia:Geraniol (2E)-3,7-dimethylocta-2,6-dien-1-ol Geraniol chebi_ontology (2E)-3,7-dimethyl-2,6-octadien-1-ol (2E)-geraniol (E)-3,7-dimethyl-2,6-octadien-1-ol (E)-geraniol (E)-nerol 2-trans-3,7-Dimethyl-2,6-octadien-1-ol 3,7-dimethyl-trans-2,6-octadien-1-ol geranyl alcohol lemonol t-geraniol trans-3,7-dimethyl-2,6-octadien-1-ol trans-geraniol CHEBI:17447 geraniol geraniol A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. 0 CHOR 29.01800 29.00274 [H]C([*])=O CHEBI:13432 CHEBI:13753 CHEBI:13805 CHEBI:13806 CHEBI:22291 CHEBI:2554 CHEBI:8750 KEGG:C00071 Aldehyde aldehyde aldehydes chebi_ontology Aldehyd RC(=O)H RCHO aldehido aldehidos aldehydes aldehydum an aldehyde CHEBI:17478 aldehyde Aldehyde KEGG_COMPOUND aldehyde ChEBI aldehyde IUPAC aldehydes IUPAC Aldehyd ChEBI RC(=O)H IUPAC RCHO KEGG_COMPOUND aldehido ChEBI aldehidos ChEBI aldehydes ChEBI aldehydum ChEBI an aldehyde UniProt A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase. 0 C10H12N5O6P InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N 329.20614 329.05252 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O CHEBI:11673 CHEBI:1325 CHEBI:19827 CHEBI:41588 Beilstein:52645 CAS:60-92-4 DrugBank:DB02527 HMDB:HMDB0000058 KEGG:C00575 KNApSAcK:C00001497 MetaCyc:CAMP PDBeChem:CMP PMID:16295522 PMID:18372334 PMID:22770225 Reaxys:52645 Wikipedia:Cyclic_AMP 3',5'-Cyclic AMP adenosine 3',5'-(hydrogen phosphate) chebi_ontology ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE Adenosine 3',5'-cyclic phosphate Adenosine 3',5'-phosphate Cyclic AMP Cyclic adenylic acid adenosine 3',5'-cyclic monophosphate cAMP CHEBI:17489 3',5'-cyclic AMP Beilstein:52645 Beilstein CAS:60-92-4 ChemIDplus CAS:60-92-4 KEGG COMPOUND CAS:60-92-4 NIST Chemistry WebBook PMID:16295522 Europe PMC PMID:18372334 Europe PMC PMID:22770225 Europe PMC Reaxys:52645 Reaxys 3',5'-Cyclic AMP KEGG_COMPOUND adenosine 3',5'-(hydrogen phosphate) IUPAC ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE PDBeChem Adenosine 3',5'-cyclic phosphate KEGG_COMPOUND Adenosine 3',5'-phosphate KEGG_COMPOUND Cyclic AMP KEGG_COMPOUND Cyclic adenylic acid KEGG_COMPOUND adenosine 3',5'-cyclic monophosphate NIST_Chemistry_WebBook cAMP KEGG_COMPOUND A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated. 0 C2H4O3 InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) AEMRFAOFKBGASW-UHFFFAOYSA-N 76.05136 76.01604 OCC(O)=O CHEBI:24390 CHEBI:42865 CHEBI:5475 CAS:79-14-1 Drug_Central:4645 HMDB:HMDB0000115 KEGG:C00160 KNApSAcK:C00007461 LIPID_MAPS_instance:LMFA01050148 MetaCyc:GLYCOLLATE PDBeChem:GOA PMID:14585457 PMID:15662707 PMID:15716481 PMID:15716482 PMID:18498500 PMID:19025792 PMID:21950544 PMID:22044748 PMID:22128110 PMID:22360337 PMID:22421647 Reaxys:1209322 Wikipedia:Glycolic_acid GLYCOLIC ACID Glycolic acid hydroxyacetic acid chebi_ontology 2-Hydroxyacetic acid 2-Hydroxyethanoic acid Glycollic acid HOCH2COOH Hydroxyacetic acid Hydroxyethanoic acid alpha-Hydroxyacetic acid alpha-hydroxyacetic acid CHEBI:17497 glycolic acid CAS:79-14-1 ChemIDplus CAS:79-14-1 KEGG COMPOUND CAS:79-14-1 NIST Chemistry WebBook Drug_Central:4645 DrugCentral LIPID_MAPS_instance:LMFA01050148 LIPID MAPS PMID:14585457 Europe PMC PMID:15662707 Europe PMC PMID:15716481 Europe PMC PMID:15716482 Europe PMC PMID:18498500 Europe PMC PMID:19025792 Europe PMC PMID:21950544 Europe PMC PMID:22044748 Europe PMC PMID:22128110 Europe PMC PMID:22360337 Europe PMC PMID:22421647 Europe PMC Reaxys:1209322 Reaxys GLYCOLIC ACID PDBeChem Glycolic acid KEGG_COMPOUND hydroxyacetic acid IUPAC 2-Hydroxyacetic acid ChemIDplus 2-Hydroxyethanoic acid NIST_Chemistry_WebBook Glycollic acid ChemIDplus HOCH2COOH NIST_Chemistry_WebBook Hydroxyacetic acid KEGG_COMPOUND Hydroxyethanoic acid ChemIDplus alpha-Hydroxyacetic acid HMDB alpha-hydroxyacetic acid NIST_Chemistry_WebBook A molecular entity that can undergo oxidation by the loss of hydrogen atom(s). 0 RH2 2.016 2.01565 *([H])[H] CHEBI:13233 CHEBI:15018 CHEBI:8785 KEGG:C00030 chebi_ontology AH2 Donor Hydrogen-donor Reduced acceptor CHEBI:17499 hydrogen donor AH2 KEGG_COMPOUND AH2 UniProt Donor KEGG_COMPOUND Hydrogen-donor KEGG_COMPOUND Reduced acceptor KEGG_COMPOUND A pseudohalide anion that is the conjugate base of hydrogen cyanide. -1 CN InChI=1S/CN/c1-2/q-1 XFXPMWWXUTWYJX-UHFFFAOYSA-N 26.01740 26.00362 [C-]#N CHEBI:14038 CHEBI:3969 CHEBI:41780 Beilstein:1900509 CAS:57-12-5 Gmelin:89 HMDB:HMDB0002084 KEGG:C00177 MetaCyc:CPD-13584 PDBeChem:CYN PMID:11386635 PMID:14871577 PMID:17554165 PMID:7839575 Reaxys:1900509 Wikipedia:Cyanide Cyanide cyanide nitridocarbonate(1-) chebi_ontology CN(-) CN- CYANIDE ION Prussiate Zyanid CHEBI:17514 cyanide Beilstein:1900509 Beilstein CAS:57-12-5 ChemIDplus CAS:57-12-5 KEGG COMPOUND CAS:57-12-5 NIST Chemistry WebBook Gmelin:89 Gmelin PMID:11386635 Europe PMC PMID:14871577 Europe PMC PMID:17554165 Europe PMC PMID:7839575 Europe PMC Reaxys:1900509 Reaxys Cyanide ChEBI Cyanide KEGG_COMPOUND cyanide IUPAC nitridocarbonate(1-) IUPAC CN(-) IUPAC CN- KEGG_COMPOUND CYANIDE ION PDBeChem Prussiate KEGG_COMPOUND Zyanid ChEBI A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group). 0 (CH2O)nC2H6O2 CHEBI:13754 CHEBI:22298 CHEBI:2556 KEGG:C00717 Wikipedia:Glycerin Alditol alditol chebi_ontology Glycitol Sugar alcohol alditols CHEBI:17522 alditol Alditol KEGG_COMPOUND alditol UniProt Glycitol KEGG_COMPOUND Sugar alcohol KEGG_COMPOUND alditols ChEBI The carbon oxoanion resulting from the removal of a proton from carbonic acid. -1 CHO3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 BVKZGUZCCUSVTD-UHFFFAOYSA-M 61.01684 60.99312 OC([O-])=O CHEBI:13363 CHEBI:22863 CHEBI:40961 CHEBI:5589 Beilstein:3903504 CAS:71-52-3 Gmelin:49249 HMDB:HMDB0000595 KEGG:C00288 MetaCyc:HCO3 PDBeChem:BCT PMID:17215880 PMID:17505962 PMID:18439416 PMID:28732801 PMID:29150416 PMID:29460248 PMID:29466234 PMID:4208463 Wikipedia:Bicarbonate Hydrogencarbonate hydrogen(trioxidocarbonate)(1-) hydrogencarbonate hydrogencarbonate(1-) hydrogentrioxocarbonate(1-) hydrogentrioxocarbonate(IV) hydroxidodioxidocarbonate(1-) chebi_ontology Acid carbonate BICARBONATE ION Bicarbonate HCO3(-) HCO3- [CO2(OH)](-) hydrogen carbonate CHEBI:17544 hydrogencarbonate Beilstein:3903504 Beilstein CAS:71-52-3 ChemIDplus Gmelin:49249 Gmelin PMID:17215880 Europe PMC PMID:17505962 Europe PMC PMID:18439416 Europe PMC PMID:28732801 Europe PMC PMID:29150416 Europe PMC PMID:29460248 Europe PMC PMID:29466234 Europe PMC PMID:4208463 Europe PMC Hydrogencarbonate KEGG_COMPOUND hydrogen(trioxidocarbonate)(1-) IUPAC hydrogencarbonate IUPAC hydrogencarbonate UniProt hydrogencarbonate(1-) IUPAC hydrogentrioxocarbonate(1-) IUPAC hydrogentrioxocarbonate(IV) IUPAC hydroxidodioxidocarbonate(1-) IUPAC Acid carbonate KEGG_COMPOUND BICARBONATE ION PDBeChem Bicarbonate KEGG_COMPOUND HCO3(-) IUPAC HCO3- KEGG_COMPOUND [CO2(OH)](-) IUPAC hydrogen carbonate PDBeChem An optically active form of cysteine having L-configuration. l-cysteine http://langual.org 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N 121.15800 121.01975 N[C@@H](CS)C(O)=O CHEBI:13095 CHEBI:21261 CHEBI:41227 CHEBI:41700 CHEBI:41768 CHEBI:41781 CHEBI:41811 CHEBI:6207 Beilstein:1721408 CAS:52-90-4 Codex::920 DrugBank:DB00151 Drug_Central:769 ECMDB:ECMDB00574 Europe::920 Gmelin:49991 HMDB:HMDB0000574 KEGG:C00097 KEGG:D00026 KNApSAcK:C00001351 MetaCyc:CYS PDBeChem:CYS PMID:11732994 PMID:13761469 PMID:22735334 Reaxys:1721408 Wikipedia:Cysteine YMDB:YMDB00046 http://www.langual.org/langual_thesaurus.asp?termid=B4426 L-Cysteine L-cysteine chebi_ontology (2R)-2-amino-3-mercaptopropanoic acid (2R)-2-amino-3-sulfanylpropanoic acid (R)-2-amino-3-mercaptopropanoic acid C CYSTEINE Cys E 920 E-920 E920 FREE CYSTEINE L-2-Amino-3-mercaptopropionic acid L-Cystein L-Zystein cysteine, l- and its hydrochlorides - sodium and potassium salts CHEBI:17561 LanguaL term definition: Food additive; technological purpose(s): flour treatment agent. L-cysteine Beilstein:1721408 Beilstein CAS:52-90-4 ChemIDplus CAS:52-90-4 KEGG COMPOUND CAS:52-90-4 NIST Chemistry WebBook Drug_Central:769 DrugCentral Gmelin:49991 Gmelin PMID:11732994 Europe PMC PMID:13761469 Europe PMC PMID:22735334 Europe PMC Reaxys:1721408 Reaxys L-Cysteine KEGG_COMPOUND L-cysteine IUPAC (2R)-2-amino-3-mercaptopropanoic acid JCBN (2R)-2-amino-3-sulfanylpropanoic acid IUPAC (R)-2-amino-3-mercaptopropanoic acid NIST_Chemistry_WebBook C ChEBI CYSTEINE PDBeChem Cys ChEBI E 920 ChEBI E-920 ChEBI E920 ChEBI FREE CYSTEINE PDBeChem L-2-Amino-3-mercaptopropionic acid KEGG_COMPOUND L-Cystein ChEBI L-Zystein ChEBI A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid. -2 C8H4O4 InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2 XNGIFLGASWRNHJ-UHFFFAOYSA-L 164.11496 164.01206 [O-]C(=O)c1ccccc1C([O-])=O CHEBI:14831 CHEBI:26090 Beilstein:3906509 CAS:3198-29-6 Gmelin:3530 KEGG:C01606 Reaxys:3906509 UM-BBD_compID:c0181 benzene-1,2-dicarboxylate chebi_ontology 1,2-benzenedicarboxylate phthalate CHEBI:17563 phthalate(2-) Beilstein:3906509 Beilstein CAS:3198-29-6 ChemIDplus Gmelin:3530 Gmelin Reaxys:3906509 Reaxys UM-BBD_compID:c0181 UM-BBD benzene-1,2-dicarboxylate IUPAC 1,2-benzenedicarboxylate ChEBI phthalate UniProt A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. 0 C4H4N2O2 InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N 112.08684 112.02728 O=c1cc[nH]c(=O)[nH]1 CHEBI:15288 CHEBI:27210 CHEBI:46375 CHEBI:9882 Beilstein:606623 CAS:66-22-8 DrugBank:DB03419 Gmelin:2896 HMDB:HMDB0000300 KEGG:C00106 KEGG:D00027 KNApSAcK:C00001513 MetaCyc:URACIL PDBeChem:URA PMID:11279060 PMID:12855717 PMID:15274295 PMID:16834123 PMID:17439666 PMID:18533995 PMID:18815805 PMID:19175333 PMID:22020693 PMID:22074393 PMID:22120518 PMID:22171528 PMID:22237209 PMID:22299724 PMID:22356544 PMID:22447672 PMID:22483865 PMID:22567906 PMID:22685418 PMID:3654008 Reaxys:606623 Wikipedia:Uracil URACIL Uracil pyrimidine-2,4(1H,3H)-dione uracil chebi_ontology 2,4(1H,3H)-pyrimidinedione 2,4-Dioxopyrimidine 2,4-Pyrimidinedione U Ura Urazil CHEBI:17568 uracil Beilstein:606623 Beilstein CAS:66-22-8 ChemIDplus CAS:66-22-8 KEGG COMPOUND CAS:66-22-8 NIST Chemistry WebBook Gmelin:2896 Gmelin PMID:11279060 Europe PMC PMID:12855717 Europe PMC PMID:15274295 Europe PMC PMID:16834123 Europe PMC PMID:17439666 Europe PMC PMID:18533995 Europe PMC PMID:18815805 Europe PMC PMID:19175333 Europe PMC PMID:22020693 Europe PMC PMID:22074393 Europe PMC PMID:22120518 Europe PMC PMID:22171528 Europe PMC PMID:22237209 Europe PMC PMID:22299724 Europe PMC PMID:22356544 Europe PMC PMID:22447672 Europe PMC PMID:22483865 Europe PMC PMID:22567906 Europe PMC PMID:22685418 Europe PMC PMID:3654008 Europe PMC Reaxys:606623 Reaxys URACIL PDBeChem Uracil KEGG_COMPOUND pyrimidine-2,4(1H,3H)-dione IUPAC uracil UniProt 2,4(1H,3H)-pyrimidinedione NIST_Chemistry_WebBook 2,4-Dioxopyrimidine HMDB 2,4-Pyrimidinedione HMDB U ChEBI Ura CBN Urazil ChEBI The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. 0 C7H8 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N 92.13842 92.06260 Cc1ccccc1 CHEBI:15248 CHEBI:27022 CHEBI:44023 CHEBI:9624 Beilstein:635760 CAS:108-88-3 DrugBank:DB01900 Gmelin:2456 KEGG:C01455 PDBeChem:MBN PMID:11182169 PMID:11314682 PMID:11846266 PMID:11991009 PMID:12062755 PMID:12213539 PMID:12237258 PMID:12784113 PMID:12876426 PMID:14512097 PMID:14559343 PMID:14605898 PMID:15015825 PMID:15019953 PMID:15119846 PMID:15193425 PMID:15542760 PMID:15567510 PMID:15695158 PMID:15796064 PMID:16316648 PMID:16348226 PMID:16601996 PMID:17145141 PMID:17175136 PMID:17497535 PMID:17725881 PMID:18397809 PMID:18832024 PMID:19261054 PMID:19384711 PMID:19429395 PMID:19635754 PMID:19765629 PMID:19825861 PMID:19928203 PMID:19969016 PMID:20347282 PMID:20837561 PMID:21430649 PMID:21655021 PMID:21731073 PMID:21802510 PMID:21840036 Reaxys:635760 UM-BBD_compID:c0114 Wikipedia:Toluene TOLUENE Toluene toluene chebi_ontology Toluen Toluol methylbenzene phenylmethane CHEBI:17578 toluene Beilstein:635760 Beilstein CAS:108-88-3 ChemIDplus CAS:108-88-3 KEGG COMPOUND CAS:108-88-3 NIST Chemistry WebBook Gmelin:2456 Gmelin PMID:11182169 Europe PMC PMID:11314682 Europe PMC PMID:11846266 Europe PMC PMID:11991009 Europe PMC PMID:12062755 Europe PMC PMID:12213539 Europe PMC PMID:12237258 Europe PMC PMID:12784113 Europe PMC PMID:12876426 Europe PMC PMID:14512097 Europe PMC PMID:14559343 Europe PMC PMID:14605898 Europe PMC PMID:15015825 Europe PMC PMID:15019953 Europe PMC PMID:15119846 Europe PMC PMID:15193425 Europe PMC PMID:15542760 Europe PMC PMID:15567510 Europe PMC PMID:15695158 Europe PMC PMID:15796064 Europe PMC PMID:16316648 Europe PMC PMID:16348226 Europe PMC PMID:16601996 Europe PMC PMID:17145141 Europe PMC PMID:17175136 Europe PMC PMID:17497535 Europe PMC PMID:17725881 Europe PMC PMID:18397809 Europe PMC PMID:18832024 Europe PMC PMID:19261054 Europe PMC PMID:19384711 Europe PMC PMID:19429395 Europe PMC PMID:19635754 Europe PMC PMID:19765629 Europe PMC PMID:19825861 Europe PMC PMID:19928203 Europe PMC PMID:19969016 Europe PMC PMID:20347282 Europe PMC PMID:20837561 Europe PMC PMID:21430649 Europe PMC PMID:21655021 Europe PMC PMID:21731073 Europe PMC PMID:21802510 Europe PMC PMID:21840036 Europe PMC Reaxys:635760 Reaxys UM-BBD_compID:c0114 UM-BBD TOLUENE PDBeChem Toluene KEGG_COMPOUND toluene ChEBI toluene IUPAC toluene UniProt Toluen NIST_Chemistry_WebBook Toluol NIST_Chemistry_WebBook methylbenzene PDBeChem phenylmethane ChemIDplus A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. beta-carotene http://langual.org 0 C40H56 InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ OENHQHLEOONYIE-JLTXGRSLSA-N 536.87264 536.43820 CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHEBI:10355 CHEBI:12392 CHEBI:22834 CHEBI:40987 Beilstein:1917416 CAS:7235-40-7 COMe:MOL000093 Codex::160a Drug_Central:345 Europe::160a HMDB:HMDB0000561 KEGG:C02094 KEGG:D03101 KNApSAcK:C00000919 LIPID_MAPS_instance:LMPR01070000 LIPID_MAPS_instance:LMPR01070001 MetaCyc:CPD1F-129 PDBeChem:BCR PMID:11171227 PMID:11182771 PMID:11332447 PMID:11359610 PMID:11382814 PMID:11567548 PMID:11677037 PMID:11714348 PMID:11962062 PMID:12081834 PMID:12891827 PMID:14658721 PMID:14764912 PMID:14976384 PMID:14997360 PMID:15113067 PMID:15333155 PMID:15695449 PMID:15789045 PMID:15909543 PMID:15949680 PMID:15949683 PMID:16036331 PMID:16087476 PMID:16338959 PMID:16563447 PMID:17004738 PMID:17625873 PMID:17708644 PMID:17851775 PMID:18429004 PMID:18766464 PMID:18767554 PMID:18794175 PMID:19480350 PMID:19574250 PMID:19669835 PMID:19703237 PMID:19852884 PMID:19888275 PMID:19896667 PMID:19937581 PMID:20074992 PMID:20515074 PMID:22079732 PMID:22309480 PMID:22428124 PMID:22489215 PMID:22534340 PMID:22575730 Reaxys:1917416 Wikipedia:Beta_Carotene http://www.langual.org/langual_thesaurus.asp?termid=B3015 BETA-CAROTENE beta,beta-carotene beta-Carotene beta-carotene chebi_ontology 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene) all-trans-beta-carotene beta-Karotin carotenes CHEBI:17579 LanguaL term definition: Food additive. beta-carotene β-carotene Beilstein:1917416 Beilstein CAS:7235-40-7 ChemIDplus CAS:7235-40-7 KEGG COMPOUND CAS:7235-40-7 NIST Chemistry WebBook Drug_Central:345 DrugCentral LIPID_MAPS_instance:LMPR01070000 LIPID MAPS LIPID_MAPS_instance:LMPR01070001 LIPID MAPS PMID:11171227 Europe PMC PMID:11182771 Europe PMC PMID:11332447 Europe PMC PMID:11359610 Europe PMC PMID:11382814 Europe PMC PMID:11567548 Europe PMC PMID:11677037 Europe PMC PMID:11714348 Europe PMC PMID:11962062 Europe PMC PMID:12081834 Europe PMC PMID:12891827 Europe PMC PMID:14658721 Europe PMC PMID:14764912 Europe PMC PMID:14976384 Europe PMC PMID:14997360 Europe PMC PMID:15113067 Europe PMC PMID:15333155 Europe PMC PMID:15695449 Europe PMC PMID:15789045 Europe PMC PMID:15909543 Europe PMC PMID:15949680 Europe PMC PMID:15949683 Europe PMC PMID:16036331 Europe PMC PMID:16087476 Europe PMC PMID:16338959 Europe PMC PMID:16563447 Europe PMC PMID:17004738 Europe PMC PMID:17625873 Europe PMC PMID:17708644 Europe PMC PMID:17851775 Europe PMC PMID:18429004 Europe PMC PMID:18766464 Europe PMC PMID:18767554 Europe PMC PMID:18794175 Europe PMC PMID:19480350 Europe PMC PMID:19574250 Europe PMC PMID:19669835 Europe PMC PMID:19703237 Europe PMC PMID:19852884 Europe PMC PMID:19888275 Europe PMC PMID:19896667 Europe PMC PMID:19937581 Europe PMC PMID:20074992 Europe PMC PMID:20515074 Europe PMC PMID:22079732 Europe PMC PMID:22309480 Europe PMC PMID:22428124 Europe PMC PMID:22489215 Europe PMC PMID:22534340 Europe PMC PMID:22575730 Europe PMC Reaxys:1917416 Reaxys BETA-CAROTENE PDBeChem beta,beta-carotene IUPAC beta-Carotene KEGG_COMPOUND 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene) ChEBI all-trans-beta-carotene NIST_Chemistry_WebBook all-trans-beta-carotene UniProt beta-Karotin ChEBI A straight chain alkane composed of 8 carbon atoms. 0 C8H18 InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 TVMXDCGIABBOFY-UHFFFAOYSA-N 114.22852 114.14085 CCCCCCCC CHEBI:14680 CHEBI:25465 CHEBI:25645 CHEBI:44621 CHEBI:7723 Beilstein:1696875 CAS:111-65-9 DrugBank:DB02440 Gmelin:82412 HMDB:HMDB0001485 KEGG:C01387 LIPID_MAPS_instance:LMFA11000002 MetaCyc:CPD-148 PDBeChem:OCT PMID:11255151 PMID:24354334 Reaxys:1696875 UM-BBD_compID:c0044 Wikipedia:Octane Octane octane chebi_ontology CH3-[CH2]6-CH3 N-OCTANE Oktan n-Octane n-Oktan CHEBI:17590 octane Beilstein:1696875 Beilstein CAS:111-65-9 ChemIDplus CAS:111-65-9 KEGG COMPOUND CAS:111-65-9 NIST Chemistry WebBook Gmelin:82412 Gmelin LIPID_MAPS_instance:LMFA11000002 LIPID MAPS PMID:11255151 Europe PMC PMID:24354334 Europe PMC Reaxys:1696875 Reaxys UM-BBD_compID:c0044 UM-BBD Octane KEGG_COMPOUND octane IUPAC octane UniProt CH3-[CH2]6-CH3 IUPAC N-OCTANE PDBeChem Oktan NIST_Chemistry_WebBook n-Octane KEGG_COMPOUND n-Oktan ChEBI A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. 0 C9H11F2N3O4 InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 SDUQYLNIPVEERB-QPPQHZFASA-N 263.19810 263.07176 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 CHEBI:42752 CHEBI:5295 Beilstein:5382060 CAS:95058-81-4 DrugBank:DB00441 Drug_Central:1283 KEGG:C07650 KEGG:D02368 LINCS:LSM-5333 PDBeChem:GEO PMID:11034044 PMID:11061612 PMID:11088063 PMID:11122828 PMID:11132538 PMID:11142482 PMID:11221019 PMID:11356111 PMID:11374818 PMID:11489002 PMID:11504793 PMID:11510027 PMID:11585734 PMID:11595724 PMID:11807603 PMID:11859947 PMID:11901308 PMID:12057041 PMID:12057046 PMID:12057157 PMID:12115355 PMID:12142097 PMID:12520460 PMID:12571808 PMID:12722678 PMID:12722691 PMID:12743987 PMID:12761494 PMID:12798170 PMID:12917815 PMID:12954073 PMID:14606642 PMID:14653877 PMID:14720338 PMID:15131028 PMID:15160243 PMID:15221904 PMID:15282439 PMID:15297392 PMID:15542781 PMID:15637766 PMID:15744590 PMID:16001951 PMID:16041610 PMID:16080557 PMID:16143373 PMID:16149285 PMID:16317298 PMID:16500746 PMID:16555971 PMID:16584929 PMID:16807461 PMID:16807463 PMID:16894289 PMID:16905983 PMID:17101674 PMID:17296311 PMID:17296587 PMID:17347561 PMID:17429628 PMID:17460420 PMID:17602464 PMID:17639396 PMID:17887663 PMID:17939651 PMID:17941128 PMID:17987263 PMID:18035967 PMID:18050344 PMID:18086345 PMID:18166944 PMID:18186604 PMID:18257544 PMID:18348652 PMID:18773046 PMID:18789834 PMID:18819792 PMID:18981552 PMID:19034448 PMID:19177022 PMID:19399788 PMID:19839926 PMID:19879060 PMID:22763439 PMID:28594276 PMID:28608357 PMID:28912244 Patent:EP1939198 Patent:EP2108368 Patent:EP2275135 Patent:GB2136425 Patent:US2009124797 Patent:US2010111852 Patent:US4808614 Reaxys:5382060 Wikipedia:Gemcitabine 2'-deoxy-2',2'-difluorocytidine chebi_ontology 2',2'-Difluorodeoxycytidine 2'-Deoxy-2',2'-difluorocytidine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one gemcitabina gemcitabine gemcitabinum CHEBI:175901 gemcitabine Beilstein:5382060 Beilstein CAS:95058-81-4 ChemIDplus CAS:95058-81-4 DrugBank CAS:95058-81-4 KEGG COMPOUND CAS:95058-81-4 KEGG DRUG Drug_Central:1283 DrugCentral PMID:11034044 Europe PMC PMID:11061612 Europe PMC PMID:11088063 Europe PMC PMID:11122828 Europe PMC PMID:11132538 Europe PMC PMID:11142482 Europe PMC PMID:11221019 Europe PMC PMID:11356111 ChEMBL PMID:11374818 Europe PMC PMID:11489002 Europe PMC PMID:11504793 Europe PMC PMID:11510027 Europe PMC PMID:11585734 Europe PMC PMID:11595724 Europe PMC PMID:11807603 Europe PMC PMID:11859947 Europe PMC PMID:11901308 Europe PMC PMID:12057041 Europe PMC PMID:12057046 Europe PMC PMID:12057157 Europe PMC PMID:12115355 Europe PMC PMID:12142097 Europe PMC PMID:12520460 Europe PMC PMID:12571808 Europe PMC PMID:12722678 Europe PMC PMID:12722691 Europe PMC PMID:12743987 Europe PMC PMID:12761494 Europe PMC PMID:12798170 Europe PMC PMID:12917815 Europe PMC PMID:12954073 Europe PMC PMID:14606642 Europe PMC PMID:14653877 Europe PMC PMID:14720338 Europe PMC PMID:15131028 Europe PMC PMID:15160243 Europe PMC PMID:15221904 Europe PMC PMID:15282439 Europe PMC PMID:15297392 Europe PMC PMID:15542781 Europe PMC PMID:15637766 Europe PMC PMID:15744590 Europe PMC PMID:16001951 Europe PMC PMID:16041610 Europe PMC PMID:16080557 Europe PMC PMID:16143373 Europe PMC PMID:16149285 Europe PMC PMID:16317298 Europe PMC PMID:16500746 Europe PMC PMID:16555971 Europe PMC PMID:16584929 Europe PMC PMID:16807461 Europe PMC PMID:16807463 Europe PMC PMID:16894289 Europe PMC PMID:16905983 Europe PMC PMID:17101674 ChEMBL PMID:17296311 Europe PMC PMID:17296587 Europe PMC PMID:17347561 Europe PMC PMID:17429628 Europe PMC PMID:17460420 Europe PMC PMID:17602464 ChEMBL PMID:17639396 Europe PMC PMID:17887663 ChEMBL PMID:17939651 ChEMBL PMID:17941128 Europe PMC PMID:17987263 Europe PMC PMID:18035967 Europe PMC PMID:18050344 Europe PMC PMID:18086345 Europe PMC PMID:18166944 Europe PMC PMID:18186604 ChEMBL PMID:18257544 ChEMBL PMID:18348652 Europe PMC PMID:18773046 Europe PMC PMID:18789834 Europe PMC PMID:18819792 Europe PMC PMID:18981552 Europe PMC PMID:19034448 Europe PMC PMID:19177022 Europe PMC PMID:19399788 Europe PMC PMID:19839926 Europe PMC PMID:19879060 Europe PMC PMID:22763439 Europe PMC PMID:28594276 Europe PMC PMID:28608357 Europe PMC PMID:28912244 Europe PMC Reaxys:5382060 Reaxys 2'-deoxy-2',2'-difluorocytidine IUPAC 2',2'-Difluorodeoxycytidine ChemIDplus 2'-Deoxy-2',2'-difluorocytidine ChemIDplus 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one ChEMBL gemcitabina DrugBank gemcitabine KEGG_DRUG gemcitabinum DrugBank A glucooligosaccharide derived from glucose monomers linked via alpha-D-1,4 bonds as in maltose. The term is commonly applied to the series of linear oligosaccharides composed of two, three, four, five and six such units of glucose. CHEBI:11169 CHEBI:18926 CHEBI:543 CHEBI:64478 chebi_ontology (1->4)-alpha-D-glucooligosaccharides maltooligosaccharides CHEBI:17593 maltooligosaccharide (1->4)-alpha-D-glucooligosaccharides ChEBI maltooligosaccharides ChEBI A benzenediol comprising benzene core carrying two hydroxy substituents para to each other. 0 C6H6O2 InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N 110.11064 110.03678 Oc1ccc(O)cc1 CHEBI:14416 CHEBI:24645 CHEBI:5793 Beilstein:605970 CAS:123-31-9 Drug_Central:3282 Gmelin:2742 HMDB:HMDB0002434 KEGG:C00530 KEGG:C15603 KEGG:D00073 KNApSAcK:C00002656 MetaCyc:HYDROQUINONE PMID:11170505 PMID:12213471 PMID:1395635 PMID:15618234 PMID:15894107 PMID:1899343 PMID:19148301 PMID:24407054 PMID:24858384 PMID:25586344 PPDB:1503 Reaxys:605970 UM-BBD_compID:c0091 Wikipedia:Hydroquinone Hydroquinone benzene-1,4-diol hydroquinone chebi_ontology 1,4-Benzenediol 1,4-Dihydroxybenzene 4-Hydroxyphenol Benzene-1,4-diol Eldoquin Quinol p-Benzenediol p-Hydroquinone p-hydroxyphenol CHEBI:17594 hydroquinone hydroquinone An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. 0 C6H7NO InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 PLIKAWJENQZMHA-UHFFFAOYSA-N 109.12592 109.05276 Nc1ccc(O)cc1 CHEBI:12001 CHEBI:1856 CHEBI:20395 CHEBI:40037 Beilstein:385836 CAS:123-30-8 Gmelin:2926 HMDB:HMDB0001169 KEGG:C02372 MetaCyc:CPD-259 PDBeChem:4NL PMID:11304127 PMID:1395635 PMID:22770225 PMID:7179289 Reaxys:385836 UM-BBD_compID:c0090 Wikipedia:4-Aminophenol 4-AMINOPHENOL 4-Aminophenol 4-aminophenol chebi_ontology 4-Aminobenzenol 4-Hydroxyaniline p-Aminophenol p-hydroxyaniline CHEBI:17602 4-aminophenol Beilstein:385836 Beilstein CAS:123-30-8 ChemIDplus CAS:123-30-8 KEGG COMPOUND CAS:123-30-8 NIST Chemistry WebBook Gmelin:2926 Gmelin PMID:11304127 Europe PMC PMID:1395635 Europe PMC PMID:22770225 Europe PMC PMID:7179289 Europe PMC Reaxys:385836 Reaxys UM-BBD_compID:c0090 UM-BBD 4-AMINOPHENOL PDBeChem 4-Aminophenol KEGG_COMPOUND 4-aminophenol IUPAC 4-aminophenol UniProt 4-Aminobenzenol KEGG_COMPOUND 4-Hydroxyaniline KEGG_COMPOUND p-Aminophenol KEGG_COMPOUND p-hydroxyaniline NIST_Chemistry_WebBook Any D-aldose having a chain of six carbon atoms in the molecule. 0 C6H12O6 180.156 180.06339 CHEBI:12990 CHEBI:21038 chebi_ontology D-aldohexoses CHEBI:17608 D-aldohexose D-aldohexoses ChEBI A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. 0 C10H10O4 InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N 194.18400 194.05791 COc1cc(\C=C\C(O)=O)ccc1O CHEBI:14260 CHEBI:24030 CHEBI:42445 CHEBI:5046 CAS:1135-24-6 CAS:537-98-4 HMDB:HMDB0000954 KEGG:C01494 KNApSAcK:C00002743 MetaCyc:FERULIC-ACID PDBeChem:FER PMID:11041377 PMID:11982438 PMID:12529986 PMID:15162367 PMID:15309442 PMID:16011737 PMID:16185284 PMID:18582080 PMID:18651237 PMID:18707110 PMID:18795822 PMID:19594750 PMID:8821508 Reaxys:1570363 Wikipedia:Ferulic_Acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid Ferulic acid chebi_ontology (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (E)-4'-hydroxy-3'-methoxycinnamic acid (E)-4-Hydroxy-3-methoxycinnamic acid (E)-Ferulic acid 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-methoxy-4-hydroxy-trans-cinnamic acid 4-Hydroxy-3-methoxycinnamic acid 4-hydroxy-3-methoxycinnamic acid trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulic acid CHEBI:17620 ferulic acid CAS:1135-24-6 ChemIDplus CAS:1135-24-6 KEGG COMPOUND CAS:537-98-4 ChemIDplus CAS:537-98-4 KEGG COMPOUND CAS:537-98-4 NIST Chemistry WebBook PMID:11041377 Europe PMC PMID:11982438 Europe PMC PMID:12529986 Europe PMC PMID:15162367 Europe PMC PMID:15309442 Europe PMC PMID:16011737 Europe PMC PMID:16185284 Europe PMC PMID:18582080 Europe PMC PMID:18651237 Europe PMC PMID:18707110 Europe PMC PMID:18795822 Europe PMC PMID:19594750 Europe PMC PMID:8821508 Europe PMC Reaxys:1570363 Reaxys (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid IUPAC Ferulic acid KEGG_COMPOUND (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid NIST_Chemistry_WebBook (E)-4'-hydroxy-3'-methoxycinnamic acid NIST_Chemistry_WebBook (E)-4-Hydroxy-3-methoxycinnamic acid HMDB (E)-Ferulic acid ChemIDplus 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid NIST_Chemistry_WebBook 3-methoxy-4-hydroxy-trans-cinnamic acid ChEBI 4-Hydroxy-3-methoxycinnamic acid KEGG_COMPOUND 4-hydroxy-3-methoxycinnamic acid ChEBI trans-4-Hydroxy-3-methoxycinnamic acid ChemIDplus trans-Ferulic acid ChemIDplus A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3. -1 NO3 InChI=1S/NO3/c2-1(3)4/q-1 NHNBFGGVMKEFGY-UHFFFAOYSA-N 62.00490 61.98837 [O-][N+]([O-])=O CHEBI:14654 CHEBI:44487 CHEBI:71263 Beilstein:3587575 CAS:14797-55-8 Gmelin:1574 MetaCyc:NITRATE PDBeChem:NO3 Wikipedia:Nitrate nitrate trioxidonitrate(1-) trioxonitrate(1-) trioxonitrate(V) chebi_ontology NITRATE ION NO3 NO3(-) [NO3](-) nitrate(1-) CHEBI:17632 nitrate Beilstein:3587575 Beilstein CAS:14797-55-8 ChemIDplus CAS:14797-55-8 NIST Chemistry WebBook Gmelin:1574 Gmelin MetaCyc:NITRATE SUBMITTER nitrate IUPAC nitrate UniProt trioxidonitrate(1-) IUPAC trioxonitrate(1-) IUPAC trioxonitrate(V) IUPAC NITRATE ION PDBeChem NO3 ChEBI NO3(-) IUPAC [NO3](-) IUPAC nitrate(1-) ChemIDplus A glucose with D-configuration. dextrose http://langual.org 0 C6H12O6 180.15588 180.06339 CHEBI:12965 CHEBI:20999 CAS:50-99-7 http://www.langual.org/langual_thesaurus.asp?termid=C0222 D-gluco-hexose D-glucose chebi_ontology D(+)-glucose D-(+)-glucose Traubenzucker dextrose grape sugar glucose, d- CHEBI:17634 LanguaL term definition: Used when dextrose or a high dextrose sweetener, such as corn syrup or corn syrup solids, is the major ingredient. D-glucose CAS:50-99-7 ChemIDplus CAS:50-99-7 NIST Chemistry WebBook D-gluco-hexose IUPAC D-glucose IUPAC D(+)-glucose ChemIDplus D-(+)-glucose NIST_Chemistry_WebBook Traubenzucker ChemIDplus dextrose NIST_Chemistry_WebBook grape sugar ChemIDplus A chlorophenol that is phenol substituted by 5 chloro groups. 0 C6HCl5O InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H IZUPBVBPLAPZRR-UHFFFAOYSA-N 266.33504 263.84700 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl CHEBI:14745 CHEBI:25871 CHEBI:49821 CHEBI:7971 Beilstein:1285380 CAS:87-86-5 Gmelin:102794 HMDB:HMDB0041974 KEGG:C02575 KNApSAcK:C00007496 LINCS:LSM-37108 MetaCyc:PENTACHLOROPHENOL PDBeChem:PCI PMID:17497895 PMID:23636589 PMID:24123209 PPDB:513 Reaxys:1285380 UM-BBD_compID:c0326 Wikipedia:Pentachlorophenol PENTACHLOROPHENOL Pentachlorophenol pentachlorophenol chebi_ontology 2,3,4,5,6-pentachlorophenol PCP CHEBI:17642 pentachlorophenol Beilstein:1285380 ChemIDplus CAS:87-86-5 ChemIDplus CAS:87-86-5 KEGG COMPOUND CAS:87-86-5 NIST Chemistry WebBook Gmelin:102794 Gmelin PMID:17497895 Europe PMC PMID:23636589 Europe PMC PMID:24123209 Europe PMC Reaxys:1285380 Reaxys UM-BBD_compID:c0326 UM-BBD PENTACHLOROPHENOL PDBeChem Pentachlorophenol KEGG_COMPOUND pentachlorophenol IUPAC 2,3,4,5,6-pentachlorophenol NIST_Chemistry_WebBook PCP KEGG_COMPOUND Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. PMID:23372317 PMID:28580190 PMID:30885572 PMID:33144142 PMID:33973253 PMID:34606237 Wikipedia:Geroprotector chebi_ontology anti-aging agent anti-aging agents anti-aging drug anti-aging drugs geroprotective agent geroprotective agents geroprotectors CHEBI:176497 geroprotector PMID:23372317 Europe PMC PMID:28580190 Europe PMC PMID:30885572 Europe PMC PMID:33144142 Europe PMC PMID:33973253 Europe PMC PMID:34606237 Europe PMC anti-aging agent ChEBI anti-aging agents ChEBI anti-aging drug ChEBI anti-aging drugs ChEBI geroprotective agent ChEBI geroprotective agents ChEBI geroprotectors ChEBI A 17alpha-hydroxy-C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the "stress hormone" as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses 0 C21H30O5 InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N 362.45990 362.20932 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHEBI:14023 CHEBI:24633 CHEBI:3893 CHEBI:58221 Beilstein:1354819 CAS:50-23-7 DrugBank:DB00741 Drug_Central:1388 KEGG:C00735 KEGG:D00088 LINCS:LSM-5980 LIPID_MAPS_instance:LMST02030001 PDBeChem:HCY PMID:10438974 PMID:2268561 Patent:US2602769 Wikipedia:Hydrocortisone 11beta,17,21-trihydroxypregn-4-ene-3,20-dione Cortisol cortisol chebi_ontology (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione 11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione 11beta-hydrocortisone 17-hydroxycorticosterone 4-pregnen-11beta,17alpha,21-triol-3,20-dione Hydrocortisone Kendall's compound F Reichstein's substance M hidrocortisona hydrocortisone hydrocortisonum CHEBI:17650 cortisol Beilstein:1354819 Beilstein CAS:50-23-7 ChemIDplus CAS:50-23-7 KEGG COMPOUND CAS:50-23-7 NIST Chemistry WebBook Drug_Central:1388 DrugCentral LIPID_MAPS_instance:LMST02030001 LIPID MAPS PMID:10438974 Europe PMC PMID:2268561 Europe PMC 11beta,17,21-trihydroxypregn-4-ene-3,20-dione IUPAC Cortisol KEGG_COMPOUND cortisol UniProt (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione NIST_Chemistry_WebBook 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione KEGG_COMPOUND 11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione NIST_Chemistry_WebBook 11beta-hydrocortisone NIST_Chemistry_WebBook 17-hydroxycorticosterone ChemIDplus 4-pregnen-11beta,17alpha,21-triol-3,20-dione NIST_Chemistry_WebBook Hydrocortisone KEGG_COMPOUND Kendall's compound F KEGG_COMPOUND Reichstein's substance M KEGG_COMPOUND hidrocortisona ChemIDplus hydrocortisone ChemIDplus hydrocortisonum ChemIDplus A substance to which an electron may be transferred. CHEBI:14207 CHEBI:14716 CHEBI:7835 KEGG:C02177 electron acceptor chebi_ontology Elektronenakzeptor Oxidized donor CHEBI:17654 electron acceptor electron acceptor IUPAC Elektronenakzeptor ChEBI Oxidized donor KEGG_COMPOUND A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It is found naturally as a fermentation product of Streptomyces fradiae. 0 C46H77NO17 InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N 916.10010 915.51915 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC CHEBI:15275 CHEBI:27172 CHEBI:46150 CHEBI:9787 CAS:1401-69-0 HMDB:HMDB0034108 KEGG:C01457 KEGG:D02490 LIPID_MAPS_instance:LMPK04000004 MetaCyc:TYLOSIN PDBeChem:TYK PMID:18836909 PMID:23013044 PMID:23352520 PMID:23397987 PMID:23398744 PMID:23928021 PMID:23985521 PMID:24063615 PMID:24113548 PMID:24201036 PMID:24270892 PMID:24393633 PMID:7867337 Patent:US2004082524 Reaxys:4651020 Wikipedia:Tylosin Tylosin [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside chebi_ontology Tylan Tylocine Tylosin A tilosina tylosin tylosine tylosinum CHEBI:17658 tylosin CAS:1401-69-0 ChemIDplus CAS:1401-69-0 KEGG COMPOUND LIPID_MAPS_instance:LMPK04000004 LIPID MAPS PMID:18836909 Europe PMC PMID:23013044 Europe PMC PMID:23352520 Europe PMC PMID:23397987 Europe PMC PMID:23398744 Europe PMC PMID:23928021 Europe PMC PMID:23985521 Europe PMC PMID:24063615 Europe PMC PMID:24113548 Europe PMC PMID:24201036 Europe PMC PMID:24270892 Europe PMC PMID:24393633 Europe PMC PMID:7867337 Europe PMC Reaxys:4651020 Reaxys Tylosin KEGG_COMPOUND [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside IUPAC Tylan ChemIDplus Tylocine ChemIDplus Tylosin A ChemIDplus tilosina ChemIDplus tylosin ChemIDplus tylosine ChemIDplus tylosinum ChemIDplus Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. CHEBI:21241 PMCID:PMC8088531 PMID:21885436 PMID:33916257 PMID:34064549 Wikipedia:Vitamin_C Vitamin C chebi_ontology vitamin C vitamer vitamin C vitamers vitamina C vitamine C vitaminum C CHEBI:176783 Langual document note: DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF]. vitamin C PMCID:PMC8088531 Europe PMC PMID:21885436 Europe PMC PMID:33916257 Europe PMC PMID:34064549 Europe PMC Vitamin C ChEBI vitamin C vitamer ChEBI vitamin C vitamers ChEBI vitamina C ChEBI vitamine C ChEBI vitaminum C ChEBI Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). vitamin B2 chebi_ontology vitamin B-2 vitamins B2 vitamins B2 vitamer vitamins B2 vitamers CHEBI:176838 vitamin B2 vitamin B2 ChEBI vitamin B-2 ChEBI vitamins B2 ChEBI vitamins B2 vitamer ChEBI vitamins B2 vitamers ChEBI Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). vitamin B3 chebi_ontology vitamin B-3 vitamin B3 vitamer vitamin B3 vitamers vitamins B3 CHEBI:176839 vitamin B3 vitamin B3 vitamin B3 ChEBI vitamin B-3 ChEBI vitamin B3 vitamer ChEBI vitamin B3 vitamers ChEBI vitamins B3 ChEBI Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms. vitamin B5 chebi_ontology vitamin B-5 vitamin B5 vitamer vitamin B5 vitamers vitamins B5 CHEBI:176840 vitamin B5 vitamin B5 ChEBI vitamin B-5 ChEBI vitamin B5 vitamer ChEBI vitamin B5 vitamers ChEBI vitamins B5 ChEBI Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. vitamin B7 chebi_ontology vitamin B-7 vitamin B7 vitamer vitamin B7 vitamers vitamins B7 CHEBI:176841 vitamin B7 vitamin B7 vitamin B7 ChEBI vitamin B-7 ChEBI vitamin B7 vitamer ChEBI vitamin B7 vitamers ChEBI vitamins B7 ChEBI Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. vitamin B9 chebi_ontology folate vitamer folate vitamers vitamin B-9 vitamin B9 vitamer vitamin B9 vitamers vitamins B9 CHEBI:176842 vitamin B9 vitamin B9 vitamin B9 ChEBI folate vitamer ChEBI folate vitamers ChEBI vitamin B-9 ChEBI vitamin B9 vitamer ChEBI vitamin B9 vitamers ChEBI vitamins B9 ChEBI Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives). vitamin B12 chebi_ontology vitamin B-12 vitamin B12 vitamer vitamin B12 vitamers vitamins B12 CHEBI:176843 vitamin B12 vitamin B12 ChEBI vitamin B-12 ChEBI vitamin B12 vitamer ChEBI vitamin B12 vitamers ChEBI vitamins B12 ChEBI A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. 0 C10H14N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-N 162.232 162.11570 C=1C=C([C@]2(N(CCC2)C)[H])C=NC1 CHEBI:14653 CHEBI:25536 CHEBI:44268 CHEBI:7562 BPDB:485 Beilstein:3604351 Beilstein:82109 CAS:54-11-5 DrugBank:DB00184 Drug_Central:1920 HMDB:HMDB0001934 KEGG:C00745 KEGG:D03365 KNApSAcK:C00002057 LINCS:LSM-2093 MetaCyc:NICOTINE PDBeChem:NCT PMID:11209966 PMID:11322615 PMID:11406005 PMID:11719700 PMID:11768184 PMID:11821649 PMID:11851194 PMID:12575980 PMID:12692774 PMID:12769614 PMID:12850578 PMID:12971663 PMID:13590907 PMID:14674846 PMID:14761239 PMID:14975706 PMID:15019421 PMID:15027713 PMID:15251917 PMID:15276225 PMID:15380834 PMID:15502843 PMID:15527885 PMID:15707677 PMID:15734728 PMID:15826609 PMID:15894687 PMID:15902919 PMID:15960296 PMID:15963341 PMID:16059663 PMID:16212709 PMID:16333621 PMID:16370520 PMID:16496293 PMID:17023324 PMID:17206646 PMID:17292347 PMID:17350101 PMID:17498763 PMID:17504235 PMID:17525204 PMID:17560039 PMID:17683794 PMID:18380035 PMID:18383130 PMID:18490768 PMID:18683238 PMID:18685152 PMID:18805442 PMID:18922921 PMID:19100291 PMID:19100331 PMID:19287496 PMID:19389046 PMID:19448649 PMID:19465085 PMID:19850423 PMID:19954906 PMID:21521420 PMID:21636612 PMID:21822688 PMID:21945235 PMID:21947355 PMID:22030716 PMID:22129149 PMID:22218403 PMID:22265518 PMID:22331007 PMID:22377934 PMID:22459798 PMID:22529223 PMID:22530136 PMID:27951416 PMID:28187919 PMID:28391535 PMID:28574230 PMID:28641297 PMID:28678400 PMID:28683421 PMID:28686840 PMID:28698187 PMID:28700952 PMID:28704277 PMID:28710519 PMID:28711472 PMID:28714396 PMID:28718768 PMID:28718828 PMID:28726253 PMID:28735272 Reaxys:82109 Wikipedia:Nicotine (S)-Nicotine (S)-nicotine 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine chebi_ontology (-)-3-(1-Methyl-2-pyrrolidyl)pyridine (-)-3-(N-Methylpyrrolidino)pyridine (-)-nicotine (R)-3-(1-Methyl-2-pyrrolidinyl)pyridine (S)-(-)-nicotine (S)-3-(1-methylpyrrolidin-2-yl)pyridine (S)-3-(N-methylpyrrolidin-2-yl)pyridine 1-Methyl-2-(3-pyridyl)pyrrolidine 3-(1-Methyl-2-pyrollidinyl)pyridine 3-(1-Methylpyrrolidin-2-yl)pyridine 3-(2-(N-methylpyrrolidinyl))pyridine 3-(N-methylpyrollidino)pyridine L(-)-nicotine L-3-(1-Methyl-2-pyrrolidyl)pyridine L-Nicotine Nicotine CHEBI:17688 (S)-nicotine Beilstein:3604351 Beilstein Beilstein:3604351 Beilstein Beilstein:82109 Beilstein Beilstein:82109 Beilstein CAS:54-11-5 ChemIDplus CAS:54-11-5 KEGG COMPOUND CAS:54-11-5 NIST Chemistry WebBook CAS:54-11-5 ChemIDplus CAS:54-11-5 KEGG COMPOUND CAS:54-11-5 NIST Chemistry WebBook Drug_Central:1920 DrugCentral Drug_Central:1920 DrugCentral PMID:11209966 Europe PMC PMID:11209966 Europe PMC PMID:11322615 Europe PMC PMID:11322615 Europe PMC PMID:11406005 Europe PMC PMID:11406005 Europe PMC PMID:11719700 Europe PMC PMID:11719700 Europe PMC PMID:11768184 Europe PMC PMID:11768184 Europe PMC PMID:11821649 Europe PMC PMID:11821649 Europe PMC PMID:11851194 Europe PMC PMID:11851194 Europe PMC PMID:12575980 Europe PMC PMID:12575980 Europe PMC PMID:12692774 Europe PMC PMID:12692774 Europe PMC PMID:12769614 Europe PMC PMID:12769614 Europe PMC PMID:12850578 Europe PMC PMID:12850578 Europe PMC PMID:12971663 Europe PMC PMID:12971663 Europe PMC PMID:13590907 Europe PMC PMID:13590907 Europe PMC PMID:14674846 Europe PMC PMID:14674846 Europe PMC PMID:14761239 Europe PMC PMID:14761239 Europe PMC PMID:14975706 Europe PMC PMID:14975706 Europe PMC PMID:15019421 Europe PMC PMID:15019421 Europe PMC PMID:15027713 Europe PMC PMID:15027713 Europe PMC PMID:15251917 Europe PMC PMID:15251917 Europe PMC PMID:15276225 Europe PMC PMID:15276225 Europe PMC PMID:15380834 Europe PMC PMID:15380834 Europe PMC PMID:15502843 Europe PMC PMID:15502843 Europe PMC PMID:15527885 Europe PMC PMID:15527885 Europe PMC PMID:15707677 Europe PMC PMID:15707677 Europe PMC PMID:15734728 Europe PMC PMID:15734728 Europe PMC PMID:15826609 Europe PMC PMID:15826609 Europe PMC PMID:15894687 Europe PMC PMID:15894687 Europe PMC PMID:15902919 Europe PMC PMID:15902919 Europe PMC PMID:15960296 Europe PMC PMID:15960296 Europe PMC PMID:15963341 Europe PMC PMID:15963341 Europe PMC PMID:16059663 Europe PMC PMID:16059663 Europe PMC PMID:16212709 Europe PMC PMID:16212709 Europe PMC PMID:16333621 Europe PMC PMID:16333621 Europe PMC PMID:16370520 Europe PMC PMID:16370520 Europe PMC PMID:16496293 Europe PMC PMID:16496293 Europe PMC PMID:17023324 Europe PMC PMID:17023324 Europe PMC PMID:17206646 Europe PMC PMID:17206646 Europe PMC PMID:17292347 Europe PMC PMID:17292347 Europe PMC PMID:17350101 Europe PMC PMID:17350101 Europe PMC PMID:17498763 Europe PMC PMID:17498763 Europe PMC PMID:17504235 Europe PMC PMID:17504235 Europe PMC PMID:17525204 Europe PMC PMID:17525204 Europe PMC PMID:17560039 Europe PMC PMID:17560039 Europe PMC PMID:17683794 Europe PMC PMID:17683794 Europe PMC PMID:18380035 Europe PMC PMID:18380035 Europe PMC PMID:18383130 Europe PMC PMID:18383130 Europe PMC PMID:18490768 Europe PMC PMID:18490768 Europe PMC PMID:18683238 Europe PMC PMID:18683238 Europe PMC PMID:18685152 Europe PMC PMID:18685152 Europe PMC PMID:18805442 Europe PMC PMID:18805442 Europe PMC PMID:18922921 Europe PMC PMID:18922921 Europe PMC PMID:19100291 Europe PMC PMID:19100291 Europe PMC PMID:19100331 Europe PMC PMID:19100331 Europe PMC PMID:19287496 Europe PMC PMID:19287496 Europe PMC PMID:19389046 Europe PMC PMID:19389046 Europe PMC PMID:19448649 Europe PMC PMID:19448649 Europe PMC PMID:19465085 Europe PMC PMID:19465085 Europe PMC PMID:19850423 Europe PMC PMID:19850423 Europe PMC PMID:19954906 Europe PMC PMID:19954906 Europe PMC PMID:21521420 Europe PMC PMID:21521420 Europe PMC PMID:21636612 Europe PMC PMID:21636612 Europe PMC PMID:21822688 Europe PMC PMID:21822688 Europe PMC PMID:21945235 Europe PMC PMID:21945235 Europe PMC PMID:21947355 Europe PMC PMID:21947355 Europe PMC PMID:22030716 Europe PMC PMID:22030716 Europe PMC PMID:22129149 Europe PMC PMID:22129149 Europe PMC PMID:22218403 Europe PMC PMID:22218403 Europe PMC PMID:22265518 Europe PMC PMID:22265518 Europe PMC PMID:22331007 Europe PMC PMID:22331007 Europe PMC PMID:22377934 Europe PMC PMID:22377934 Europe PMC PMID:22459798 Europe PMC PMID:22459798 Europe PMC PMID:22529223 Europe PMC PMID:22529223 Europe PMC PMID:22530136 Europe PMC PMID:22530136 Europe PMC PMID:27951416 Europe PMC PMID:27951416 Europe PMC PMID:28187919 Europe PMC PMID:28187919 Europe PMC PMID:28391535 Europe PMC PMID:28391535 Europe PMC PMID:28574230 Europe PMC PMID:28574230 Europe PMC PMID:28641297 Europe PMC PMID:28641297 Europe PMC PMID:28678400 Europe PMC PMID:28678400 Europe PMC PMID:28683421 Europe PMC PMID:28683421 Europe PMC PMID:28686840 Europe PMC PMID:28686840 Europe PMC PMID:28698187 Europe PMC PMID:28698187 Europe PMC PMID:28700952 Europe PMC PMID:28700952 Europe PMC PMID:28704277 Europe PMC PMID:28704277 Europe PMC PMID:28710519 Europe PMC PMID:28710519 Europe PMC PMID:28711472 Europe PMC PMID:28711472 Europe PMC PMID:28714396 Europe PMC PMID:28714396 Europe PMC PMID:28718768 Europe PMC PMID:28718768 Europe PMC PMID:28718828 Europe PMC PMID:28718828 Europe PMC PMID:28726253 Europe PMC PMID:28726253 Europe PMC PMID:28735272 Europe PMC PMID:28735272 Europe PMC Reaxys:82109 Reaxys Reaxys:82109 Reaxys (S)-Nicotine KEGG_COMPOUND (S)-nicotine ChemIDplus 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine IUPAC (-)-3-(1-Methyl-2-pyrrolidyl)pyridine HMDB (-)-3-(N-Methylpyrrolidino)pyridine HMDB (-)-nicotine ChemIDplus (R)-3-(1-Methyl-2-pyrrolidinyl)pyridine HMDB (S)-(-)-nicotine NIST_Chemistry_WebBook (S)-3-(1-methylpyrrolidin-2-yl)pyridine KEGG_COMPOUND (S)-3-(N-methylpyrrolidin-2-yl)pyridine IUBMB 1-Methyl-2-(3-pyridyl)pyrrolidine HMDB 3-(1-Methyl-2-pyrollidinyl)pyridine HMDB 3-(1-Methylpyrrolidin-2-yl)pyridine HMDB 3-(2-(N-methylpyrrolidinyl))pyridine NIST_Chemistry_WebBook 3-(N-methylpyrollidino)pyridine NIST_Chemistry_WebBook L(-)-nicotine IUBMB L-3-(1-Methyl-2-pyrrolidyl)pyridine HMDB L-Nicotine HMDB Nicotine HMDB Nicotine KEGG_COMPOUND An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. 0 C11H12Cl2N2O5 InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 WIIZWVCIJKGZOK-RKDXNWHRSA-N 323.130 322.01233 C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O CHEBI:13965 CHEBI:23106 CHEBI:23108 CHEBI:3603 CHEBI:47327 Beilstein:2225532 CAS:56-75-7 Chemspider:5744 DrugBank:DB00446 Drug_Central:589 HMDB:HMDB0014589 KEGG:C00918 KEGG:D00104 LINCS:LSM-5256 MetaCyc:CHLORAMPHENICOL PDBeChem:CLM PMID:11468347 PMID:12217690 PMID:16659995 PMID:16897441 PMID:17217404 PMID:17692887 PMID:17963326 PMID:18559535 PMID:18657290 PMID:18794387 PMID:23142491 PMID:23317719 PMID:23395526 PMID:23494278 PMID:23512826 PMID:23698443 PMID:657786 PMID:6653106 PMID:7040026 Patent:GB795131 Patent:GB796901 Patent:US2483871 Patent:US2483884 Patent:US2483892 Patent:US2839577 Pesticides:chloramphenicol VSDB:1835 Wikipedia:Chloramphenicol 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide CHLORAMPHENICOL Chloramphenicol chloramphenicol chebi_ontology (-)-chloramphenicol Amphicol Chloramex Chlorocid Chlorocol Chloromycetin D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol Econochlor Fenicol Globenicol Halomycetin Oleomycetin Sificetina chloramphenicol chloramphenicolum chlornitromycin cloramfenicol laevomycetinum levomicetina levomycetin CHEBI:17698 chloramphenicol Beilstein:2225532 Beilstein CAS:56-75-7 ChemIDplus CAS:56-75-7 NIST Chemistry WebBook Drug_Central:589 DrugCentral PMID:11468347 Europe PMC PMID:12217690 Europe PMC PMID:16659995 Europe PMC PMID:16897441 Europe PMC PMID:17217404 Europe PMC PMID:17692887 Europe PMC PMID:17963326 Europe PMC PMID:18559535 Europe PMC PMID:18657290 Europe PMC PMID:18794387 Europe PMC PMID:23142491 Europe PMC PMID:23317719 Europe PMC PMID:23395526 Europe PMC PMID:23494278 Europe PMC PMID:23512826 Europe PMC PMID:23698443 Europe PMC PMID:657786 Europe PMC PMID:6653106 Europe PMC PMID:7040026 Europe PMC Pesticides:chloramphenicol Alan Wood's Pesticides 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide IUPAC CHLORAMPHENICOL PDBeChem Chloramphenicol KEGG_COMPOUND chloramphenicol UniProt (-)-chloramphenicol ChEBI Amphicol KEGG_DRUG Chloramex ChemIDplus Chlorocid ChemIDplus Chlorocol ChemIDplus Chloromycetin ChemIDplus D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide ChemIDplus D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol ChemIDplus Econochlor KEGG_DRUG Fenicol ChemIDplus Globenicol ChemIDplus Halomycetin ChemIDplus Oleomycetin ChemIDplus Sificetina ChemIDplus chloramphenicol WHO_MedNet chloramphenicolum WHO_MedNet chlornitromycin ChEBI cloramfenicol WHO_MedNet laevomycetinum ChemIDplus levomicetina ChemIDplus levomycetin ChemIDplus A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1 GUBGYTABKSRVRQ-QKKXKWKRSA-N 342.297 342.11621 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O CHEBI:10296 CHEBI:10380 CHEBI:14497 CHEBI:22460 CHEBI:22760 CHEBI:25005 CHEBI:27755 CHEBI:613009 Beilstein:1292745 CAS:63-42-3 GlyGen:G74621DY GlyTouCan:G74621DY Gmelin:882872 KEGG:C00243 KEGG:D00046 KEGG:G10504 KNApSAcK:C00001136 PMID:1292745 PMID:17329833 PMID:18300214 PMID:19053747 PMID:19846069 PMID:19913595 PMID:20094999 PMID:20503067 PMID:20699559 PMID:20873837 PMID:20961532 PMID:21403918 PMID:2432147 PMID:2456994 PMID:28690131 PMID:28807538 PMID:6194884 PMID:7574700 Reaxys:1292745 beta-D-galactopyranosyl-(1->4)-D-glucopyranose lactose chebi_ontology (+)-lactose (Gal)1 (Glc)1 1-beta-D-Galactopyranosyl-4-D-glucopyranose 4-(beta-D-galactosido)-D-glucose 4-O-beta-D-galactopyranosyl-D-glucose D-lactose Galbeta1-4Glc Lac Laktobiose Laktose Milchzucker Milk sugar WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1 beta-D-Gal-(1->4)-D-Glc beta-D-Galp-(1->4)-D-Glcp beta-Gal1,4-Glc lactobiose milk sugar CHEBI:17716 lactose Beilstein:1292745 Beilstein CAS:63-42-3 ChemIDplus CAS:63-42-3 KEGG COMPOUND CAS:63-42-3 NIST Chemistry WebBook Gmelin:882872 Gmelin PMID:1292745 Europe PMC PMID:17329833 Europe PMC PMID:18300214 Europe PMC PMID:19053747 ChEMBL PMID:19846069 Europe PMC PMID:19913595 Europe PMC PMID:20094999 Europe PMC PMID:20503067 Europe PMC PMID:20699559 Europe PMC PMID:20873837 Europe PMC PMID:20961532 Europe PMC PMID:21403918 Europe PMC PMID:2432147 Europe PMC PMID:2456994 Europe PMC PMID:28690131 Europe PMC PMID:28807538 Europe PMC PMID:6194884 Europe PMC PMID:7574700 Europe PMC Reaxys:1292745 Reaxys beta-D-galactopyranosyl-(1->4)-D-glucopyranose IUPAC lactose UniProt (+)-lactose NIST_Chemistry_WebBook (Gal)1 (Glc)1 KEGG_GLYCAN 1-beta-D-Galactopyranosyl-4-D-glucopyranose KEGG_COMPOUND 4-(beta-D-galactosido)-D-glucose NIST_Chemistry_WebBook 4-O-beta-D-galactopyranosyl-D-glucose IUPAC D-lactose ChemIDplus Galbeta1-4Glc ChEBI Lac JCBN Laktobiose ChEBI Laktose ChEBI Milchzucker ChEBI Milk sugar KEGG_COMPOUND WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1 GlyTouCan beta-D-Gal-(1->4)-D-Glc KEGG_COMPOUND beta-D-Galp-(1->4)-D-Glcp IUPAC beta-Gal1,4-Glc ChEBI lactobiose NIST_Chemistry_WebBook milk sugar NIST_Chemistry_WebBook A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. 0 C3H7NO InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 ZMXDDKWLCZADIW-UHFFFAOYSA-N 73.09382 73.05276 [H]C(=O)N(C)C CHEBI:12425 CHEBI:21454 CHEBI:42077 CHEBI:7076 CAS:68-12-2 DrugBank:DB01844 HMDB:HMDB0001888 KEGG:C03134 MetaCyc:CPD-581 PDBeChem:DMF PMID:18666198 PMID:19608215 PMID:23313473 PMID:3824392 Reaxys:605365 Wikipedia:Dimethylformamide N,N-Dimethylformamide N,N-dimethylformamide chebi_ontology DMF Dimethylformamide N,N-Dimethylmethanamide N-Formyldimethylamine CHEBI:17741 N,N-dimethylformamide CAS:68-12-2 ChemIDplus CAS:68-12-2 KEGG COMPOUND CAS:68-12-2 NIST Chemistry WebBook PMID:18666198 Europe PMC PMID:19608215 Europe PMC PMID:23313473 Europe PMC PMID:3824392 Europe PMC Reaxys:605365 Reaxys N,N-Dimethylformamide KEGG_COMPOUND N,N-dimethylformamide IUPAC N,N-dimethylformamide UniProt DMF KEGG_COMPOUND Dimethylformamide ChemIDplus N,N-Dimethylmethanamide KEGG_COMPOUND N-Formyldimethylamine NIST_Chemistry_WebBook A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. 0 C24H38O4 InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 BJQHLKABXJIVAM-UHFFFAOYSA-N 390.55612 390.27701 CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC CHEBI:13911 CHEBI:22889 CHEBI:3116 Beilstein:1890696 CAS:117-81-7 KEGG:C03690 MetaCyc:BIS2-ETHYLHEXYLPHTHALATE PMID:12963402 PMID:16874505 PMID:17286146 PMID:19211671 PMID:19840837 PMID:28199414 PMID:28763719 Reaxys:1890696 Wikipedia:Bis(2-ethylhexyl)_phthalate bis(2-ethylhexyl) benzene-1,2-dicarboxylate chebi_ontology 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester 2-Ethylhexyl phthalate Bis(2-ethylhexyl) o-phthalate Bis(2-ethylhexyl)phthalate Bis(ethylhexyl) phthalate DEHP Di(2-ethylhexyl) o-phthalate Di(2-ethylhexyl)orthophthalate Di(2-ethylhexyl)phthalate Di(ethylhexyl) phthalate Di-sec-octyl phthalate Diethylhexyl phthalate Dioctyl phthalate Octyl phthalate Phthalic acid bis(2-ethylhexyl) ester Phthalic acid di(2-ethylhexyl) ester bis(2-ethylhexyl)phthalate di-iso-Octyl phthalate CHEBI:17747 bis(2-ethylhexyl) phthalate Beilstein:1890696 Beilstein CAS:117-81-7 ChemIDplus CAS:117-81-7 KEGG COMPOUND CAS:117-81-7 NIST Chemistry WebBook PMID:12963402 Europe PMC PMID:16874505 Europe PMC PMID:17286146 Europe PMC PMID:19211671 Europe PMC PMID:19840837 Europe PMC PMID:28199414 Europe PMC PMID:28763719 Europe PMC Reaxys:1890696 Reaxys bis(2-ethylhexyl) benzene-1,2-dicarboxylate IUPAC 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester NIST_Chemistry_WebBook 2-Ethylhexyl phthalate NIST_Chemistry_WebBook Bis(2-ethylhexyl) o-phthalate NIST_Chemistry_WebBook Bis(2-ethylhexyl)phthalate KEGG_COMPOUND Bis(ethylhexyl) phthalate NIST_Chemistry_WebBook DEHP ChemIDplus DEHP KEGG_COMPOUND Di(2-ethylhexyl) o-phthalate NIST_Chemistry_WebBook Di(2-ethylhexyl)orthophthalate NIST_Chemistry_WebBook Di(2-ethylhexyl)phthalate ChemIDplus Di(2-ethylhexyl)phthalate KEGG_COMPOUND Di(ethylhexyl) phthalate NIST_Chemistry_WebBook Di-sec-octyl phthalate ChemIDplus Di-sec-octyl phthalate NIST_Chemistry_WebBook Diethylhexyl phthalate ChemIDplus Dioctyl phthalate KEGG_COMPOUND Octyl phthalate NIST_Chemistry_WebBook Phthalic acid bis(2-ethylhexyl) ester NIST_Chemistry_WebBook Phthalic acid di(2-ethylhexyl) ester NIST_Chemistry_WebBook bis(2-ethylhexyl)phthalate UniProt di-iso-Octyl phthalate NIST_Chemistry_WebBook A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. glycerol http://langual.org 0 C3H8O3 InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 PEDCQBHIVMGVHV-UHFFFAOYSA-N 92.09382 92.04734 OCC(O)CO CHEBI:131422 CHEBI:14334 CHEBI:24351 CHEBI:42998 CHEBI:5448 Beilstein:635685 CAS:56-81-5 Chemspider:733 Codex::422 DrugBank:DB04077 Drug_Central:1316 ECMDB:ECMDB00131 Europe::422 FooDB:FDB000756 Gmelin:26279 HMDB:HMDB0000131 KEGG:C00116 KEGG:D00028 KNApSAcK:C00001163 LINCS:LSM-37180 MetaCyc:GLYCEROL PDB:2AJS PDB:2D03 PDBeChem:GOL PMID:11302662 PMID:11958517 PMID:11994365 PMID:12672239 PMID:12687625 PMID:12689633 PMID:12713573 PMID:14559393 PMID:14563847 PMID:15026783 PMID:15342117 PMID:15786693 PMID:15983192 PMID:16244855 PMID:16258193 PMID:16319039 PMID:16349488 PMID:16475911 PMID:16651733 PMID:16664750 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17979222 PMID:19184438 PMID:19231894 PMID:19460032 PMID:19548674 PMID:19795216 PMID:19956799 PMID:22705534 PMID:23562176 PMID:23747440 PMID:24643482 PMID:24835191 PMID:25108762 PMID:558160 PMID:6299616 PMID:7031247 PMID:7392035 PPDB:1317 Reaxys:635685 UM-BBD_compID:c0066 Wikipedia:Glycerol YMDB:YMDB00283 http://www.langual.org/langual_thesaurus.asp?termid=B3107 GLYCEROL Glycerol glycerol propane-1,2,3-triol chebi_ontology 1,2,3-Propanetriol 1,2,3-Trihydroxypropane Glycerin Glyceritol Glyzerin Gro Oelsuess Propanetriol Trihydroxypropane glycerine glycerol glycerolum glycyl alcohol CHEBI:17754 glycerol glycerol Beilstein:635685 Beilstein CAS:56-81-5 ChemIDplus CAS:56-81-5 KEGG COMPOUND CAS:56-81-5 NIST Chemistry WebBook Drug_Central:1316 DrugCentral Gmelin:26279 Gmelin PMID:11302662 Europe PMC PMID:11958517 Europe PMC PMID:11994365 Europe PMC PMID:12672239 ChEMBL PMID:12687625 Europe PMC PMID:12689633 Europe PMC PMID:12713573 Europe PMC PMID:14559393 Europe PMC PMID:14563847 Europe PMC PMID:15026783 Europe PMC PMID:15342117 Europe PMC PMID:15786693 Europe PMC PMID:15983192 Europe PMC PMID:16244855 Europe PMC PMID:16258193 Europe PMC PMID:16319039 Europe PMC PMID:16349488 Europe PMC PMID:16475911 Europe PMC PMID:16651733 Europe PMC PMID:16664750 Europe PMC PMID:16901854 Europe PMC PMID:17336832 Europe PMC PMID:17439666 Europe PMC PMID:17979222 Europe PMC PMID:19184438 Europe PMC PMID:19231894 Europe PMC PMID:19460032 Europe PMC PMID:19548674 Europe PMC PMID:19795216 Europe PMC PMID:19956799 Europe PMC PMID:22705534 Europe PMC PMID:23562176 Europe PMC PMID:23747440 Europe PMC PMID:24643482 Europe PMC PMID:24835191 Europe PMC PMID:25108762 Europe PMC PMID:558160 Europe PMC PMID:6299616 Europe PMC PMID:7031247 ChEMBL PMID:7392035 ChEMBL Reaxys:635685 Reaxys UM-BBD_compID:c0066 UM-BBD GLYCEROL PDBeChem Glycerol KEGG_COMPOUND glycerol ChEBI glycerol UniProt propane-1,2,3-triol IUPAC 1,2,3-Propanetriol KEGG_COMPOUND 1,2,3-Trihydroxypropane KEGG_COMPOUND Glycerin KEGG_COMPOUND Glyceritol HMDB Glyzerin ChEBI Gro JCBN Oelsuess ChEBI Propanetriol HMDB Trihydroxypropane HMDB glycerine ChEBI glycerol ChemIDplus glycerolum ChemIDplus glycyl alcohol NIST_Chemistry_WebBook A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. 0 C12H10N4O2 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N 242.23356 242.08038 Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C CHEBI:14534 CHEBI:25080 CHEBI:43772 CHEBI:6561 Beilstein:226631 CAS:1086-80-2 DrugBank:DB04345 KEGG:C01727 KNApSAcK:C00030694 MetaCyc:CPD-605 PDBeChem:LUM PMID:15819908 PMID:21126007 PMID:22953948 PMID:24001807 PMID:24451190 PMID:24643482 Reaxys:226631 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione LUMICHROME Lumichrome lumichrome chebi_ontology 7,8-Dimethylalloxazine CHEBI:17781 lumichrome Beilstein:226631 Beilstein CAS:1086-80-2 ChemIDplus CAS:1086-80-2 KEGG COMPOUND CAS:1086-80-2 NIST Chemistry WebBook PMID:15819908 Europe PMC PMID:21126007 Europe PMC PMID:22953948 Europe PMC PMID:24001807 Europe PMC PMID:24451190 Europe PMC PMID:24643482 Europe PMC Reaxys:226631 Reaxys 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione IUPAC LUMICHROME PDBeChem Lumichrome KEGG_COMPOUND lumichrome UniProt 7,8-Dimethylalloxazine KEGG_COMPOUND The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. 0 CH4O InChI=1S/CH4O/c1-2/h2H,1H3 OKKJLVBELUTLKV-UHFFFAOYSA-N 32.04186 32.02621 CO CHEBI:14588 CHEBI:25227 CHEBI:44080 CHEBI:44553 CHEBI:6816 Beilstein:1098229 CAS:67-56-1 Gmelin:449 HMDB:HMDB0001875 KEGG:C00132 KEGG:D02309 MetaCyc:METOH PDBeChem:MOH PMID:11141607 PMID:11430978 PMID:11489599 PMID:11680737 PMID:11684179 PMID:14012711 PMID:14678513 PMID:14760634 PMID:15172721 PMID:15906011 PMID:16705261 PMID:17451998 PMID:17733096 PMID:19064074 PMID:19850112 PMID:20314698 Reaxys:1098229 UM-BBD_compID:c0132 Wikipedia:Methanol METHANOL Methanol methanol chebi_ontology CH3OH MeOH Methyl alcohol Methylalkohol carbinol spirit of wood wood alcohol wood naphtha wood spirit CHEBI:17790 methanol Beilstein:1098229 Beilstein Beilstein:1098229 Beilstein CAS:67-56-1 ChemIDplus CAS:67-56-1 KEGG COMPOUND CAS:67-56-1 NIST Chemistry WebBook CAS:67-56-1 ChemIDplus CAS:67-56-1 KEGG COMPOUND CAS:67-56-1 NIST Chemistry WebBook Gmelin:449 Gmelin Gmelin:449 Gmelin PMID:11141607 Europe PMC PMID:11141607 Europe PMC PMID:11430978 Europe PMC PMID:11430978 Europe PMC PMID:11489599 Europe PMC PMID:11489599 Europe PMC PMID:11680737 Europe PMC PMID:11680737 Europe PMC PMID:11684179 Europe PMC PMID:11684179 Europe PMC PMID:14012711 Europe PMC PMID:14012711 Europe PMC PMID:14678513 Europe PMC PMID:14678513 Europe PMC PMID:14760634 Europe PMC PMID:14760634 Europe PMC PMID:15172721 Europe PMC PMID:15172721 Europe PMC PMID:15906011 Europe PMC PMID:15906011 Europe PMC PMID:16705261 Europe PMC PMID:16705261 Europe PMC PMID:17451998 Europe PMC PMID:17451998 Europe PMC PMID:17733096 Europe PMC PMID:17733096 Europe PMC PMID:19064074 Europe PMC PMID:19064074 Europe PMC PMID:19850112 Europe PMC PMID:19850112 Europe PMC PMID:20314698 Europe PMC PMID:20314698 Europe PMC Reaxys:1098229 Reaxys Reaxys:1098229 Reaxys UM-BBD_compID:c0132 UM-BBD UM-BBD_compID:c0132 UM-BBD METHANOL PDBeChem Methanol KEGG_COMPOUND methanol IUPAC methanol UniProt CH3OH ChEBI MeOH ChEBI Methyl alcohol KEGG_COMPOUND Methylalkohol NIST_Chemistry_WebBook carbinol ChemIDplus spirit of wood HMDB wood alcohol ChemIDplus wood naphtha ChemIDplus wood spirit NIST_Chemistry_WebBook 0 C18H24O InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3 HJKVPZJVBHWFCQ-UHFFFAOYSA-N 256.389 256.18272 C1=C2C(CCC3C4CCCC4(CCC32)C)=CC(=C1)O KEGG:C02453 MetaCyc:PHENOLIC-STEROID chebi_ontology a phenolic steroid CHEBI:177917 phenolic steroid KEGG:C02453 SUBMITTER MetaCyc:PHENOLIC-STEROID SUBMITTER a phenolic steroid UniProt A compound containing at least one carbon-halogen bond (where X is a halogen atom). 0 RX ** CHEBI:13444 CHEBI:36684 CHEBI:8767 KEGG:C01322 MetaCyc:Organohalogen-Compounds chebi_ontology RX organic halide organic halides organohalogen compounds CHEBI:17792 organohalogen compound RX KEGG_COMPOUND RX UniProt organic halide KEGG_COMPOUND organic halides ChEBI organohalogen compounds ChEBI A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. 0 C3H8O InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 KFZMGEQAYNKOFK-UHFFFAOYSA-N 60.09502 60.05751 CC(C)O CHEBI:14897 CHEBI:26280 CHEBI:43588 CHEBI:8467 Beilstein:635639 CAS:67-63-0 DrugBank:DB04402 Drug_Central:4215 Gmelin:1464 HMDB:HMDB0000863 KEGG:C01845 KEGG:D00137 KNApSAcK:C00048438 MetaCyc:ISO-PROPANOL PDBeChem:IPA PMID:24524727 PMID:24653974 Reaxys:635639 UM-BBD_compID:c0519 Wikipedia:Isopropyl_Alcohol YMDB:YMDB01718 Propan-2-ol propan-2-ol chebi_ontology 1-methylethanol 1-methylethyl alcohol 2-Propanol 2-hydroxypropane IPA ISOPROPYL ALCOHOL Isopropanol Isopropyl alcohol Isopropylalkohol i-Propylalkohol i-propanol isopropyl alcohol sec-propanol CHEBI:17824 propan-2-ol Beilstein:635639 Beilstein CAS:67-63-0 ChemIDplus CAS:67-63-0 KEGG COMPOUND CAS:67-63-0 NIST Chemistry WebBook Drug_Central:4215 DrugCentral Gmelin:1464 Gmelin PMID:24524727 Europe PMC PMID:24653974 Europe PMC Reaxys:635639 Reaxys UM-BBD_compID:c0519 UM-BBD Propan-2-ol KEGG_COMPOUND propan-2-ol IUPAC propan-2-ol UniProt 1-methylethanol ChemIDplus 1-methylethyl alcohol ChemIDplus 2-Propanol KEGG_COMPOUND 2-hydroxypropane ChemIDplus IPA NIST_Chemistry_WebBook ISOPROPYL ALCOHOL PDBeChem Isopropanol KEGG_COMPOUND Isopropyl alcohol KEGG_COMPOUND Isopropylalkohol ChEBI i-Propylalkohol NIST_Chemistry_WebBook i-propanol NIST_Chemistry_WebBook isopropyl alcohol ChemIDplus sec-propanol NIST_Chemistry_WebBook An aminobiphenyl that is biphenyl substituted by an amino group at position 4. 0 C12H11N InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2 DMVOXQPQNTYEKQ-UHFFFAOYSA-N 169.22248 169.08915 Nc1ccc(cc1)-c1ccccc1 Beilstein:386533 CAS:92-67-1 Gmelin:365629 HMDB:HMDB0013195 KEGG:C10998 PMID:12778203 PMID:15880493 PMID:20433335 PMID:841184 PMID:8847111 Reaxys:386533 Wikipedia:4-Aminobiphenyl [1,1'-biphenyl]-4-amine chebi_ontology 4-Aminobiphenyl 4-amino-1,1'-biphenyl 4-aminodiphenyl 4-biphenylamine biphenyl-4-ylamine p-aminodiphenyl p-biphenylamine p-phenylaniline p-xenylamine paraaminodiphenyl CHEBI:1784 biphenyl-4-amine Beilstein:386533 Beilstein CAS:92-67-1 ChemIDplus CAS:92-67-1 KEGG COMPOUND CAS:92-67-1 NIST Chemistry WebBook Gmelin:365629 Gmelin PMID:12778203 Europe PMC PMID:15880493 Europe PMC PMID:20433335 Europe PMC PMID:841184 Europe PMC PMID:8847111 Europe PMC Reaxys:386533 Reaxys [1,1'-biphenyl]-4-amine IUPAC 4-Aminobiphenyl KEGG_COMPOUND 4-amino-1,1'-biphenyl ChemIDplus 4-aminodiphenyl ChemIDplus 4-biphenylamine ChemIDplus biphenyl-4-ylamine NIST_Chemistry_WebBook p-aminodiphenyl NIST_Chemistry_WebBook p-biphenylamine ChemIDplus p-phenylaniline NIST_Chemistry_WebBook p-xenylamine ChemIDplus paraaminodiphenyl NIST_Chemistry_WebBook A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. 0 C7H8O InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 IWDCLRJOBJJRNH-UHFFFAOYSA-N 108.13782 108.05751 Cc1ccc(O)cc1 CHEBI:11981 CHEBI:1816 CHEBI:20352 CHEBI:44726 Beilstein:1305151 CAS:106-44-5 DrugBank:DB01688 Gmelin:2779 HMDB:HMDB0001858 KEGG:C01468 KNApSAcK:C00002645 MetaCyc:CPD-108 PDBeChem:PCR PMID:12427124 PMID:17660685 Reaxys:1305151 UM-BBD_compID:c0127 Wikipedia:P-cresol 4-methylphenol P-CRESOL p-Cresol chebi_ontology 1-hydroxy-4-methylbenzene 4-Cresol 4-Hydroxytoluene 4-Methylphenol 4-methylphenol p-Kresol p-methylphenol p-tolyl alcohol paracresol CHEBI:17847 p-cresol Beilstein:1305151 Beilstein CAS:106-44-5 ChemIDplus CAS:106-44-5 KEGG COMPOUND CAS:106-44-5 NIST Chemistry WebBook Gmelin:2779 Gmelin PMID:12427124 Europe PMC PMID:17660685 Europe PMC Reaxys:1305151 Reaxys UM-BBD_compID:c0127 UM-BBD 4-methylphenol IUPAC P-CRESOL PDBeChem p-Cresol KEGG_COMPOUND 1-hydroxy-4-methylbenzene NIST_Chemistry_WebBook 4-Cresol KEGG_COMPOUND 4-Hydroxytoluene KEGG_COMPOUND 4-Methylphenol KEGG_COMPOUND 4-methylphenol UniProt p-Kresol NIST_Chemistry_WebBook p-methylphenol NIST_Chemistry_WebBook p-tolyl alcohol ChemIDplus paracresol NIST_Chemistry_WebBook A cyclic ketone that consists of cyclohexane bearing a single oxo substituent. 0 C6H10O InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 JHIVVAPYMSGYDF-UHFFFAOYSA-N 98.14300 98.07316 O=C1CCCCC1 CHEBI:14052 CHEBI:23481 CHEBI:4014 CHEBI:41770 CAS:108-94-1 DrugBank:DB02060 HMDB:HMDB0003315 KEGG:C00414 MetaCyc:CYCLOHEXANONE PDBeChem:CYH PMID:20928898 PMID:21556397 PMID:21647476 PMID:21766129 PMID:7814101 PPDB:1308 Patent:GB310055 Patent:US2223493 Patent:US2223494 Patent:US2285914 Reaxys:385735 UM-BBD_compID:c0195 Wikipedia:Cyclohexanone CYCLOHEXANONE Cyclohexanone cyclohexanone chebi_ontology Cyclohexyl ketone Ketocyclohexane Ketohexamethylene Oxocyclohexane CHEBI:17854 cyclohexanone CAS:108-94-1 ChemIDplus CAS:108-94-1 KEGG COMPOUND CAS:108-94-1 NIST Chemistry WebBook PMID:20928898 Europe PMC PMID:21556397 Europe PMC PMID:21647476 Europe PMC PMID:21766129 Europe PMC PMID:7814101 Europe PMC Reaxys:385735 Reaxys UM-BBD_compID:c0195 UM-BBD CYCLOHEXANONE PDBeChem Cyclohexanone KEGG_COMPOUND cyclohexanone IUPAC cyclohexanone UniProt Cyclohexyl ketone ChemIDplus Ketocyclohexane HMDB Ketohexamethylene ChemIDplus Oxocyclohexane HMDB Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids. 0 C6H5O6R3 173.10030 173.00861 [*]C(=O)OCC(COC([*])=O)OC([*])=O CHEBI:15255 CHEBI:27085 CHEBI:9664 KEGG:C00422 LIPID_MAPS_class:LMGL0301 PMID:2474544 Triglyceride triglycerides chebi_ontology Triacylglycerol Triglycerid Triglyzerid a triacylglycerol triacylglycerols triglycerides CHEBI:17855 triglyceride triglyceride LIPID_MAPS_class:LMGL0301 LIPID MAPS PMID:2474544 Europe PMC Triglyceride KEGG_COMPOUND triglycerides IUPAC Triacylglycerol KEGG_COMPOUND Triglycerid ChEBI Triglyzerid ChEBI a triacylglycerol UniProt triacylglycerols LIPID_MAPS triglycerides ChEBI A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid. -1 C6H9O3 InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 BKAJNAXTPSGJCU-UHFFFAOYSA-M 129.13386 129.05572 CC(C)CC(=O)C([O-])=O CHEBI:12020 CHEBI:20438 Beilstein:3904096 KEGG:C00233 Reaxys:3904096 4-methyl-2-oxopentanoate chebi_ontology 2-Oxoisocaproate alpha-ketoisocaproate CHEBI:17865 4-methyl-2-oxopentanoate Beilstein:3904096 Beilstein Reaxys:3904096 Reaxys 4-methyl-2-oxopentanoate IUPAC 4-methyl-2-oxopentanoate UniProt 2-Oxoisocaproate KEGG_COMPOUND alpha-ketoisocaproate ChEBI The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1. -1 C7H5O3 InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1 FJKROLUGYXJWQN-UHFFFAOYSA-M 137.11280 137.02442 Oc1ccc(cc1)C([O-])=O CHEBI:12003 CHEBI:20397 Beilstein:3589159 CAS:456-23-5 Gmelin:326508 KEGG:C00156 Reaxys:3589159 UM-BBD_compID:c0104 4-hydroxybenzoate chebi_ontology 4-hydroxybenzoic acid, ion(1-) p-hydroxybenzoate CHEBI:17879 4-hydroxybenzoate Beilstein:3589159 Beilstein CAS:456-23-5 ChemIDplus Gmelin:326508 Gmelin Reaxys:3589159 Reaxys UM-BBD_compID:c0104 UM-BBD 4-hydroxybenzoate IUPAC 4-hydroxybenzoate UniProt 4-hydroxybenzoic acid, ion(1-) ChemIDplus p-hydroxybenzoate ChemIDplus A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. hydrochloric acid http://langual.org 0 ClH HCl InChI=1S/ClH/h1H VEXZGXHMUGYJMC-UHFFFAOYSA-N 36.46064 35.97668 Cl[H] CHEBI:13364 CHEBI:24635 CHEBI:5590 CAS:7647-01-0 Codex::507 Drug_Central:4568 Europe::507 Gmelin:322 HMDB:HMDB0002306 KEGG:C01327 KEGG:D02057 MetaCyc:HCL PMID:15823700 PMID:17492841 PMID:22804993 Reaxys:1098214 Wikipedia:HCl Wikipedia:Hydrochloric_acid http://www.langual.org/langual_thesaurus.asp?termid=B3117 Hydrogen chloride chlorane chloridohydrogen hydrogen chloride chebi_ontology Chlorwasserstoff HCl Hydrochloride Hydrogenchlorid Wasserstoffchlorid [HCl] chlorure d'hydrogene cloruro de hidrogeno hydrochloric acid CHEBI:17883 LanguaL term definition: Food additive; technological purpose(s): acidity regulator. hydrogen chloride CAS:7647-01-0 ChemIDplus CAS:7647-01-0 KEGG COMPOUND CAS:7647-01-0 NIST Chemistry WebBook Drug_Central:4568 DrugCentral Gmelin:322 Gmelin PMID:15823700 Europe PMC PMID:17492841 Europe PMC PMID:22804993 Europe PMC Reaxys:1098214 Reaxys Hydrogen chloride KEGG_COMPOUND chlorane IUPAC chloridohydrogen IUPAC hydrogen chloride IUPAC Chlorwasserstoff ChEBI HCl KEGG_COMPOUND Hydrochloride KEGG_COMPOUND Hydrogenchlorid ChEBI Wasserstoffchlorid ChEBI [HCl] IUPAC chlorure d'hydrogene ChEBI cloruro de hidrogeno ChEBI hydrochloric acid ChemIDplus A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity. CHEBI:14202 CHEBI:4697 KEGG:C01351 Donor chebi_ontology Donator donneur CHEBI:17891 donor Donor KEGG_COMPOUND Donator ChEBI donneur ChEBI A 2-hydroxy monocarboxylic acid having (2R)-configuration. 0 C2H3O3R 75.04340 75.00822 O[C@H]([*])C(O)=O CHEBI:10973 CHEBI:18649 CHEBI:309 KEGG:C02489 KEGG:C15487 chebi_ontology (2R)-2-hydroxy monocarboxylic acids (2R)-Hydroxy-carboxylate (R)-2-Hydroxyacid (R)-2-Hydroxycarboxylic acid CHEBI:17893 (2R)-2-hydroxy monocarboxylic acid (2R)-2-hydroxy monocarboxylic acids ChEBI (2R)-Hydroxy-carboxylate KEGG_COMPOUND (R)-2-Hydroxyacid KEGG_COMPOUND (R)-2-Hydroxycarboxylic acid KEGG_COMPOUND An optically active form of tyrosine having L-configuration. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N 181.18858 181.07389 N[C@@H](Cc1ccc(O)cc1)C(O)=O CHEBI:13181 CHEBI:21411 CHEBI:46070 CHEBI:46161 CHEBI:6313 Beilstein:392441 CAS:60-18-4 DrugBank:DB00135 Drug_Central:2786 ECMDB:ECMDB00158 Gmelin:50929 HMDB:HMDB0000158 KEGG:C00082 KEGG:D00022 KNApSAcK:C00001397 MetaCyc:TYR PDBeChem:TYR PMID:15171683 PMID:22360849 PMID:22402312 Reaxys:392441 UM-BBD_compID:c0234 Wikipedia:Tyrosine YMDB:YMDB00364 L-Tyrosine L-tyrosine chebi_ontology (-)-alpha-amino-p-hydroxyhydrocinnamic acid (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid (S)-(-)-Tyrosine (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid (S)-3-(p-Hydroxyphenyl)alanine (S)-Tyrosine (S)-alpha-amino-4-hydroxybenzenepropanoic acid 4-hydroxy-L-phenylalanine L-Tyrosin TYROSINE Tyr Tyrosine Y CHEBI:17895 L-tyrosine Beilstein:392441 Beilstein CAS:60-18-4 ChemIDplus CAS:60-18-4 KEGG COMPOUND CAS:60-18-4 NIST Chemistry WebBook Drug_Central:2786 DrugCentral Gmelin:50929 Gmelin PMID:15171683 Europe PMC PMID:22360849 Europe PMC PMID:22402312 Europe PMC Reaxys:392441 Reaxys UM-BBD_compID:c0234 UM-BBD L-Tyrosine KEGG_COMPOUND L-tyrosine IUPAC (-)-alpha-amino-p-hydroxyhydrocinnamic acid NIST_Chemistry_WebBook (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC (S)-(-)-Tyrosine HMDB (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid KEGG_COMPOUND (S)-3-(p-Hydroxyphenyl)alanine KEGG_COMPOUND (S)-Tyrosine HMDB (S)-alpha-amino-4-hydroxybenzenepropanoic acid NIST_Chemistry_WebBook 4-hydroxy-L-phenylalanine NIST_Chemistry_WebBook L-Tyrosin ChEBI TYROSINE PDBeChem Tyr ChEBI Tyrosine KEGG_COMPOUND Y ChEBI A retinal in which all four exocyclic double bonds have E- (trans-) geometry. 0 C20H28O InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ NCYCYZXNIZJOKI-OVSJKPMPSA-N 284.443 284.21402 [H]C(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C CHEBI:12776 CHEBI:22348 CHEBI:8814 CAS:116-31-4 Chemspider:553582 FooDB:FDB030668 HMDB:HMDB0001358 KEGG:C00376 LIPID_MAPS_instance:LMPR01090002 MetaCyc:RETINAL PDBeChem:RET PMID:12168520 PMID:15500295 PMID:15686550 PMID:15724104 PMID:16004575 PMID:16054134 PMID:16128572 PMID:17326003 PMID:21447403 PMID:21995425 PMID:22162152 PMID:22198730 PMID:22220722 PMID:22417174 PMID:22428905 PMID:22431612 PMID:22515697 PMID:22529810 PMID:22559266 PMID:22621924 PMID:22841964 PMID:22879987 PMID:26568132 PMID:28780307 PMID:31931077 PMID:32212312 PMID:32371567 PMID:32492112 PMID:33034385 PMID:33334878 Reaxys:1914183 Wikipedia:Retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal all-trans-retinal chebi_ontology E-retinal all-E-retinal all-trans-retinaldehyde all-trans-retinene all-trans-vitamin A aldehyde axerophthal retinal retinaldehyde retinene retinene 1 retinyl aldehyde trans-retinal trans-vitamin A aldehyde vitamin A aldehyde vitamin A1 aldehyde CHEBI:17898 all-trans-retinal all-trans-retinal An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. 0 C8H8O InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2 AWMVMTVKBNGEAK-UHFFFAOYSA-N 120.14852 120.05751 C1OC1c1ccccc1 CHEBI:15124 CHEBI:26798 CHEBI:9298 Beilstein:108582 CAS:96-09-3 Gmelin:50213 KEGG:C02083 MetaCyc:2-Phenyloxirane PMID:11551533 PMID:19245253 PMID:24320693 Reaxys:108582 UM-BBD_compID:c0037 Wikipedia:Styrene_oxide 2-phenyloxirane Styrene oxide styrene oxide chebi_ontology (epoxyethyl)benzene 1,2-epoxy-1-phenylethane 1,2-epoxyethylbenzene 1-phenyl-1,2-epoxyethane 1-phenyloxirane Styrene-7,8-oxide alpha,beta-epoxystyrene epoxyethylbenzene epoxystyrene phenethylene oxide phenyl oxirane phenylethylene oxide phenyloxirane styrene 7,8-oxide styrene epoxide styrene-7,8-oxide styryl oxide CHEBI:17907 styrene oxide Beilstein:108582 Beilstein CAS:96-09-3 ChemIDplus CAS:96-09-3 KEGG COMPOUND CAS:96-09-3 NIST Chemistry WebBook Gmelin:50213 Gmelin PMID:11551533 Europe PMC PMID:19245253 Europe PMC PMID:24320693 Europe PMC Reaxys:108582 Reaxys UM-BBD_compID:c0037 UM-BBD 2-phenyloxirane IUPAC Styrene oxide KEGG_COMPOUND styrene oxide UniProt (epoxyethyl)benzene NIST_Chemistry_WebBook 1,2-epoxy-1-phenylethane ChemIDplus 1,2-epoxyethylbenzene ChemIDplus 1-phenyl-1,2-epoxyethane ChemIDplus 1-phenyloxirane ChemIDplus Styrene-7,8-oxide KEGG_COMPOUND alpha,beta-epoxystyrene NIST_Chemistry_WebBook epoxyethylbenzene ChemIDplus epoxystyrene ChemIDplus phenethylene oxide ChemIDplus phenyl oxirane ChemIDplus phenylethylene oxide ChemIDplus phenyloxirane ChemIDplus styrene 7,8-oxide NIST_Chemistry_WebBook styrene epoxide ChemIDplus styrene-7,8-oxide ChemIDplus styryl oxide ChemIDplus A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. 0 C12H15N InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3 PLRACCBDVIHHLZ-UHFFFAOYSA-N 173.25424 173.12045 CN1CCC(=CC1)c1ccccc1 CHEBI:11263 CHEBI:19059 CHEBI:639 CAS:28289-54-5 KEGG:C04599 PMID:21798732 PMID:21830164 PMID:22393538 PMID:23296790 Reaxys:133712 Wikipedia:MPTP 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine chebi_ontology MPTP CHEBI:17963 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine CAS:28289-54-5 ChemIDplus CAS:28289-54-5 KEGG COMPOUND PMID:21798732 Europe PMC PMID:21830164 Europe PMC PMID:22393538 Europe PMC PMID:23296790 Europe PMC Reaxys:133712 Reaxys 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine KEGG_COMPOUND 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine IUPAC MPTP KEGG_COMPOUND A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5) JOYRKODLDBILNP-UHFFFAOYSA-N 89.09322 89.04768 CCOC(N)=O CHEBI:15295 CHEBI:27225 CHEBI:9892 CAS:51-79-6 DrugBank:DB04827 HMDB:HMDB0031219 KEGG:C01537 LINCS:LSM-37020 PMID:15790490 PMID:24386880 Reaxys:635810 Wikipedia:Ethyl_carbamate Urethane ethyl carbamate urethane chebi_ontology Ethyl carbamate carbamic acid ethyl ester CHEBI:17967 urethane CAS:51-79-6 KEGG COMPOUND PMID:15790490 Europe PMC PMID:24386880 Europe PMC Reaxys:635810 Reaxys Urethane KEGG_COMPOUND ethyl carbamate IUPAC urethane UniProt Ethyl carbamate KEGG_COMPOUND carbamic acid ethyl ester ChEBI A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. -1 C4H7O2 InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 FERIUCNNQQJTOY-UHFFFAOYSA-M 87.09718 87.04515 CCCC([O-])=O CHEBI:13924 CHEBI:22946 Beilstein:3601060 CAS:461-55-2 Gmelin:324289 KEGG:C00246 MetaCyc:BUTYRIC_ACID PMID:17190852 PMID:7496326 Reaxys:3601060 UM-BBD_compID:c0035 butanoate butyrate chebi_ontology 1-butanoate 1-butyrate 1-propanecarboxylate CH3-[CH2]2-COO(-) butanate butanoate butanoic acid, ion(1-) n-butanoate n-butyrate propanecarboxylate propylformate CHEBI:17968 butyrate Beilstein:3601060 Beilstein CAS:461-55-2 ChemIDplus Gmelin:324289 Gmelin PMID:17190852 Europe PMC PMID:7496326 Europe PMC Reaxys:3601060 Reaxys UM-BBD_compID:c0035 UM-BBD butanoate IUPAC butyrate IUPAC 1-butanoate ChEBI 1-butyrate ChEBI 1-propanecarboxylate ChEBI CH3-[CH2]2-COO(-) IUPAC butanate ChEBI butanoate ChEBI butanoate UniProt butanoic acid, ion(1-) ChemIDplus n-butanoate ChEBI n-butyrate ChemIDplus propanecarboxylate ChEBI propylformate ChEBI 0 C5H12O13P3R 373.063 372.94908 CHEBI:15047 CHEBI:26559 CHEBI:8846 KEGG:C03802 Ribonucleoside triphosphate chebi_ontology ribonucleoside triphosphates CHEBI:17972 ribonucleoside triphosphate Ribonucleoside triphosphate KEGG_COMPOUND ribonucleoside triphosphates ChEBI A glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 342.29650 342.11621 OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:15128 CHEBI:26812 CHEBI:45795 CHEBI:9314 Beilstein:90825 CAS:57-50-1 DrugBank:DB02772 Drug_Central:4610 Gmelin:97695 HMDB:HMDB0000258 KEGG:C00089 KEGG:D00025 KEGG:D06533 KEGG:G00370 KNApSAcK:C00001151 MetaCyc:SUCROSE PDBeChem:SUC PMID:11021636 PMID:11093712 PMID:11111003 PMID:12065720 PMID:12706980 PMID:13508893 PMID:15291457 PMID:15660210 PMID:15792978 PMID:15845855 PMID:16228482 PMID:16304615 PMID:16313996 PMID:16525719 PMID:16660545 PMID:16663947 PMID:16665852 PMID:17233733 PMID:17439666 PMID:17597061 PMID:18625236 PMID:19199566 PMID:19726178 PMID:21703290 PMID:21972845 PMID:22085755 PMID:22311778 PMID:22404833 PMID:22751876 Reaxys:1435311 Reaxys:90825 SUBSET_SIREN:F15176 Wikipedia:Sucrose http://www.langual.org/langual_thesaurus.asp?termid=C0210 http://www.langual.org/langual_thesaurus.asp?termid=H0136 http://www.langual.org/langual_thesaurus.asp?termid=H0158 SUCROSE Sucrose beta-D-fructofuranosyl alpha-D-glucopyranoside sucrose chebi_ontology 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside Cane sugar Saccharose Sacharose White sugar beta-D-Fruf-(2<->1)-alpha-D-Glcp sacarosa table sugar CHEBI:17992 subset_siren LanguaL term definition: Used when sucrose (e.g., cane sugar or beet sugar) is the major ingredient. Note: on a product label or in a recipe, 'sugar' means sucrose. sucrose sucrose Beilstein:90825 Beilstein CAS:57-50-1 ChemIDplus CAS:57-50-1 KEGG COMPOUND CAS:57-50-1 NIST Chemistry WebBook Drug_Central:4610 DrugCentral Gmelin:97695 Gmelin PMID:11021636 Europe PMC PMID:11093712 Europe PMC PMID:11111003 Europe PMC PMID:12065720 Europe PMC PMID:12706980 Europe PMC PMID:13508893 Europe PMC PMID:15291457 Europe PMC PMID:15660210 Europe PMC PMID:15792978 Europe PMC PMID:15845855 Europe PMC PMID:16228482 Europe PMC PMID:16304615 Europe PMC PMID:16313996 Europe PMC PMID:16525719 Europe PMC PMID:16660545 Europe PMC PMID:16663947 Europe PMC PMID:16665852 Europe PMC PMID:17233733 Europe PMC PMID:17439666 Europe PMC PMID:17597061 Europe PMC PMID:18625236 Europe PMC PMID:19199566 Europe PMC PMID:19726178 Europe PMC PMID:21703290 Europe PMC PMID:21972845 Europe PMC PMID:22085755 Europe PMC PMID:22311778 Europe PMC PMID:22404833 Europe PMC PMID:22751876 Europe PMC Reaxys:1435311 Reaxys Reaxys:90825 Reaxys SUCROSE PDBeChem Sucrose KEGG_COMPOUND beta-D-fructofuranosyl alpha-D-glucopyranoside IUPAC sucrose UniProt 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside KEGG_COMPOUND Cane sugar KEGG_COMPOUND Saccharose KEGG_COMPOUND Sacharose ChEBI White sugar HMDB beta-D-Fruf-(2<->1)-alpha-D-Glcp JCBN sacarosa ChEBI table sugar ChemIDplus A halide anion formed when chlorine picks up an electron to form an an anion. -1 Cl InChI=1S/ClH/h1H/p-1 VEXZGXHMUGYJMC-UHFFFAOYSA-M 35.45270 34.96940 [Cl-] CHEBI:13291 CHEBI:13970 CHEBI:3616 CHEBI:3731 CHEBI:48804 Beilstein:3587171 CAS:16887-00-6 Gmelin:14910 KEGG:C00115 KEGG:C00698 PDBeChem:CL UM-BBD_compID:c0884 Chloride chloride chloride(1-) chebi_ontology CHLORIDE ION Chloride ion Chloride(1-) Chlorine anion Cl(-) Cl- CHEBI:17996 chloride chloride Beilstein:3587171 Beilstein CAS:16887-00-6 ChemIDplus CAS:16887-00-6 KEGG COMPOUND CAS:16887-00-6 NIST Chemistry WebBook Gmelin:14910 Gmelin UM-BBD_compID:c0884 UM-BBD Chloride KEGG_COMPOUND chloride IUPAC chloride UniProt chloride(1-) IUPAC CHLORIDE ION PDBeChem Chloride ion KEGG_COMPOUND Chloride(1-) ChemIDplus Chlorine anion NIST_Chemistry_WebBook Cl(-) IUPAC Cl- KEGG_COMPOUND dinitrogen An L-alpha-amino acid; the L-isomer of lysine. 0 C6H14N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N 146.18764 146.10553 NCCCC[C@H](N)C(O)=O CHEBI:13135 CHEBI:21351 CHEBI:43950 CHEBI:6264 Beilstein:1722531 CAS:56-87-1 DrugBank:DB00123 Drug_Central:1622 ECMDB:ECMDB00182 Gmelin:364182 HMDB:HMDB0000182 KEGG:C00047 KEGG:D02304 KNApSAcK:C00001378 MetaCyc:LYS PMID:10930630 PMID:16901854 PMID:17051348 PMID:17979222 PMID:22019452 PMID:22064742 PMID:22575419 PMID:22735334 PMID:23167968 PMID:23325920 PMID:23722415 PMID:24064214 PMID:24831709 PMID:25108762 PMID:8070089 PMID:8587651 Reaxys:1722531 Wikipedia:Lysine YMDB:YMDB00330 (2S)-2,6-diaminohexanoic acid L-Lysine L-lysine chebi_ontology (S)-2,6-diaminohexanoic acid (S)-alpha,epsilon-diaminocaproic acid (S)-lysine 6-ammonio-L-norleucine K L-2,6-Diaminocaproic acid L-Lysin Lys Lysine acid lysina lysine lysinum CHEBI:18019 L-lysine Beilstein:1722531 Beilstein CAS:56-87-1 ChemIDplus CAS:56-87-1 KEGG COMPOUND CAS:56-87-1 NIST Chemistry WebBook Drug_Central:1622 DrugCentral Gmelin:364182 Gmelin PMID:10930630 Europe PMC PMID:16901854 Europe PMC PMID:17051348 Europe PMC PMID:17979222 Europe PMC PMID:22019452 Europe PMC PMID:22064742 Europe PMC PMID:22575419 Europe PMC PMID:22735334 Europe PMC PMID:23167968 Europe PMC PMID:23325920 Europe PMC PMID:23722415 Europe PMC PMID:24064214 Europe PMC PMID:24831709 Europe PMC PMID:25108762 Europe PMC PMID:8070089 Europe PMC PMID:8587651 Europe PMC Reaxys:1722531 Reaxys (2S)-2,6-diaminohexanoic acid IUPAC L-Lysine KEGG_COMPOUND L-lysine IUPAC (S)-2,6-diaminohexanoic acid NIST_Chemistry_WebBook (S)-alpha,epsilon-diaminocaproic acid NIST_Chemistry_WebBook (S)-lysine NIST_Chemistry_WebBook 6-ammonio-L-norleucine PDBeChem K NIST_Chemistry_WebBook L-2,6-Diaminocaproic acid HMDB L-Lysin ChEBI Lys NIST_Chemistry_WebBook Lysine acid KEGG_COMPOUND lysina WHO_MedNet lysine WHO_MedNet lysinum WHO_MedNet A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid. -1 CNS InChI=1S/CHNS/c2-1-3/h3H/p-1 ZMZDMBWJUHKJPS-UHFFFAOYSA-M 58.08344 57.97569 [S-]C#N CHEBI:15234 CHEBI:24926 CHEBI:26954 CHEBI:45576 Beilstein:1901207 CAS:302-04-5 Gmelin:1089 PDBeChem:SCN UM-BBD_compID:c0560 nitridosulfidocarbonate(1-) nitridothiocarbonate(1-) nitridothiocarbonate(IV) thiocyanate chebi_ontology N#C-S(-) NCS- Rhodanid SCN(-) THIOCYANATE ION Thiozyanat [S-C#N](-) rhodanide thiocyanate ion (1-) CHEBI:18022 thiocyanate Beilstein:1901207 Beilstein CAS:302-04-5 ChemIDplus CAS:302-04-5 KEGG COMPOUND CAS:302-04-5 NIST Chemistry WebBook Gmelin:1089 Gmelin UM-BBD_compID:c0560 UM-BBD nitridosulfidocarbonate(1-) IUPAC nitridothiocarbonate(1-) IUPAC nitridothiocarbonate(IV) IUPAC thiocyanate IUPAC thiocyanate UniProt N#C-S(-) ChEBI NCS- NIST_Chemistry_WebBook Rhodanid ChEBI SCN(-) IUPAC THIOCYANATE ION PDBeChem Thiozyanat ChEBI [S-C#N](-) ChEBI rhodanide ChEBI thiocyanate ion (1-) ChemIDplus 0 COR2 28.01010 27.99491 [*]C([*])=O CHEBI:14136 CHEBI:23663 CHEBI:4485 KEGG:C02146 Dialkyl ketone dialkyl ketone chebi_ontology dialkyl ketones CHEBI:18044 dialkyl ketone Dialkyl ketone KEGG_COMPOUND dialkyl ketone UniProt dialkyl ketones ChEBI A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin. 0 C3H4N4O InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7) ZEWJFUNFEABPGL-UHFFFAOYSA-N 112.092 112.03851 NC(=O)C1=NNC=N1 CAS:3641-08-5 Chemspider:58634 HMDB:HMDB0244869 PMID:1368697 PMID:1368721 PMID:17845853 PMID:21202621 PMID:212973 PMID:2737800 PMID:6660848 Reaxys:775120 1H-1,2,4-triazole-3-carboxamide chebi_ontology 3-(aminocarbonyl)-1H-1,2,4-triazole 3-carbamoyl-1H-1,2,4-triazole CHEBI:180482 1,2,4-triazole-3-carboxamide CAS:3641-08-5 ChemIDplus PMID:1368697 Europe PMC PMID:1368721 Europe PMC PMID:17845853 Europe PMC PMID:21202621 Europe PMC PMID:212973 Europe PMC PMID:2737800 SUBMITTER PMID:6660848 Europe PMC Reaxys:775120 Reaxys 1H-1,2,4-triazole-3-carboxamide IUPAC 3-(aminocarbonyl)-1H-1,2,4-triazole ChEBI 3-carbamoyl-1H-1,2,4-triazole ChEBI An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine. 0 C5H11N InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 NQRYJNQNLNOLGT-UHFFFAOYSA-N 85.150 85.08915 C1CCNCC1 CHEBI:14841 CHEBI:26146 CHEBI:45123 CHEBI:8238 CAS:110-89-4 Chemspider:7791 FooDB:FDB012644 HMDB:HMDB0034301 KEGG:C01746 KNApSAcK:C00051876 MetaCyc:PIPERIDINE PDBeChem:PIP PMID:12355363 PMID:15017096 PMID:15412 PMID:25897321 PMID:32120931 PMID:33021609 PMID:5300194 PMID:5308835 PMID:799462 Reaxys:102438 Wikipedia:Piperidine Piperidine piperidine chebi_ontology Azacyclohexane Hexahydropyridine Piperidin azinane cyclopentimine cypentil hexazane pentamethyleneamine pentamethyleneimine pentamethylenimine perhydropyridine pip CHEBI:18049 piperidine CAS:110-89-4 ChemIDplus CAS:110-89-4 NIST Chemistry WebBook PMID:12355363 Europe PMC PMID:15017096 Europe PMC PMID:15412 Europe PMC PMID:25897321 Europe PMC PMID:32120931 Europe PMC PMID:33021609 Europe PMC PMID:5300194 Europe PMC PMID:5308835 Europe PMC PMID:799462 Europe PMC Reaxys:102438 Reaxys Piperidine KEGG_COMPOUND piperidine IUPAC Azacyclohexane KEGG_COMPOUND Hexahydropyridine KEGG_COMPOUND Piperidin ChemIDplus azinane ChEBI cyclopentimine NIST_Chemistry_WebBook cypentil ChemIDplus hexazane ChemIDplus pentamethyleneamine NIST_Chemistry_WebBook pentamethyleneimine NIST_Chemistry_WebBook pentamethylenimine NIST_Chemistry_WebBook perhydropyridine ChemIDplus pip IUPAC An optically active form of glutamine having L-configuration. 0 C5H10N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 ZDXPYRJPNDTMRX-VKHMYHEASA-N 146.14458 146.06914 N[C@@H](CCC(N)=O)C(O)=O CHEBI:13110 CHEBI:21308 CHEBI:42812 CHEBI:42814 CHEBI:42899 CHEBI:42943 CHEBI:6227 Beilstein:1723797 CAS:56-85-9 DrugBank:DB00130 Drug_Central:1311 ECMDB:ECMDB00641 Gmelin:3509 HMDB:HMDB0000641 KEGG:C00064 KEGG:D00015 KNApSAcK:C00001359 LINCS:LSM-4741 MetaCyc:GLN PDBeChem:GLN PMID:11139387 PMID:15204730 PMID:22055478 PMID:22206385 PMID:22451274 PMID:22453904 PMID:22575040 PMID:22770225 PMID:29438107 Reaxys:1723797 Wikipedia:Glutamine YMDB:YMDB00002 L-Glutamine L-glutamine chebi_ontology (2S)-2,5-diamino-5-oxopentanoic acid (2S)-2-amino-4-carbamoylbutanoic acid (S)-2,5-diamino-5-oxopentanoic acid GLUTAMINE Glutamic acid 5-amide Glutamic acid amide L-(+)-glutamine L-2-Aminoglutaramic acid L-2-aminoglutaramic acid L-Glutamin L-Glutaminsaeure-5-amid L-glutamic acid gamma-amide Levoglutamide Q CHEBI:18050 L-glutamine Beilstein:1723797 ChemIDplus CAS:56-85-9 ChemIDplus CAS:56-85-9 KEGG COMPOUND CAS:56-85-9 NIST Chemistry WebBook Drug_Central:1311 DrugCentral Gmelin:3509 Gmelin PMID:11139387 Europe PMC PMID:15204730 Europe PMC PMID:22055478 Europe PMC PMID:22206385 Europe PMC PMID:22451274 Europe PMC PMID:22453904 Europe PMC PMID:22575040 Europe PMC PMID:22770225 Europe PMC PMID:29438107 Europe PMC Reaxys:1723797 Reaxys L-Glutamine KEGG_COMPOUND L-glutamine IUPAC (2S)-2,5-diamino-5-oxopentanoic acid IUPAC (2S)-2-amino-4-carbamoylbutanoic acid JCBN (S)-2,5-diamino-5-oxopentanoic acid ChEBI GLUTAMINE PDBeChem Glutamic acid 5-amide HMDB Glutamic acid amide HMDB L-(+)-glutamine ChemIDplus L-2-Aminoglutaramic acid KEGG_COMPOUND L-2-aminoglutaramic acid ChEBI L-2-aminoglutaramic acid DrugBank L-Glutamin ChEBI L-Glutaminsaeure-5-amid ChEBI L-glutamic acid gamma-amide NIST_Chemistry_WebBook Levoglutamide KEGG_DRUG Q ChEBI A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. 0 C4H7NO2 InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N 101.10392 101.04768 NC1(CC1)C(O)=O CHEBI:19027 CHEBI:19028 CHEBI:39590 CHEBI:609 Beilstein:2076413 CAS:22059-21-8 DrugBank:DB02085 Gmelin:362607 HMDB:HMDB0036458 KEGG:C01234 KNApSAcK:C00007566 MetaCyc:CPD-68 PDBeChem:1AC PMID:24120532 PMID:24495994 Pesticides:acc Reaxys:2076413 Wikipedia:1-Aminocyclopropane-1-carboxylic_acid 1-AMINOCYCLOPROPANECARBOXYLIC ACID 1-aminocyclopropane-1-carboxylic acid chebi_ontology 1-Aminocyclopropane-1-carboxylic acid ACC CHEBI:18053 1-aminocyclopropanecarboxylic acid Beilstein:2076413 Beilstein CAS:22059-21-8 ChemIDplus CAS:22059-21-8 KEGG COMPOUND Gmelin:362607 Gmelin PMID:24120532 Europe PMC PMID:24495994 Europe PMC Pesticides:acc Alan Wood's Pesticides Reaxys:2076413 Reaxys 1-AMINOCYCLOPROPANECARBOXYLIC ACID PDBeChem 1-aminocyclopropane-1-carboxylic acid IUPAC 1-Aminocyclopropane-1-carboxylic acid KEGG_COMPOUND ACC ChemIDplus 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. CHEBI:14517 CHEBI:25054 CHEBI:6486 KEGG:C01356 Lipid lipids chebi_ontology CHEBI:18059 lipid lipid Lipid KEGG_COMPOUND lipids IUPAC A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. phylloquinone http://langual.org 0 C31H46O2 InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1 MBWXNTAXLNYFJB-NKFFZRIASA-N 450.707 450.34978 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O CHEBI:11611 CHEBI:14833 CHEBI:26105 CHEBI:45148 CHEBI:8181 CAS:84-80-0 Chemspider:4447652 DrugBank:DB01022 Drug_Central:2843 HMDB:HMDB0003555 KEGG:C02059 KEGG:D00148 KNApSAcK:C00002868 LIPID_MAPS_instance:LMPR02030028 MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE PDBeChem:PQN PMCID:PMC6577341 PMCID:PMC8180628 PMID:1009028 PMID:10701947 PMID:10893417 PMID:11003724 PMID:15686525 PMID:15773196 PMID:19588895 PMID:19996170 PMID:21169510 PMID:21645693 PMID:21844348 PMID:21914559 PMID:27337968 PMID:2851012 PMID:30609653 PMID:32090699 PMID:32109957 PMID:32221088 PMID:32222983 PMID:32445363 PMID:33793953 PMID:33968245 PMID:34134516 PMID:5511811 PMID:7657478 Reaxys:2568816 Wikipedia:Phytomenadione http://www.langual.org/langual_thesaurus.asp?termid=B3788 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione PHYLLOQUINONE Phylloquinone phylloquinone chebi_ontology 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone 2-Methyl-3-phytyl-1,4-naphthochinon 2-methyl-3-phytyl-1,4-naphthoquinone 3-phytylmenadione Mephyton Phyllochinon Phyllochinonum Phytonadionum Phytylmenadione Vitamin K1 alpha-phylloquinone fitomenadiona fitomenadione phytomenadione phytomenadionum phytonadione trans-Phylloquinone vitamin K1 vitamin K1(20) phytomenadione vitamin K1 CHEBI:18067 phylloquinone Any polysaccharide containing a substantial proportion of aminomonosaccharide residues. CHEBI:14361 CHEBI:24398 CHEBI:5495 KEGG:C02545 Wikipedia:Glycosaminoglycan Glycosaminoglycan glycosaminoglycan chebi_ontology Glykosaminoglykan glicosaminoglicano glycosaminoglycane glycosaminoglycans CHEBI:18085 glycosaminoglycan Glycosaminoglycan KEGG_COMPOUND glycosaminoglycan IUPAC Glykosaminoglykan ChEBI glicosaminoglicano IUPAC glycosaminoglycane IUPAC glycosaminoglycans ChEBI An alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols. 0 C6H12O InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 HPXRVTGHNJAIIH-UHFFFAOYSA-N 100.15888 100.08882 OC1CCCCC1 CHEBI:14051 CHEBI:23471 CHEBI:4013 CHEBI:41739 CAS:108-93-0 DrugBank:DB03703 KEGG:C00854 MetaCyc:CYCLOHEXANOL PDBeChem:CXL PMID:11682644 PMID:23825601 Reaxys:906744 UM-BBD_compID:c0175 Wikipedia:Cyclohexanol Cyclohexanol cyclohexanol chebi_ontology 1-Cyclohexanol Cyclohexan-1-ol Cyclohexyl alcohol Hexahydrophenol Hexalin Hydrophenol Hydroxycyclohexane CHEBI:18099 cyclohexanol CAS:108-93-0 ChemIDplus CAS:108-93-0 KEGG COMPOUND CAS:108-93-0 NIST Chemistry WebBook PMID:11682644 Europe PMC PMID:23825601 Europe PMC Reaxys:906744 Reaxys UM-BBD_compID:c0175 UM-BBD Cyclohexanol KEGG_COMPOUND cyclohexanol IUPAC cyclohexanol UniProt 1-Cyclohexanol ChemIDplus Cyclohexan-1-ol KEGG_COMPOUND Cyclohexyl alcohol ChemIDplus Hexahydrophenol KEGG_COMPOUND Hexalin KEGG_COMPOUND Hydrophenol NIST_Chemistry_WebBook Hydroxycyclohexane ChemIDplus Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose). CHEBI:14399 CHEBI:24590 CHEBI:5709 GlyGen:G70994MS GlyTouCan:G70994MS KEGG:C00738 Hexose chebi_ontology WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/ hexoses CHEBI:18133 hexose Hexose KEGG_COMPOUND WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/ GlyTouCan hexoses ChEBI A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. 0 C6H6O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N 110.11064 110.03678 Oc1ccccc1O CHEBI:135158 CHEBI:13950 CHEBI:23054 CHEBI:3467 CHEBI:41441 Beilstein:471401 CAS:120-80-9 CAS:12385-08-9 DrugBank:DB02232 Gmelin:2936 HMDB:HMDB0000957 KEGG:C00090 KEGG:C01785 KEGG:C15571 KNApSAcK:C00002644 MetaCyc:CATECHOL PDBeChem:CAQ PMID:10651166 PMID:11470755 PMID:15951152 PMID:16610220 Reaxys:471401 UM-BBD_compID:c0097 Wikipedia:Catechol Catechol benzene-1,2-diol catechol chebi_ontology 1,2-Benzenediol 1,2-Dihydroxybenzene 2-hydroxyphenol Brenzcatechin Pyrocatechol alpha-hydroxyphenol o-Benzenediol o-hydroxyphenol pyrocatechin CHEBI:18135 catechol catechol Beilstein:471401 Beilstein CAS:120-80-9 ChemIDplus CAS:120-80-9 KEGG COMPOUND CAS:120-80-9 NIST Chemistry WebBook CAS:12385-08-9 KEGG COMPOUND Gmelin:2936 Gmelin PMID:10651166 Europe PMC PMID:11470755 Europe PMC PMID:15951152 Europe PMC PMID:16610220 Europe PMC Reaxys:471401 Reaxys UM-BBD_compID:c0097 UM-BBD Catechol KEGG_COMPOUND benzene-1,2-diol IUPAC catechol UniProt 1,2-Benzenediol KEGG_COMPOUND 1,2-Dihydroxybenzene KEGG_COMPOUND 2-hydroxyphenol ChEBI Brenzcatechin KEGG_COMPOUND Pyrocatechol KEGG_COMPOUND alpha-hydroxyphenol ChEBI o-Benzenediol KEGG_COMPOUND o-hydroxyphenol NIST_Chemistry_WebBook pyrocatechin ChEBI A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group. 0 C3H9N InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N 59.11030 59.07350 CN(C)C CHEBI:15261 CHEBI:27125 CHEBI:27127 CHEBI:9732 Beilstein:956566 CAS:75-50-3 Gmelin:1309 HMDB:HMDB0000906 KEGG:C00565 KNApSAcK:C00001433 MetaCyc:TRIMETHYLAMINE PDBeChem:KEN PMID:14047118 PMID:15304308 PMID:15752091 PMID:17190852 PMID:1801314 PMID:24591617 PMID:2501587 PMID:5161463 Reaxys:956566 Wikipedia:Trimethylamine N,N-dimethylmethanamine Trimethylamine chebi_ontology (CH3)3N N(CH3)3 N,N,N-trimethylamine N,N-Dimethylmethanamine NMe3 TMA Trimethylamin tridimethylaminomethane CHEBI:18139 trimethylamine Beilstein:956566 Beilstein CAS:75-50-3 ChemIDplus CAS:75-50-3 KEGG COMPOUND CAS:75-50-3 NIST Chemistry WebBook Gmelin:1309 Gmelin PMID:14047118 Europe PMC PMID:15304308 Europe PMC PMID:15752091 Europe PMC PMID:17190852 Europe PMC PMID:1801314 Europe PMC PMID:24591617 Europe PMC PMID:2501587 Europe PMC PMID:5161463 Europe PMC Reaxys:956566 Reaxys N,N-dimethylmethanamine IUPAC Trimethylamine KEGG_COMPOUND (CH3)3N KEGG_COMPOUND N(CH3)3 ChEBI N,N,N-trimethylamine ChEBI N,N-Dimethylmethanamine KEGG_COMPOUND NMe3 ChEBI TMA NIST_Chemistry_WebBook Trimethylamin ChEBI tridimethylaminomethane ChEBI 0 HX 1.008 1.00783 [F,Cl,Br,I] CHEBI:13368 CHEBI:37140 CHEBI:5599 hydrogen halide hydrogen halides chebi_ontology HX hydrogen halides CHEBI:18140 hydrogen halide hydrogen halide IUPAC hydrogen halides IUPAC HX UniProt hydrogen halides ChEBI An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. (R,R,R)-alpha-tocopherol 0 C2H4 InChI=1S/C2H4/c1-2/h1-2H2 VGGSQFUCUMXWEO-UHFFFAOYSA-N 28.05316 28.03130 C=C CHEBI:14230 CHEBI:24000 CHEBI:4899 BPDB:2009 Beilstein:1730731 CAS:74-85-1 Gmelin:214 KEGG:C06547 KNApSAcK:C00000175 UM-BBD_compID:c0359 ethene chebi_ontology Aethen Aethylen CH2=CH2 Ethylene H2C=CH2 R-1150 CHEBI:18153 ethene Beilstein:1730731 Beilstein CAS:74-85-1 ChemIDplus CAS:74-85-1 KEGG COMPOUND CAS:74-85-1 NIST Chemistry WebBook Gmelin:214 Gmelin UM-BBD_compID:c0359 UM-BBD ethene IUPAC ethene UniProt Aethen ChEBI Aethylen ChEBI CH2=CH2 IUPAC Ethylene KEGG_COMPOUND H2C=CH2 ChEBI R-1150 ChEBI A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. polysaccharide http://langual.org CHEBI:14864 CHEBI:26205 CHEBI:8322 KEGG:C00420 http://www.langual.org/langual_thesaurus.asp?termid=C0153 Polysaccharide polysaccharides chebi_ontology Glycan Glycane Glykan Glykane glycans polisacarido polisacaridos CHEBI:18154 LanguaL term definition: Complex carbohydrate with molecules composed of eleven or more saccharide units. Usually not sweet to the taste. Includes starch, pectin and cellulose. polysaccharide polysaccharide Polysaccharide KEGG_COMPOUND polysaccharides IUPAC Glycan KEGG_COMPOUND Glycane ChEBI Glykan ChEBI Glykane ChEBI glycans IUPAC polisacarido ChEBI polisacaridos IUPAC A haloacetate(1-) resulting from the deprotonation of the carboxy group of fluoroacetic acid. -1 C2H2FO2 InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1 QEWYKACRFQMRMB-UHFFFAOYSA-M 77.03448 77.00443 [O-]C(=O)CF CHEBI:14273 CHEBI:24063 Beilstein:3536125 CAS:513-62-2 Gmelin:323482 KEGG:C06108 Reaxys:3536125 UM-BBD_compID:c0801 fluoroacetate chebi_ontology FCH2CO2 anion fluoroacetic acid, ion(1-) CHEBI:18172 fluoroacetate Beilstein:3536125 Beilstein CAS:513-62-2 ChemIDplus CAS:513-62-2 NIST Chemistry WebBook Gmelin:323482 Gmelin Reaxys:3536125 Reaxys UM-BBD_compID:c0801 UM-BBD fluoroacetate IUPAC fluoroacetate UniProt FCH2CO2 anion NIST_Chemistry_WebBook fluoroacetic acid, ion(1-) ChemIDplus An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N 181.18858 181.07389 NC(Cc1ccc(O)cc1)C(O)=O CHEBI:15277 CHEBI:27176 CHEBI:9800 Beilstein:515881 CAS:55520-40-6 CAS:556-03-6 Gmelin:27744 KEGG:C01536 KNApSAcK:C00001397 PMID:17190852 Reaxys:515881 Tyrosine tyrosine chebi_ontology 2-Amino-3-(p-hydroxyphenyl)propionic acid 2-amino-3-(4-hydroxyphenyl)propanoic acid 3-(p-Hydroxyphenyl)alanine Tyr Tyrosin Y tirosina CHEBI:18186 tyrosine Beilstein:515881 Beilstein CAS:55520-40-6 ChemIDplus CAS:556-03-6 KEGG COMPOUND Gmelin:27744 Gmelin PMID:17190852 Europe PMC Reaxys:515881 Reaxys Tyrosine KEGG_COMPOUND tyrosine IUPAC 2-Amino-3-(p-hydroxyphenyl)propionic acid KEGG_COMPOUND 2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC 3-(p-Hydroxyphenyl)alanine KEGG_COMPOUND Tyr ChEBI Tyrosin ChEBI Y ChEBI tirosina ChEBI An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. 0 C5H9NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N 147.12930 147.05316 NC(CCC(O)=O)C(O)=O CHEBI:24314 CHEBI:5431 Beilstein:1723799 CAS:617-65-2 Gmelin:101971 KEGG:C00302 KEGG:D04341 KNApSAcK:C00001358 KNApSAcK:C00019577 PMID:15739367 PMID:17190852 PMID:24616376 PMID:24984001 Reaxys:1723799 Wikipedia:Glutamic_acid 2-aminopentanedioic acid Glutamic acid glutamic acid chebi_ontology 2-Aminoglutaric acid DL-Glutamic acid DL-Glutaminic acid E Glu Glutamate Glutaminic acid Glutaminsaeure CHEBI:18237 glutamic acid Beilstein:1723799 Beilstein CAS:617-65-2 ChemIDplus CAS:617-65-2 KEGG COMPOUND CAS:617-65-2 NIST Chemistry WebBook Gmelin:101971 Gmelin PMID:15739367 Europe PMC PMID:17190852 Europe PMC PMID:24616376 Europe PMC PMID:24984001 Europe PMC Reaxys:1723799 Reaxys 2-aminopentanedioic acid IUPAC Glutamic acid KEGG_COMPOUND glutamic acid IUPAC 2-Aminoglutaric acid KEGG_COMPOUND DL-Glutamic acid KEGG_DRUG DL-Glutaminic acid KEGG_COMPOUND E ChEBI Glu ChEBI Glutamate KEGG_COMPOUND Glutaminic acid KEGG_COMPOUND Glutaminsaeure ChEBI Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. 0 C8H11NO2 InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N 153.17840 153.07898 NCCc1ccc(O)c(O)c1 CHEBI:11695 CHEBI:11930 CHEBI:14203 CHEBI:1764 CHEBI:23886 CHEBI:43686 CAS:51-61-6 DrugBank:DB00988 Drug_Central:947 HMDB:HMDB0000073 KEGG:C03758 KEGG:D07870 KNApSAcK:C00001408 LINCS:LSM-4630 MetaCyc:DOPAMINE PMID:10629745 PMID:11149432 PMID:9422813 Reaxys:1072822 Wikipedia:Dopamine 4-(2-aminoethyl)benzene-1,2-diol Dopamine chebi_ontology 2-(3,4-Dihydroxyphenyl)ethylamine 2-(3,4-dihydroxyphenyl)ethylamine 3,4-Dihydroxyphenethylamine 3-Hydroxytyramine 4-(2-Aminoethyl)-1,2-benzenediol 4-(2-Aminoethyl)benzene-1,2-diol 4-(2-aminoethyl)-1,2-benzenediol 4-(2-aminoethyl)catechol 4-(2-aminoethyl)pyrocatechol Deoxyepinephrine Hydroxytyramin dopamina dopamine dopaminum CHEBI:18243 dopamine dopamine CAS:51-61-6 ChemIDplus Drug_Central:947 DrugCentral PMID:10629745 Europe PMC PMID:11149432 Europe PMC PMID:9422813 Europe PMC Reaxys:1072822 Reaxys 4-(2-aminoethyl)benzene-1,2-diol IUPAC Dopamine KEGG_COMPOUND 2-(3,4-Dihydroxyphenyl)ethylamine KEGG_COMPOUND 2-(3,4-dihydroxyphenyl)ethylamine ChEBI 3,4-Dihydroxyphenethylamine KEGG_COMPOUND 3-Hydroxytyramine ChemIDplus 4-(2-Aminoethyl)-1,2-benzenediol KEGG_COMPOUND 4-(2-Aminoethyl)benzene-1,2-diol KEGG_COMPOUND 4-(2-aminoethyl)-1,2-benzenediol ChEBI 4-(2-aminoethyl)catechol ChemIDplus 4-(2-aminoethyl)pyrocatechol ChemIDplus Deoxyepinephrine DrugBank Hydroxytyramin DrugBank dopamina ChemIDplus dopamine ChEBI dopaminum ChemIDplus An iron group element atom that has atomic number 26. 0 Fe InChI=1S/Fe XEEYBQQBJWHFJM-UHFFFAOYSA-N 55.84500 55.93494 [Fe] CHEBI:13322 CHEBI:24872 CHEBI:5974 CAS:7439-89-6 DrugBank:DB01592 HMDB:HMDB0015531 KEGG:C00023 Reaxys:4122945 WebElements:Fe iron chebi_ontology 26Fe Eisen Fe Iron fer ferrum hierro iron CHEBI:18248 iron atom CAS:7439-89-6 ChemIDplus CAS:7439-89-6 KEGG COMPOUND CAS:7439-89-6 NIST Chemistry WebBook Reaxys:4122945 Reaxys iron IUPAC 26Fe IUPAC Eisen ChEBI Fe IUPAC Fe UniProt Iron KEGG_COMPOUND fer ChEBI ferrum IUPAC hierro ChEBI iron ChEBI Any nucleoside where the sugar component is D-ribose. 0 C5H9O4R 133.123 133.05008 OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O CHEBI:13014 CHEBI:13015 CHEBI:13685 CHEBI:21085 CHEBI:26560 CHEBI:4240 CHEBI:8844 KEGG:C00911 Ribonucleoside chebi_ontology a ribonucleoside ribonucleosides CHEBI:18254 ribonucleoside Ribonucleoside KEGG_COMPOUND a ribonucleoside UniProt ribonucleosides ChEBI A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. -1 C12H23O2 InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1 POULHZVOKOAJMA-UHFFFAOYSA-M 199.310 199.17035 C(CCCCCCCC)CCC([O-])=O CHEBI:14187 CHEBI:23863 Beilstein:3588839 Gmelin:333430 KEGG:C02679 MetaCyc:DODECANOATE Reaxys:3588839 dodecanoate chebi_ontology 1-undecanecarboxylate C12 fatty acid anion CH3-[CH2]10-COO(-) dodecoate dodecylate duodecyclate duodecylate laurate laurostearate n-dodecanoate undecane-1-carboxylate vulvate CHEBI:18262 dodecanoate Beilstein:3588839 Beilstein Gmelin:333430 Gmelin Reaxys:3588839 Reaxys dodecanoate IUPAC dodecanoate UniProt 1-undecanecarboxylate ChEBI C12 fatty acid anion ChEBI CH3-[CH2]10-COO(-) IUPAC dodecoate ChEBI dodecylate ChEBI duodecyclate ChEBI duodecylate ChEBI laurate ChEBI laurostearate ChEBI n-dodecanoate ChEBI undecane-1-carboxylate ChEBI vulvate ChEBI 0 C5H9O3R 117.123 117.05517 OC[C@H]1O[C@@H]([*])C[C@@H]1O CHEBI:1083 CHEBI:11394 CHEBI:11567 CHEBI:11568 CHEBI:19259 CHEBI:19560 CHEBI:4421 KEGG:C02269 KEGG:C03216 chebi_ontology 2'-Deoxynucleoside 2'-deoxyribonucleosides 2-Deoxy-D-ribosyl-base Deoxynucleoside a 2'-deoxyribonucleoside CHEBI:18274 2'-deoxyribonucleoside 2'-Deoxynucleoside KEGG_COMPOUND 2'-deoxyribonucleosides ChEBI 2-Deoxy-D-ribosyl-base KEGG_COMPOUND Deoxynucleoside KEGG_COMPOUND a 2'-deoxyribonucleoside UniProt dihydrogen That part of DNA or RNA that may be involved in pairing. CHEBI:13873 CHEBI:25598 CHEBI:2995 KEGG:C00701 Wikipedia:Nucleobase chebi_ontology Base nucleobases CHEBI:18282 nucleobase Base KEGG_COMPOUND nucleobases ChEBI 0 C12H23O14P InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 LABSPYBHMPDTEL-LIZSDCNHSA-N 422.27638 422.08254 OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:10201 CHEBI:12285 CHEBI:15252 CHEBI:22364 Beilstein:59815 CAS:4484-88-2 DrugBank:DB02430 KEGG:C00689 KEGG:G09795 KNApSAcK:C00007451 alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside chebi_ontology Trehalose 6-phosphate alpha,alpha'-Trehalose 6-phosphate alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate) CHEBI:18283 alpha,alpha-trehalose 6-phosphate Beilstein:59815 Beilstein CAS:4484-88-2 ChemIDplus CAS:4484-88-2 KEGG COMPOUND alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside IUPAC Trehalose 6-phosphate KEGG_COMPOUND alpha,alpha'-Trehalose 6-phosphate KEGG_COMPOUND alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate) ChemIDplus 0 Mn InChI=1S/Mn PWHULOQIROXLJO-UHFFFAOYSA-N 54.93805 54.93804 [Mn] CHEBI:13382 CHEBI:25153 CHEBI:6681 CAS:7439-96-5 KEGG:C00034 WebElements:Mn manganese chebi_ontology 25Mn Mangan Manganese Mn manganese manganeso manganum CHEBI:18291 manganese atom CAS:7439-96-5 ChemIDplus CAS:7439-96-5 KEGG COMPOUND manganese IUPAC 25Mn IUPAC Mangan NIST_Chemistry_WebBook Manganese KEGG_COMPOUND Mn IUPAC Mn UniProt manganese ChEBI manganeso ChEBI manganum ChEBI An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. 0 C12H18O3 InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 ZNJFBWYDHIGLCU-HWKXXFMVSA-N 210.273 210.12559 CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O CHEBI:14486 CHEBI:18487 CHEBI:95 BPDB:2440 CAS:6894-38-8 Chemspider:4444606 FooDB:FDB015493 HMDB:HMDB0032797 KEGG:C08491 KNApSAcK:C00000218 LIPID_MAPS_instance:LMFA02020001 PDBeChem:JAA PMID:17470145 PMID:19704561 PMID:28223489 PMID:33516967 Reaxys:2692609 Wikipedia:Jasmonic_acid Jasmonic acid {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid chebi_ontology (-)-Jasmonic acid (-)-jasmonic acid (1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acid (1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid 2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetate Jasmonate CHEBI:18292 jasmonic acid CAS:6894-38-8 ChemIDplus CAS:6894-38-8 KEGG COMPOUND LIPID_MAPS_instance:LMFA02020001 LIPID MAPS PMID:17470145 Europe PMC PMID:19704561 Europe PMC PMID:28223489 Europe PMC PMID:33516967 Europe PMC Reaxys:2692609 Reaxys Jasmonic acid KEGG_COMPOUND {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid IUPAC (-)-Jasmonic acid KEGG_COMPOUND (-)-jasmonic acid ChEBI (1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acid ChEBI (1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid LIPID_MAPS 2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetate IUBMB Jasmonate KEGG_COMPOUND A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. 0 C5H9N3 InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N 111.14518 111.07965 NCCc1c[nH]cn1 CHEBI:14401 CHEBI:24596 CHEBI:43187 CHEBI:817 Beilstein:2012 CAS:51-45-6 Drug_Central:1375 Gmelin:2968 HMDB:HMDB0000870 KEGG:C00388 KEGG:D08040 KNApSAcK:C00001414 MetaCyc:HISTAMINE PDBeChem:HSM PMID:16399866 PMID:19547708 PMID:19843401 PMID:22770225 PMID:24101735 Reaxys:2012 Wikipedia:Histamine 2-(1H-imidazol-4-yl)ethanamine HISTAMINE Histamine chebi_ontology 1H-Imidazole-4-ethanamine 2-(4-Imidazolyl)ethylamine CHEBI:18295 histamine Beilstein:2012 Beilstein CAS:51-45-6 ChemIDplus CAS:51-45-6 KEGG COMPOUND CAS:51-45-6 NIST Chemistry WebBook Drug_Central:1375 DrugCentral Gmelin:2968 Gmelin PMID:16399866 Europe PMC PMID:19547708 Europe PMC PMID:19843401 Europe PMC PMID:22770225 Europe PMC PMID:24101735 Europe PMC Reaxys:2012 Reaxys 2-(1H-imidazol-4-yl)ethanamine IUPAC HISTAMINE PDBeChem Histamine KEGG_COMPOUND 1H-Imidazole-4-ethanamine KEGG_COMPOUND 2-(4-Imidazolyl)ethylamine KEGG_COMPOUND A butenedioic acid in which the double bond has cis- (Z)-configuration. 0 C4H4O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- VZCYOOQTPOCHFL-UPHRSURJSA-N 116.07216 116.01096 OC(=O)\C=C/C(O)=O CHEBI:25119 CHEBI:43836 CHEBI:6653 Beilstein:1903639 Beilstein:605762 CAS:110-16-7 DrugBank:DB04299 Gmelin:49854 HMDB:HMDB0000176 KEGG:C01384 KNApSAcK:C00007417 MetaCyc:MALEATE PDBeChem:MAE PMID:10952545 PMID:11386868 PMID:22770225 PMID:9591280 Reaxys:605762 Wikipedia:Maleic_acid (2Z)-but-2-enedioic acid MALEIC ACID Maleic acid chebi_ontology (Z)-2-butenedioic acid (Z)-butenedioic acid H2male cis-1,2-ethylenedicarboxylic acid cis-Butenedioic acid cis-but-2-enedioic acid toxilic acid CHEBI:18300 maleic acid Beilstein:1903639 Beilstein Beilstein:605762 Beilstein CAS:110-16-7 ChemIDplus CAS:110-16-7 KEGG COMPOUND CAS:110-16-7 NIST Chemistry WebBook Gmelin:49854 Gmelin PMID:10952545 Europe PMC PMID:11386868 Europe PMC PMID:22770225 Europe PMC PMID:9591280 Europe PMC Reaxys:605762 Reaxys (2Z)-but-2-enedioic acid IUPAC MALEIC ACID PDBeChem Maleic acid KEGG_COMPOUND (Z)-2-butenedioic acid NIST_Chemistry_WebBook (Z)-butenedioic acid NIST_Chemistry_WebBook H2male IUPAC cis-1,2-ethylenedicarboxylic acid NIST_Chemistry_WebBook cis-Butenedioic acid KEGG_COMPOUND cis-but-2-enedioic acid IUPAC toxilic acid NIST_Chemistry_WebBook A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. 0 C3H4O2 InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) NIXOWILDQLNWCW-UHFFFAOYSA-N 72.06266 72.02113 OC(=O)C=C CHEBI:19766 CHEBI:19768 CHEBI:35853 CHEBI:40714 CHEBI:8487 Beilstein:635743 CAS:79-10-7 DrugBank:DB02579 Gmelin:1817 HMDB:HMDB0031647 KEGG:C00511 LIPID_MAPS_instance:LMFA01030193 MetaCyc:MY148411 MetaCyc:MY149879 PDBeChem:AKR PMID:24650085 PMID:24673501 Reaxys:635743 Wikipedia:Acrylic_acid ACRYLIC ACID Acrylic acid prop-2-enoic acid chebi_ontology 2-Propenoic acid Acrylate Propenoate Propenoic acid Vinylformic acid acroleic acid ethylenecarboxylic acid CHEBI:18308 acrylic acid Beilstein:635743 Beilstein CAS:79-10-7 ChemIDplus CAS:79-10-7 KEGG COMPOUND CAS:79-10-7 NIST Chemistry WebBook Gmelin:1817 Gmelin LIPID_MAPS_instance:LMFA01030193 LIPID MAPS PMID:24650085 Europe PMC PMID:24673501 Europe PMC Reaxys:635743 Reaxys ACRYLIC ACID PDBeChem Acrylic acid KEGG_COMPOUND prop-2-enoic acid IUPAC 2-Propenoic acid KEGG_COMPOUND Acrylate KEGG_COMPOUND Propenoate KEGG_COMPOUND Propenoic acid ChemIDplus Vinylformic acid KEGG_COMPOUND acroleic acid ChemIDplus ethylenecarboxylic acid NIST_Chemistry_WebBook An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. 0 CH3R 15.035 15.02348 C[*] CHEBI:13435 CHEBI:22317 CHEBI:2576 KEGG:C01371 Alkane alkane alkanes chebi_ontology Alkan RH alcane alcanes alcano alcanos an alkane CHEBI:18310 alkane Alkane KEGG_COMPOUND alkane IUPAC alkanes IUPAC Alkan ChEBI RH KEGG_COMPOUND alcane IUPAC alcanes IUPAC alcano IUPAC alcanos IUPAC an alkane UniProt The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. 0 C4H10O2S2 InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2 VHJLVAABSRFDPM-UHFFFAOYSA-N 154.25100 154.01222 OC(CS)C(O)CS CHEBI:11174 CHEBI:23854 CHEBI:4664 Beilstein:8144556 CAS:3483-12-3 DrugBank:DB04447 KEGG:C00265 LINCS:LSM-36870 PMID:16901854 PMID:18022205 PMID:23673948 PMID:24124079 PMID:7592847 1,4-Dithiothreitol 1,4-dithiothreitol rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol chebi_ontology (R*,R*)-1,4-dimercapto-2,3-butanediol Cleland's reagent DL-threo-1,4-Dimercapto-2,3-butanediol DTL DTT Dithiothreitol Dithiotreitol rac-Dithiothreitol threo-1,4-Dimercapto-2,3-butanediol CHEBI:18320 1,4-dithiothreitol Beilstein:8144556 Beilstein CAS:3483-12-3 ChemIDplus CAS:3483-12-3 KEGG COMPOUND CAS:3483-12-3 NIST Chemistry WebBook PMID:16901854 Europe PMC PMID:18022205 Europe PMC PMID:23673948 Europe PMC PMID:24124079 Europe PMC PMID:7592847 Europe PMC 1,4-Dithiothreitol KEGG_COMPOUND 1,4-dithiothreitol UniProt rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol IUPAC (R*,R*)-1,4-dimercapto-2,3-butanediol NIST_Chemistry_WebBook Cleland's reagent NIST_Chemistry_WebBook DL-threo-1,4-Dimercapto-2,3-butanediol ChemIDplus DTL ChEBI DTT ChEBI Dithiothreitol KEGG_COMPOUND Dithiotreitol ChemIDplus rac-Dithiothreitol ChemIDplus threo-1,4-Dimercapto-2,3-butanediol KEGG_COMPOUND The L-enantiomer of thyroxine. 0 C15H11I4NO4 InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 XUIIKFGFIJCVMT-LBPRGKRZSA-N 776.87006 776.68669 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHEBI:13177 CHEBI:21406 CHEBI:45848 CHEBI:7663 Beilstein:2228515 Beilstein:7002831 CAS:51-48-9 DrugBank:DB00451 Drug_Central:2646 KEGG:C01829 KEGG:D08125 LINCS:LSM-5447 PDBeChem:T44 PMID:15206581 PMID:18996189 PMID:20483419 PMID:2062236 PMID:21035598 PMID:24216002 PMID:24548294 PMID:24610609 VSDB:3004 Wikipedia:Levothyroxine L-Thyroxine L-thyroxine chebi_ontology 3,3',5,5'-tetraiodo-L-thyronine 3,5,3',5'-TETRAIODO-L-THYRONINE 3,5,3',5'-tetraiodo-L-thyronine 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine L-T4 LT4 Levothyroxin O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine T4 levothyroxine CHEBI:18332 L-thyroxine Beilstein:2228515 Beilstein Beilstein:7002831 Beilstein CAS:51-48-9 ChemIDplus CAS:51-48-9 KEGG COMPOUND Drug_Central:2646 DrugCentral PMID:15206581 Europe PMC PMID:18996189 Europe PMC PMID:20483419 Europe PMC PMID:2062236 Europe PMC PMID:21035598 Europe PMC PMID:24216002 Europe PMC PMID:24548294 Europe PMC PMID:24610609 Europe PMC L-Thyroxine KEGG_COMPOUND L-thyroxine IUPAC 3,3',5,5'-tetraiodo-L-thyronine ChemIDplus 3,5,3',5'-TETRAIODO-L-THYRONINE PDBeChem 3,5,3',5'-tetraiodo-L-thyronine ChemIDplus 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine IUPAC L-T4 ChemIDplus LT4 ChEBI Levothyroxin KEGG_COMPOUND O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine PDBeChem T4 ChEBI T4 KEGG_COMPOUND levothyroxine ChemIDplus -4 O7P2 InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4 XPPKVPWEQAFLFU-UHFFFAOYSA-J 173.94332 173.91412 [O-]P([O-])(=O)OP([O-])([O-])=O CHEBI:13420 CHEBI:42009 CAS:14000-31-8 Gmelin:26938 KEGG:C00013 PDBeChem:DPO diphosphate mu-oxido-bis(trioxidophosphate)(4-) mu-oxo-hexaoxodiphosphate chebi_ontology DIPHOSPHATE Diphosphat Diphosphate P2O7(4-) PPi Pyrophosphat Pyrophosphate [O3POPO3](4-) pyrophosphate ion CHEBI:18361 diphosphate(4-) CAS:14000-31-8 ChemIDplus Gmelin:26938 Gmelin diphosphate IUPAC mu-oxido-bis(trioxidophosphate)(4-) IUPAC mu-oxo-hexaoxodiphosphate IUPAC DIPHOSPHATE PDBeChem Diphosphat ChEBI Diphosphate KEGG_COMPOUND P2O7(4-) IUPAC PPi KEGG_COMPOUND Pyrophosphat ChEBI Pyrophosphate KEGG_COMPOUND [O3POPO3](4-) IUPAC pyrophosphate ion ChemIDplus A phosphate ion that is the conjugate base of hydrogenphosphate. -3 O4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 NBIIXXVUZAFLBC-UHFFFAOYSA-K 94.97136 94.95507 [O-]P([O-])([O-])=O CHEBI:14791 CHEBI:45024 CHEBI:7793 Beilstein:3903772 CAS:14265-44-2 Gmelin:1997 KEGG:C00009 PDBeChem:PO4 Reaxys:3903772 phosphate tetraoxidophosphate(3-) tetraoxophosphate(3-) tetraoxophosphate(V) chebi_ontology Orthophosphate PHOSPHATE ION PO4(3-) Phosphate [PO4](3-) CHEBI:18367 phosphate(3-) Beilstein:3903772 Beilstein CAS:14265-44-2 ChemIDplus CAS:14265-44-2 KEGG COMPOUND Gmelin:1997 Gmelin PDBeChem:PO4 ChEBI Reaxys:3903772 Reaxys phosphate IUPAC tetraoxidophosphate(3-) IUPAC tetraoxophosphate(3-) IUPAC tetraoxophosphate(V) IUPAC Orthophosphate KEGG_COMPOUND PHOSPHATE ION PDBeChem PO4(3-) IUPAC Phosphate KEGG_COMPOUND [PO4](3-) IUPAC A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate. 0 C5H7O5PR2 178.07980 178.00311 OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1 CHEBI:1331 CHEBI:14672 CHEBI:19833 chebi_ontology nucleoside 3',5'-cyclic phosphates CHEBI:18375 nucleoside 3',5'-cyclic phosphate nucleoside 3',5'-cyclic phosphates ChEBI A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it. 0 CNR 26.01740 26.00307 [*]C#N CHEBI:13212 CHEBI:13426 CHEBI:13660 CHEBI:25547 CHEBI:7584 KEGG:C00726 Nitrile nitrile nitriles chebi_ontology Nitril R-CN a nitrile nitrilos CHEBI:18379 nitrile Nitrile KEGG_COMPOUND nitrile IUPAC nitriles IUPAC Nitril ChEBI R-CN KEGG_COMPOUND a nitrile UniProt nitrilos IUPAC A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. +1 C12H17N4OS InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 JZRWCGZRTZMZEH-UHFFFAOYSA-N 265.350 265.11176 CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N CHEBI:15227 CHEBI:26941 CHEBI:46393 CHEBI:9530 Beilstein:3595616 CAS:70-16-6 Chemspider:1098 DrugBank:DB00152 Drug_Central:2832 FooDB:FDB008424 Gmelin:334462 HMDB:HMDB0000235 KEGG:C00378 KNApSAcK:C00000775 LINCS:LSM-5996 MetaCyc:THIAMINE PDBeChem:VIB PMID:10436256 PMID:10542220 PMID:10883001 PMID:11015250 PMID:11435118 PMID:11899071 PMID:11977806 PMID:12111441 PMID:1538220 PMID:15451668 PMID:15862682 PMID:16645728 PMID:17964830 PMID:18652651 PMID:21706007 PMID:21848803 PMID:24079939 PMID:24768306 PMID:7291135 PMID:7731897 PMID:7733128 PMID:8192530 PMID:8205249 PMID:8522961 PMID:8619543 PMID:9387133 Wikipedia:Thiamine 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chebi_ontology 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM Aneurin Antiberiberi factor Thiamin Thiamine Vitamin B1 thiamine thiamine cation thiamine ion thiamine(1+) ion thiaminium vitamin B1 CHEBI:18385 thiamine(1+) Beilstein:3595616 Beilstein CAS:70-16-6 ChemIDplus Drug_Central:2832 DrugCentral Gmelin:334462 Gmelin PMID:10436256 Europe PMC PMID:10542220 Europe PMC PMID:10883001 Europe PMC PMID:11015250 Europe PMC PMID:11435118 Europe PMC PMID:11899071 Europe PMC PMID:11977806 Europe PMC PMID:12111441 Europe PMC PMID:1538220 Europe PMC PMID:15451668 Europe PMC PMID:15862682 Europe PMC PMID:16645728 Europe PMC PMID:17964830 Europe PMC PMID:18652651 Europe PMC PMID:21706007 Europe PMC PMID:21848803 Europe PMC PMID:24079939 Europe PMC PMID:24768306 Europe PMC PMID:7291135 Europe PMC PMID:7731897 Europe PMC PMID:7733128 Europe PMC PMID:8192530 Europe PMC PMID:8205249 Europe PMC PMID:8522961 Europe PMC PMID:8619543 Europe PMC PMID:9387133 Europe PMC 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium IUPAC 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM PDBeChem Aneurin KEGG_COMPOUND Antiberiberi factor KEGG_COMPOUND Thiamin KEGG_COMPOUND Thiamine KEGG_COMPOUND Vitamin B1 KEGG_COMPOUND thiamine UniProt thiamine cation ChEBI thiamine ion ChemIDplus thiamine(1+) ion ChEBI thiaminium ChEBI vitamin B1 ChEBI A monocarboxylic acid anion that is the conjugate base of phenylacetic acid. -1 C8H7O2 InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1 WLJVXDMOQOGPHL-UHFFFAOYSA-M 135.13998 135.04515 [O-]C(=O)Cc1ccccc1 CHEBI:14779 CHEBI:25975 Beilstein:3539899 Gmelin:327522 MetaCyc:PHENYLACETATE Reaxys:3539899 UM-BBD_compID:c0211 phenylacetate chebi_ontology 2-phenylacetate 2-phenylethanoate phenylacetate anion phenylacetate(1-) phenylacetic acid anion CHEBI:18401 phenylacetate Beilstein:3539899 Beilstein Gmelin:327522 Gmelin Reaxys:3539899 Reaxys UM-BBD_compID:c0211 UM-BBD phenylacetate IUPAC 2-phenylacetate UniProt 2-phenylethanoate ChEBI phenylacetate anion ChEBI phenylacetate(1-) ChEBI phenylacetic acid anion ChEBI A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom 0 CHN InChI=1S/CHN/c1-2/h1H LELOWRISYMNNSU-UHFFFAOYSA-N 27.02530 27.01090 C#N CHEBI:13362 CHEBI:5786 CAS:74-90-8 HMDB:HMDB0060292 KEGG:C01326 KNApSAcK:C00007569 MetaCyc:HCN PMID:19849830 PMID:26700190 PMID:26778429 PMID:26823582 PMID:26940198 PMID:27123778 Reaxys:1718793 Wikipedia:Hydrogen_cyanide Hydrogen cyanide hydridonitridocarbon hydrogen cyanide hydrogen(nitridocarbonate) methanenitrile chebi_ontology Blausaeure Cyanwasserstoff HCN [CHN] formonitrile hydrocyanic acid CHEBI:18407 hydrogen cyanide CAS:74-90-8 ChemIDplus CAS:74-90-8 KEGG COMPOUND CAS:74-90-8 NIST Chemistry WebBook PMID:19849830 Europe PMC PMID:26700190 Europe PMC PMID:26778429 Europe PMC PMID:26823582 Europe PMC PMID:26940198 Europe PMC PMID:27123778 Europe PMC Reaxys:1718793 Reaxys Hydrogen cyanide KEGG_COMPOUND hydridonitridocarbon IUPAC hydrogen cyanide IUPAC hydrogen cyanide UniProt hydrogen(nitridocarbonate) IUPAC methanenitrile IUPAC Blausaeure ChEBI Cyanwasserstoff NIST_Chemistry_WebBook HCN KEGG_COMPOUND [CHN] IUPAC formonitrile IUPAC hydrocyanic acid NIST_Chemistry_WebBook -1 O2 InChI=1S/HO2/c1-2/h1H/p-1 OUUQCZGPVNCOIJ-UHFFFAOYSA-M 31.999 31.98983 [O][O-] CHEBI:15143 CHEBI:26839 CHEBI:7710 CAS:11062-77-4 Chemspider:4514331 FooDB:FDB022880 Gmelin:487 HMDB:HMDB0002168 KEGG:C00704 MetaCyc:SUPER-OXIDE PDBeChem:2FK PMID:10440226 PMID:10523323 PMID:10588368 PMID:11008114 PMID:11333112 PMID:11485972 PMID:12097818 PMID:12137408 PMID:12598407 PMID:14529453 PMID:14703794 PMID:14726604 PMID:15586010 PMID:15807660 PMID:15952898 PMID:1671684 PMID:16771675 PMID:16814528 PMID:17052238 PMID:17303648 PMID:17531522 PMID:18519744 PMID:18827931 PMID:19273321 PMID:19482633 PMID:19628033 PMID:19857607 PMID:19914407 PMID:20868230 PMID:21297912 PMID:21434856 PMID:21473702 PMID:2160451 PMID:217531 PMID:22198225 PMID:22247596 PMID:22521482 PMID:22729857 PMID:22759590 PMID:23542447 PMID:23660153 PMID:23668959 PMID:24567847 PMID:24862271 PMID:2552230 PMID:26047895 PMID:26475962 PMID:26875845 PMID:27066025 PMID:27066179 PMID:27085844 PMID:27357008 PMID:27590268 PMID:27965593 PMID:28341974 PMID:28599858 PMID:28825637 PMID:28842347 PMID:28842493 PMID:29259135 PMID:29385710 PMID:29669742 PMID:29896077 PMID:30307099 PMID:30500433 PMID:30573187 PMID:30886134 PMID:31254369 PMID:31484901 PMID:32144830 PMID:32220789 PMID:32478084 PMID:32667121 PMID:32760286 PMID:32927603 PMID:33248264 PMID:33716500 PMID:33805942 PMID:34635271 PMID:7998676 PMID:8577306 PMID:8720916 PMID:8959373 PMID:9337481 Wikipedia:Superoxide dioxidanidyl dioxide(.1-) superoxide chebi_ontology (O2)(.-) Dioxid(1-) Hyperoxid O2(-) O2(.-) O2- O2.- Superoxide anion dioxide(1-) hiperoxido hyperoxide superoxide anion radical superoxide radical superoxide radical anion superoxido superoxyde CHEBI:18421 superoxide CAS:11062-77-4 ChemIDplus CAS:11062-77-4 NIST Chemistry WebBook Gmelin:487 Gmelin PMID:10440226 Europe PMC PMID:10523323 Europe PMC PMID:10588368 Europe PMC PMID:11008114 Europe PMC PMID:11333112 Europe PMC PMID:11485972 Europe PMC PMID:12097818 Europe PMC PMID:12137408 Europe PMC PMID:12598407 Europe PMC PMID:14529453 Europe PMC PMID:14703794 Europe PMC PMID:14726604 Europe PMC PMID:15586010 Europe PMC PMID:15807660 Europe PMC PMID:15952898 Europe PMC PMID:1671684 Europe PMC PMID:16771675 Europe PMC PMID:16814528 Europe PMC PMID:17052238 Europe PMC PMID:17303648 Europe PMC PMID:17531522 Europe PMC PMID:18519744 Europe PMC PMID:18827931 Europe PMC PMID:19273321 Europe PMC PMID:19482633 Europe PMC PMID:19628033 Europe PMC PMID:19857607 Europe PMC PMID:19914407 Europe PMC PMID:20868230 Europe PMC PMID:21297912 Europe PMC PMID:21434856 Europe PMC PMID:21473702 Europe PMC PMID:2160451 Europe PMC PMID:217531 Europe PMC PMID:22198225 Europe PMC PMID:22247596 Europe PMC PMID:22521482 Europe PMC PMID:22729857 Europe PMC PMID:22759590 Europe PMC PMID:23542447 Europe PMC PMID:23660153 Europe PMC PMID:23668959 Europe PMC PMID:24567847 Europe PMC PMID:24862271 Europe PMC PMID:2552230 Europe PMC PMID:26047895 Europe PMC PMID:26475962 Europe PMC PMID:26875845 Europe PMC PMID:27066025 Europe PMC PMID:27066179 Europe PMC PMID:27085844 Europe PMC PMID:27357008 Europe PMC PMID:27590268 Europe PMC PMID:27965593 Europe PMC PMID:28341974 Europe PMC PMID:28599858 Europe PMC PMID:28825637 Europe PMC PMID:28842347 Europe PMC PMID:28842493 Europe PMC PMID:29259135 Europe PMC PMID:29385710 Europe PMC PMID:29669742 Europe PMC PMID:29896077 Europe PMC PMID:30307099 Europe PMC PMID:30500433 Europe PMC PMID:30573187 Europe PMC PMID:30886134 Europe PMC PMID:31254369 Europe PMC PMID:31484901 Europe PMC PMID:32144830 Europe PMC PMID:32220789 Europe PMC PMID:32478084 Europe PMC PMID:32667121 Europe PMC PMID:32760286 Europe PMC PMID:32927603 Europe PMC PMID:33248264 Europe PMC PMID:33716500 Europe PMC PMID:33805942 Europe PMC PMID:34635271 Europe PMC PMID:7998676 Europe PMC PMID:8577306 Europe PMC PMID:8720916 Europe PMC PMID:8959373 Europe PMC PMID:9337481 Europe PMC dioxidanidyl IUPAC dioxide(.1-) IUPAC superoxide IUPAC superoxide UniProt (O2)(.-) IUPAC Dioxid(1-) ChEBI Hyperoxid ChEBI O2(-) IUPAC O2(.-) IUPAC O2- KEGG_COMPOUND O2.- KEGG_COMPOUND Superoxide anion KEGG_COMPOUND dioxide(1-) IUPAC hiperoxido ChEBI hyperoxide IUPAC superoxide anion radical ChemIDplus superoxide radical ChEBI superoxide radical anion ChEBI superoxido ChEBI superoxyde ChEBI sulphur dioxide http://langual.org 0 O2S InChI=1S/O2S/c1-3-2 RAHZWNYVWXNFOC-UHFFFAOYSA-N 64.06480 63.96190 O=S=O CHEBI:45789 CHEBI:8992 CHEBI:9351 CAS:7446-09-5 Codex::220 Europe::220 Gmelin:1443 KEGG:C05532 KEGG:C09306 KEGG:D05961 PDBeChem:SO2 http://www.langual.org/langual_thesaurus.asp?termid=B3295 SULFUR DIOXIDE Sulfur dioxide dioxidosulfur sulfur dioxide chebi_ontology R-764 SO2 Schwefel(IV)-oxid Schwefeldioxid [SO2] sulfurous anhydride sulfurous oxide sulphur dioxide sulfur dioxide CHEBI:18422 LanguaL term definition: Food additive; technological purpose(s): antioxidant, preservative. sulfur dioxide A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3. +2 C8H20N6O4 InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/p+2/t1-,2+,3-,4+,5-,6- MSXMXWJPFIDEMT-FAEUDGQSSA-P 264.285 264.15351 NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=[NH2+])[C@@H]1O {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium) chebi_ontology streptidine streptidine dication {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium) CHEBI:184376 streptidine(2+) {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium) IUPAC streptidine UniProt streptidine dication ChEBI {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium) IUPAC A 1,3-dichloropropene with a (E)-configuration. 0 C3H4Cl2 InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+ UOORRWUZONOOLO-OWOJBTEDSA-N 110.97000 109.96901 ClC\C=C\Cl Beilstein:8403040 CAS:10061-02-6 CAS:542-75-6 HMDB:HMDB0013592 KEGG:C06609 KEGG:C18627 MetaCyc:CPD-9112 PMID:15473640 PMID:18576217 PMID:23899962 Reaxys:8403040 UM-BBD_compID:c0611 (1E)-1,3-dichloroprop-1-ene (E)-1,3-Dichloropropene chebi_ontology (1E)-1,3-Dichloro-1-propene (E)-1,3-Dichloro-1-propene D-D 92 trans-1,3-Dichloro-1-propene trans-1,3-Dichloropropene trans-1,3-Dichloropropylene trans-3-Chloroallyl chloride CHEBI:18624 (E)-1,3-dichloropropene Beilstein:8403040 Beilstein CAS:10061-02-6 ChemIDplus CAS:10061-02-6 KEGG COMPOUND CAS:10061-02-6 NIST Chemistry WebBook CAS:542-75-6 KEGG COMPOUND PMID:15473640 Europe PMC PMID:18576217 Europe PMC PMID:23899962 Europe PMC Reaxys:8403040 Reaxys UM-BBD_compID:c0611 UM-BBD (1E)-1,3-dichloroprop-1-ene IUPAC (E)-1,3-Dichloropropene ChemIDplus (1E)-1,3-Dichloro-1-propene NIST_Chemistry_WebBook (E)-1,3-Dichloro-1-propene ChemIDplus D-D 92 KEGG_COMPOUND trans-1,3-Dichloro-1-propene ChemIDplus trans-1,3-Dichloropropene KEGG_COMPOUND trans-1,3-Dichloropropylene NIST_Chemistry_WebBook trans-3-Chloroallyl chloride KEGG_COMPOUND A racemate composed of equimolar amounts of (R)- and (S)-nicotine. Beilstein:82108 Beilstein:82111 CAS:22083-74-5 DrugBank:DB00184 HMDB:HMDB0014330 KEGG:C16150 KNApSAcK:C00002057 PMID:10751565 PMID:11192937 PMID:11471991 PMID:11559179 PMID:11682702 PMID:11714820 PMID:11719700 PMID:11801622 PMID:11818389 PMID:11860617 PMID:12197757 PMID:12700710 PMID:12965231 PMID:14715938 PMID:15183514 PMID:15251917 PMID:15313135 PMID:15458549 PMID:15707677 PMID:15894687 PMID:15960296 PMID:15961264 PMID:16496293 PMID:16950410 PMID:17167832 PMID:17206646 PMID:17438652 PMID:17498149 PMID:17942810 PMID:18077004 PMID:18311975 PMID:18380035 PMID:18383130 PMID:18651995 PMID:18922921 PMID:19100331 PMID:19287496 PMID:19389046 PMID:19465085 PMID:20338106 PMID:20528766 PMID:21636612 PMID:21822688 PMID:21945235 PMID:22129149 PMID:22218403 PMID:22331007 PMID:22377934 PMID:22448647 PMID:22459798 PMID:22529223 PMID:22573728 PMID:22585541 PMID:22589423 PMID:22770225 PMID:22792725 PMID:22855884 PMID:22930863 PMID:22935730 PMID:23108361 PMID:23117126 PMID:7097594 PMID:7564279 PMID:7566693 PMID:7807214 PMID:7896575 PMID:8156919 PMID:8545712 PMID:8764340 PMID:9203638 PMID:9450943 PMID:9621392 Reaxys:82108 UM-BBD_compID:c0468 Wikipedia:Nicotine rac-3-(1-methylpyrrolidin-2-yl)pyridine chebi_ontology (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine (+-)-nicotine (R,S)-nicotine (RS)-nicotine nicotin nikotin CHEBI:18723 nicotine Beilstein:82108 Beilstein Beilstein:82108 Beilstein Beilstein:82111 Beilstein Beilstein:82111 Beilstein CAS:22083-74-5 ChemIDplus CAS:22083-74-5 KEGG COMPOUND CAS:22083-74-5 ChemIDplus CAS:22083-74-5 KEGG COMPOUND PMID:10751565 Europe PMC PMID:10751565 Europe PMC PMID:11192937 Europe PMC PMID:11192937 Europe PMC PMID:11471991 Europe PMC PMID:11471991 Europe PMC PMID:11559179 Europe PMC PMID:11559179 Europe PMC PMID:11682702 Europe PMC PMID:11682702 Europe PMC PMID:11714820 Europe PMC PMID:11714820 Europe PMC PMID:11719700 Europe PMC PMID:11719700 Europe PMC PMID:11801622 Europe PMC PMID:11801622 Europe PMC PMID:11818389 Europe PMC PMID:11818389 Europe PMC PMID:11860617 Europe PMC PMID:11860617 Europe PMC PMID:12197757 Europe PMC PMID:12197757 Europe PMC PMID:12700710 Europe PMC PMID:12700710 Europe PMC PMID:12965231 Europe PMC PMID:12965231 Europe PMC PMID:14715938 Europe PMC PMID:14715938 Europe PMC PMID:15183514 Europe PMC PMID:15183514 Europe PMC PMID:15251917 Europe PMC PMID:15251917 Europe PMC PMID:15313135 Europe PMC PMID:15313135 Europe PMC PMID:15458549 Europe PMC PMID:15458549 Europe PMC PMID:15707677 Europe PMC PMID:15707677 Europe PMC PMID:15894687 Europe PMC PMID:15894687 Europe PMC PMID:15960296 Europe PMC PMID:15960296 Europe PMC PMID:15961264 Europe PMC PMID:15961264 Europe PMC PMID:16496293 Europe PMC PMID:16496293 Europe PMC PMID:16950410 Europe PMC PMID:16950410 Europe PMC PMID:17167832 Europe PMC PMID:17167832 Europe PMC PMID:17206646 Europe PMC PMID:17206646 Europe PMC PMID:17438652 Europe PMC PMID:17438652 Europe PMC PMID:17498149 Europe PMC PMID:17498149 Europe PMC PMID:17942810 Europe PMC PMID:17942810 Europe PMC PMID:18077004 Europe PMC PMID:18077004 Europe PMC PMID:18311975 Europe PMC PMID:18311975 Europe PMC PMID:18380035 Europe PMC PMID:18380035 Europe PMC PMID:18383130 Europe PMC PMID:18383130 Europe PMC PMID:18651995 Europe PMC PMID:18651995 Europe PMC PMID:18922921 Europe PMC PMID:18922921 Europe PMC PMID:19100331 Europe PMC PMID:19100331 Europe PMC PMID:19287496 Europe PMC PMID:19287496 Europe PMC PMID:19389046 Europe PMC PMID:19389046 Europe PMC PMID:19465085 Europe PMC PMID:19465085 Europe PMC PMID:20338106 Europe PMC PMID:20338106 Europe PMC PMID:20528766 Europe PMC PMID:20528766 Europe PMC PMID:21636612 Europe PMC PMID:21636612 Europe PMC PMID:21822688 Europe PMC PMID:21822688 Europe PMC PMID:21945235 Europe PMC PMID:21945235 Europe PMC PMID:22129149 Europe PMC PMID:22129149 Europe PMC PMID:22218403 Europe PMC PMID:22218403 Europe PMC PMID:22331007 Europe PMC PMID:22331007 Europe PMC PMID:22377934 Europe PMC PMID:22377934 Europe PMC PMID:22448647 Europe PMC PMID:22448647 Europe PMC PMID:22459798 Europe PMC PMID:22459798 Europe PMC PMID:22529223 Europe PMC PMID:22529223 Europe PMC PMID:22573728 Europe PMC PMID:22573728 Europe PMC PMID:22585541 Europe PMC PMID:22585541 Europe PMC PMID:22589423 Europe PMC PMID:22589423 Europe PMC PMID:22770225 Europe PMC PMID:22770225 Europe PMC PMID:22792725 Europe PMC PMID:22792725 Europe PMC PMID:22855884 Europe PMC PMID:22855884 Europe PMC PMID:22930863 Europe PMC PMID:22930863 Europe PMC PMID:22935730 Europe PMC PMID:22935730 Europe PMC PMID:23108361 Europe PMC PMID:23108361 Europe PMC PMID:23117126 Europe PMC PMID:23117126 Europe PMC PMID:7097594 Europe PMC PMID:7097594 Europe PMC PMID:7564279 Europe PMC PMID:7564279 Europe PMC PMID:7566693 Europe PMC PMID:7566693 Europe PMC PMID:7807214 Europe PMC PMID:7807214 Europe PMC PMID:7896575 Europe PMC PMID:7896575 Europe PMC PMID:8156919 Europe PMC PMID:8156919 Europe PMC PMID:8545712 Europe PMC PMID:8545712 Europe PMC PMID:8764340 Europe PMC PMID:8764340 Europe PMC PMID:9203638 Europe PMC PMID:9203638 Europe PMC PMID:9450943 Europe PMC PMID:9450943 Europe PMC PMID:9621392 Europe PMC PMID:9621392 Europe PMC Reaxys:82108 Reaxys Reaxys:82108 Reaxys UM-BBD_compID:c0468 UM-BBD UM-BBD_compID:c0468 UM-BBD rac-3-(1-methylpyrrolidin-2-yl)pyridine IUPAC (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine KEGG_COMPOUND (+-)-nicotine ChemIDplus (R,S)-nicotine ChemIDplus (RS)-nicotine UM-BBD nicotin ChEBI nikotin ChEBI -1 C15H14ClN4O6S InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)/p-1 NSWAMPCUPHPTTC-UHFFFAOYSA-M 413.810 413.03281 C1=C(N=C(N=C1OC)NC([N-]S(C2=C(C=CC=C2)C(OCC)=O)(=O)=O)=O)Cl chebi_ontology chlorimuron-ethyl CHEBI:188144 chlorimuron-ethyl(1-) chlorimuron-ethyl UniProt An herbicide which is primarily composed of urea (also known as carbamide). chebi_ontology substituted urea herbicide CHEBI:188147 urea herbicide substituted urea herbicide SUBMITTER An herbicide which contains a chemically reactive phosphate ester side chain. chebi_ontology CHEBI:188148 organophosphorus herbicide An herbicide which has a benzene ring that contains a cyanide grouping. chebi_ontology CHEBI:188149 nitrile herbicide A rodenticide which contains one or more active ingredients and when consumed by rodents results in the inability to produce essential blood-clotting factors. Wikipedia:https://en.wikipedia.org/wiki/Rodenticide#Anticoagulants chebi_ontology CHEBI:188151 anticoagulant rodenticide Wikipedia:https://en.wikipedia.org/wiki/Rodenticide#Anticoagulants SUBMITTER A member of the class of hydrazines that is hydrazine substituted by two methyl groups at position 1. 0 C2H8N2 InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3 RHUYHJGZWVXEHW-UHFFFAOYSA-N 60.09830 60.06875 CN(C)N Beilstein:605261 CAS:57-14-7 KEGG:C19233 PMID:13438582 PMID:15585150 PMID:17234248 PMID:20638496 PMID:5569836 Reaxys:605261 Wikipedia:Unsymmetrical_dimethylhydrazine 1,1-dimethylhydrazine chebi_ontology 1,1-Dimethylhydrazin Dimazine N,N-Dimethylhydrazine gem-Dimethylhydrazine unsymmetrical dimethylhydrazine CHEBI:18853 1,1-dimethylhydrazine Beilstein:605261 Beilstein CAS:57-14-7 ChemIDplus CAS:57-14-7 KEGG COMPOUND CAS:57-14-7 NIST Chemistry WebBook PMID:13438582 Europe PMC PMID:15585150 Europe PMC PMID:17234248 Europe PMC PMID:20638496 Europe PMC PMID:5569836 Europe PMC Reaxys:605261 Reaxys 1,1-dimethylhydrazine IUPAC 1,1-Dimethylhydrazin ChemIDplus Dimazine ChemIDplus N,N-Dimethylhydrazine ChemIDplus gem-Dimethylhydrazine ChemIDplus unsymmetrical dimethylhydrazine ChEBI 0 C2H2Cl2 InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H KFUSEUYYWQURPO-UHFFFAOYSA-N 96.94268 95.95336 [H]C(Cl)=C([H])Cl Beilstein:1719345 CAS:540-59-0 Gmelin:100732 1,2-dichloroethene chebi_ontology 1,2-Dichloraethen 1,2-dichloroethylene acetylene dichloride CHEBI:18882 1,2-dichloroethene Beilstein:1719345 ChemIDplus CAS:540-59-0 ChemIDplus CAS:540-59-0 NIST Chemistry WebBook Gmelin:100732 Gmelin 1,2-dichloroethene IUPAC 1,2-Dichloraethen ChEBI 1,2-dichloroethylene ChemIDplus acetylene dichloride NIST_Chemistry_WebBook A chloropropene with two chloro substituents at positions 1 and 3 respectively.. PMID:19259476 Pesticides:1,3-dichloropropene Wikipedia:1,3-dichloropropene chebi_ontology CHEBI:18918 1,3-dichloropropene PMID:19259476 Europe PMC Pesticides:1,3-dichloropropene Alan Wood's Pesticides A lactone having a six-membered lactone ring. delta-lactone chebi_ontology 1,5-lactone 1,5-lactones delta-lactona delta-lactonas delta-lactones CHEBI:18946 delta-lactone delta-lactone ChEBI 1,5-lactone ChEBI 1,5-lactones ChEBI delta-lactona ChEBI delta-lactonas ChEBI delta-lactones ChEBI Any polyunsaturated fatty acid carrying one or more hydroperoxy substituents. 0 CH2O4R 78.024 77.99531 OO[*]C(O)=O chebi_ontology hydroperoxy polyunsaturated fatty acids CHEBI:189832 hydroperoxy polyunsaturated fatty acid hydroperoxy polyunsaturated fatty acids ChEBI A calcium salt that lacks C-H bonds PMID:28457049 chebi_ontology CHEBI:190295 inorganic calcium salt inorganic calcium salt PMID:28457049 SUBMITTER A magnesium salt that lacks C-H bonds PMID:16548135 chebi_ontology CHEBI:190297 inorganic magnesium salt A phosphate salt that lacks C-H bonds PMID:11434984 chebi_ontology CHEBI:190300 inorganic phosphate salt inorganic phosphate salt A potassium salt that lacks C-H bonds chebi_ontology CHEBI:190303 inorganic potassium salt A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds. 0 C12H10N2 InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H DMLAVOWQYNRWNQ-UHFFFAOYSA-N 182.22120 182.08440 c1ccc(cc1)N=Nc1ccccc1 Beilstein:742609 CAS:103-33-3 Gmelin:4376 PPDB:1296 diphenyldiazene chebi_ontology (E)-1,2-diphenyldiazene 1,2-Diphenyldiazene Azobenzide Azobenzol Azobisbenzene Azodibenzene Azodibenzeneazofume Azofume Benzeneazobenzene Benzofume Diazobenzene Diphenyldiazene Diphenyldiimide trans-Azobenzene CHEBI:190358 azobenzene Beilstein:742609 Beilstein CAS:103-33-3 ChemIDplus CAS:103-33-3 NIST Chemistry WebBook Gmelin:4376 Gmelin diphenyldiazene IUPAC (E)-1,2-diphenyldiazene NIST_Chemistry_WebBook 1,2-Diphenyldiazene ChemIDplus Azobenzide ChemIDplus Azobenzol ChemIDplus Azobisbenzene ChemIDplus Azodibenzene ChemIDplus Azodibenzeneazofume ChemIDplus Azofume ChemIDplus Benzeneazobenzene ChemIDplus Benzofume ChemIDplus Diazobenzene ChemIDplus Diphenyldiazene ChemIDplus Diphenyldiimide ChemIDplus trans-Azobenzene NIST_Chemistry_WebBook A iron salt that lacks C-H bonds chebi_ontology CHEBI:190420 inorganic iron salt inorganic iron salt An oxo carboxylic acid in which the parent hydrocarbon chain has one or more alkyl substituents. Derivatives formed from the first step in the metabolism of branched-chain amino acids and can provide important information on animal health and disease. PMCID:PMC8181598 PMID:23684523 PMID:29324714 PMID:31092703 PMID:31416902 PMID:31504096 PMID:32784821 PMID:32878988 PMID:33522397 PMID:34798641 PMID:35075301 chebi_ontology BCKA BCKAs branched-chain keto acids branched-chain ketoacid branched-chain ketoacids CHEBI:191197 branched-chain keto acid PMCID:PMC8181598 Europe PMC PMID:23684523 Europe PMC PMID:29324714 Europe PMC PMID:31092703 Europe PMC PMID:31416902 Europe PMC PMID:31504096 Europe PMC PMID:32784821 Europe PMC PMID:32878988 Europe PMC PMID:33522397 Europe PMC PMID:34798641 Europe PMC PMID:35075301 Europe PMC BCKA ChEBI BCKAs ChEBI branched-chain keto acids ChEBI branched-chain ketoacid ChEBI branched-chain ketoacids ChEBI An oxo carboxylic acid anion that is the conjugate base of branched-chain keto acid resulting from the deprotonation of the carboxy group. chebi_ontology BCKA anion BCKA anions branched-chain keto acid anions branched-chain ketoacid anion branched-chain ketoacid anions CHEBI:191201 branched-chain keto acid anion BCKA anion ChEBI BCKA anions ChEBI branched-chain keto acid anions ChEBI branched-chain ketoacid anion ChEBI branched-chain ketoacid anions ChEBI Any oxo steroid carrying the oxo group at position 17. 0 C18H27OR 259.407 259.20619 CC12CCC3C(CCC4CCCCC34[*])C1CCC2=O chebi_ontology 17-keto steroid 17-keto steroids 17-ketosteroid 17-ketosteroids 17-oxo steroids 17-oxosteroid 17-oxosteroids a 17-oxo steroid CHEBI:19168 17-oxo steroid 17-keto steroid ChEBI 17-keto steroids ChEBI 17-ketosteroid ChEBI 17-ketosteroids ChEBI 17-oxo steroids ChEBI 17-oxosteroid ChEBI 17-oxosteroids ChEBI a 17-oxo steroid UniProt A zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. 0 C17H18FN3O3 InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) MYSWGUAQZAJSOK-UHFFFAOYSA-N 331.347 331.13322 [O-]C(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O MetaCyc:CPD-12843 PMID:11202360 PMID:12084502 PMID:21368411 PMID:9303400 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate chebi_ontology CHEBI:192484 ciprofloxacin zwitterion PMID:11202360 SUBMITTER PMID:12084502 SUBMITTER PMID:21368411 Europe PMC PMID:9303400 SUBMITTER 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate IUPAC A secondary ammonium ion that is the conjugate acid of ciprofloxacin resulting from the protonation of the NH group; major species at acidic pH. +1 C17H19FN3O3 InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1 MYSWGUAQZAJSOK-UHFFFAOYSA-O 332.355 332.14050 OC(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O PMID:35371545 4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium chebi_ontology ciprofloxacin cation CHEBI:192486 ciprofloxacin(1+) PMID:35371545 Europe PMC 4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium IUPAC ciprofloxacin cation ChEBI anthoxanthin chebi_ontology pyrimidine 2'-deoxyribonucleosides CHEBI:19255 pyrimidine 2'-deoxyribonucleoside pyrimidine 2'-deoxyribonucleosides ChEBI The conjugate base of methylcarbamic acid; major microspecies at pH 7.3. -1 C2H4NO2 InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)/p-1 UFEJKYYYVXYMMS-UHFFFAOYSA-M 74.060 74.02475 CNC([O-])=O MetaCyc:CPD-22706 methylcarbamate chebi_ontology N-methyl carbamate N-methylcarbamate CHEBI:193111 methylcarbamate methylcarbamate IUPAC N-methyl carbamate UniProt N-methylcarbamate ChEBI A chlorophenoxyacetate anion obtained by deprotonation of the carboxy group of (2,4,5-trichlorophenoxy)acetic acid. -1 C8H4Cl3O3 InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)/p-1 SMYMJHWAQXWPDB-UHFFFAOYSA-M 254.47366 252.92315 [O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl Gmelin:434053 MetaCyc:CPD-10896 UM-BBD_compID:c0361 (2,4,5-trichlorophenoxy)acetate chebi_ontology 2,4,5-trichlorophenoxyacetate CHEBI:19331 (2,4,5-trichlorophenoxy)acetate Gmelin:434053 Gmelin UM-BBD_compID:c0361 UM-BBD (2,4,5-trichlorophenoxy)acetate IUPAC 2,4,5-trichlorophenoxyacetate ChEBI A chlorophenoxyacetate anion that is the conjugate base of (2,4-dichlorophenoxy)acetic acid, obtained by deprotonation of the carboxy group. -1 C8H5Cl2O3 InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1 OVSKIKFHRZPJSS-UHFFFAOYSA-M 220.03000 218.96212 [O-]C(=O)COc1ccc(Cl)cc1Cl Beilstein:3614847 Gmelin:330841 MetaCyc:CPD-9009 UM-BBD_compID:c0288 (2,4-dichlorophenoxy)acetate chebi_ontology 2,4-D 2,4-dichlorophenoxyacetate CHEBI:19351 (2,4-dichlorophenoxy)acetate Beilstein:3614847 Beilstein Gmelin:330841 Gmelin UM-BBD_compID:c0288 UM-BBD (2,4-dichlorophenoxy)acetate IUPAC (2,4-dichlorophenoxy)acetate UniProt 2,4-D UM-BBD 2,4-dichlorophenoxyacetate ChEBI A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. 0 C6H4Br2O InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H SSIZLKDLDKIHEV-UHFFFAOYSA-N 251.90336 249.86289 Oc1c(Br)cccc1Br Beilstein:2043614 CAS:608-33-3 Gmelin:1006446 KEGG:C16247 UM-BBD_compID:c0533 2,6-dibromophenol chebi_ontology CHEBI:19391 2,6-dibromophenol Beilstein:2043614 Beilstein CAS:608-33-3 ChemIDplus CAS:608-33-3 KEGG COMPOUND CAS:608-33-3 NIST Chemistry WebBook Gmelin:1006446 Gmelin UM-BBD_compID:c0533 UM-BBD 2,6-dibromophenol IUPAC A medium-chain fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3. -1 C2H3O2R 59.044 59.01330 C*C([O-])=O PMID:17213671 chebi_ontology an omega-methyl-medium-chain fatty acid omega-methyl-medium-chain fatty acid(1-) CHEBI:194240 omega-methyl-medium-chain fatty acid anion PMID:17213671 SUBMITTER an omega-methyl-medium-chain fatty acid UniProt omega-methyl-medium-chain fatty acid(1-) SUBMITTER A omega-hydroxy-fatty acid with a chain length of less than C6. chebi_ontology omega-hydroxy short-chain fatty acid omega-hydroxy short-chain fatty acids omega-hydroxy-short-chain fatty acids short-chain omega-hydroxy-fatty acid short-chain omega-hydroxy-fatty acids CHEBI:194306 omega-hydroxy-short-chain fatty acid omega-hydroxy short-chain fatty acid ChEBI omega-hydroxy short-chain fatty acids ChEBI omega-hydroxy-short-chain fatty acids ChEBI short-chain omega-hydroxy-fatty acid ChEBI short-chain omega-hydroxy-fatty acids ChEBI An ortho-fused polycyclic arene, or derivative thereof, that consists of 9H-fluorene bearing an acetamido substituent at position 2. chebi_ontology CHEBI:19432 2-acetamidofluorenes Any unsaturated fatty acid carrying one or more hydroperoxy substituents. chebi_ontology hydroperoxy unsaturated fatty acids CHEBI:194321 hydroperoxy unsaturated fatty acid hydroperoxy unsaturated fatty acids ChEBI An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent. 0 C11H14ClNO InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 MFOUDYKPLGXPGO-UHFFFAOYSA-N 211.68800 211.07639 CC(C)N(C(=O)CCl)c1ccccc1 Beilstein:2103903 CAS:1918-16-7 KEGG:C18759 PMID:22953837 PMID:7272464 PPDB:543 Pesticides:propachlor Reaxys:2103903 UM-BBD_compID:c0653 Wikipedia:Propachlor 2-chloro-N-isopropyl-N-phenylacetamide chebi_ontology 2-Chloro-N-(1-methylethyl)-N-phenylacetamide 2-chloro-N-isopropylacetanilide Bexton 4L Chloressigsaeure-N-isopropylanilid Kartex A N-isopropyl-2-chloroacetanilide N-isopropyl-alpha-chloroacetanilide Nitacid Niticid Propachlore Ramrod 65 alpha-Chloro-N-isopropylacetanilide alpha-chloro-N-isopropylacetanilid CHEBI:19503 propachlor Beilstein:2103903 ChemIDplus CAS:1918-16-7 ChemIDplus CAS:1918-16-7 KEGG COMPOUND CAS:1918-16-7 NIST Chemistry WebBook PMID:22953837 Europe PMC PMID:7272464 Europe PMC Pesticides:propachlor Alan Wood's Pesticides Reaxys:2103903 Reaxys UM-BBD_compID:c0653 UM-BBD 2-chloro-N-isopropyl-N-phenylacetamide IUPAC 2-Chloro-N-(1-methylethyl)-N-phenylacetamide ChemIDplus 2-chloro-N-isopropylacetanilide ChEBI Bexton 4L ChemIDplus Chloressigsaeure-N-isopropylanilid ChemIDplus Kartex A ChemIDplus N-isopropyl-2-chloroacetanilide ChEBI N-isopropyl-alpha-chloroacetanilide UM-BBD Nitacid ChemIDplus Niticid ChemIDplus Propachlore ChemIDplus Ramrod 65 ChemIDplus alpha-Chloro-N-isopropylacetanilide ChemIDplus alpha-chloro-N-isopropylacetanilid NIST_Chemistry_WebBook chebi_ontology 3',5'-cyclic purine nucleotides CHEBI:19834 3',5'-cyclic purine nucleotide 3',5'-cyclic purine nucleotides ChEBI Any 3-oxo steroid that contains a double bond between positions 1 and 2. 0 C19H27OR 271.418 271.20619 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(C=CC(C4)=O)C CHEBI:13603 CHEBI:1625 KEGG:C02941 MetaCyc:3-Oxo-Delta-1-Steroids 3-oxo-Delta(1) steroid chebi_ontology 3-keto-Delta(1) steroid 3-keto-Delta(1) steroids 3-oxo Delta(1)-steroid 3-oxo Delta(1)-steroids 3-oxo-Delta(1) steroids 3-oxo-Delta(1)-steroids 3-oxo-Delta1-steroid 3-oxo-Delta1-steroids a 3-oxo-Delta(1)-steroid CHEBI:20156 3-oxo-Delta(1) steroid 3-oxo-Delta(1) steroid ChEBI 3-keto-Delta(1) steroid ChEBI 3-keto-Delta(1) steroids ChEBI 3-oxo Delta(1)-steroid ChEBI 3-oxo Delta(1)-steroids ChEBI 3-oxo-Delta(1) steroids ChEBI 3-oxo-Delta(1)-steroids ChEBI 3-oxo-Delta1-steroid ChEBI 3-oxo-Delta1-steroids ChEBI a 3-oxo-Delta(1)-steroid UniProt An aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid. -1 C6H6NO3S InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/p-1 HVBSAKJJOYLTQU-UHFFFAOYSA-M 172.18200 172.00739 Nc1ccc(cc1)S([O-])(=O)=O Beilstein:1876299 Gmelin:131013 Reaxys:1876299 UM-BBD_compID:c0551 4-aminobenzenesulfonate chebi_ontology CHEBI:20313 4-aminobenzenesulfonate Beilstein:1876299 Beilstein Gmelin:131013 Gmelin Reaxys:1876299 Reaxys UM-BBD_compID:c0551 UM-BBD 4-aminobenzenesulfonate IUPAC A chloroaniline in which the chloro atom is para to the aniline amino group. 0 C6H6ClN InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 QSNSCYSYFYORTR-UHFFFAOYSA-N 127.57200 127.01888 Nc1ccc(Cl)cc1 CHEBI:116809 CHEBI:34397 Beilstein:471359 CAS:106-47-8 KEGG:C14450 PMID:10848923 PMID:24038698 Reaxys:471359 UM-BBD_compID:c0766 Wikipedia:4-Chloroaniline 4-Chloroaniline 4-chloroaniline chebi_ontology 1-Amino-4-chlorobenzene 4-Amino-1-chlorobenzene 4-Chloro-phenylamine 4-Chlorobenzenamine p-Chloroaniline para-Chloroaniline CHEBI:20331 4-chloroaniline Beilstein:471359 Beilstein CAS:106-47-8 ChemIDplus CAS:106-47-8 KEGG COMPOUND CAS:106-47-8 NIST Chemistry WebBook PMID:10848923 Europe PMC PMID:24038698 Europe PMC Reaxys:471359 Reaxys UM-BBD_compID:c0766 UM-BBD 4-Chloroaniline KEGG_COMPOUND 4-chloroaniline IUPAC 1-Amino-4-chlorobenzene KEGG_COMPOUND 4-Amino-1-chlorobenzene ChemIDplus 4-Chloro-phenylamine ChEMBL 4-Chlorobenzenamine ChemIDplus p-Chloroaniline ChemIDplus para-Chloroaniline ChemIDplus chebi_ontology imidazolones CHEBI:20432 imidazolone imidazolones ChEBI An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19). chebi_ontology 3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor 3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors 3-phosphoshikimate 1-carboxyvinyltransferase inhibitor 3-phosphoshikimate 1-carboxyvinyltransferase inhibitors 5-enolpyruvylshikimate-3-phosphate synthase inhibitor 5-enolpyruvylshikimate-3-phosphate synthase inhibitors EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors EC 2.5.1.19 inhibitor EC 2.5.1.19 inhibitors EPSP synthase inhibitor EPSP synthase inhibitors phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors CHEBI:20569 EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor 3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor ChEBI 3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors ChEBI 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor ChEBI 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors ChEBI 3-phosphoshikimate 1-carboxyvinyltransferase inhibitor ChEBI 3-phosphoshikimate 1-carboxyvinyltransferase inhibitors ChEBI 5-enolpyruvylshikimate-3-phosphate synthase inhibitor ChEBI 5-enolpyruvylshikimate-3-phosphate synthase inhibitors ChEBI EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors ChEBI EC 2.5.1.19 inhibitor ChEBI EC 2.5.1.19 inhibitors ChEBI EPSP synthase inhibitor ChEBI EPSP synthase inhibitors ChEBI phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor ChEBI phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors ChEBI A group of heterocyclic compounds based on the 5-methyl-5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units. chebi_ontology 5-methyltetrahydrofolates CHEBI:20612 5-methyltetrahydrofolate 5-methyltetrahydrofolates ChEBI 0 C24H42 InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1 QSHQKIURKJITMZ-OBUPQJQESA-N 330.59028 330.32865 [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC Beilstein:2048472 5beta-cholane chebi_ontology CHEBI:20664 5beta-cholane Beilstein:2048472 Beilstein 5beta-cholane IUPAC Any aminopurine having the amino substituent at the 2-position. 2-aminopurines chebi_ontology CHEBI:20702 2-aminopurines 2-aminopurines ChEBI Any compound having 6-aminopurine (adenine) as part of its structure. PMID:1646334 PMID:18524423 PMID:7342604 6-aminopurines chebi_ontology CHEBI:20706 6-aminopurines PMID:1646334 Europe PMC PMID:18524423 Europe PMC PMID:7342604 Europe PMC 6-aminopurines ChEBI A furan bearing a hydroxymethyl substituent at the 2-position. 0 C5H6O2 InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 XPFVYQJUAUNWIW-UHFFFAOYSA-N 98.09990 98.03678 OCc1ccco1 Beilstein:106291 CAS:98-00-0 HMDB:HMDB0013742 KEGG:C20441 MetaCyc:CPD-14102 PMID:15081000 PMID:22648683 PMID:22785445 PMID:23466497 PMID:24215289 PMID:2917974 Reaxys:106291 Wikipedia:Furfuryl_alcohol furan-2-ylmethanol chebi_ontology (2-furyl)methanol 2-Furancarbinol 2-Furane-methanol 2-Furanmethanol 2-Furanylmethanol 2-Furfuryl alcohol 2-Furylcarbinol 2-Furylmethanol 2-Hydroxymethylfuran 2-hydroxymethylfurane 5-Hydroxymethylfuran Furan-2-yl-methanol Furfural alcohol Furfuranol Furylcarbinol alpha-furylcarbinol CHEBI:207496 furfuryl alcohol Beilstein:106291 Beilstein CAS:98-00-0 ChemIDplus CAS:98-00-0 NIST Chemistry WebBook PMID:15081000 ChEMBL PMID:22648683 Europe PMC PMID:22785445 Europe PMC PMID:23466497 Europe PMC PMID:24215289 Europe PMC PMID:2917974 Europe PMC Reaxys:106291 Reaxys furan-2-ylmethanol IUPAC (2-furyl)methanol ChemIDplus 2-Furancarbinol ChemIDplus 2-Furane-methanol NIST_Chemistry_WebBook 2-Furanmethanol NIST_Chemistry_WebBook 2-Furanylmethanol ChemIDplus 2-Furfuryl alcohol ChemIDplus 2-Furylcarbinol ChemIDplus 2-Furylmethanol ChemIDplus 2-Hydroxymethylfuran ChemIDplus 2-hydroxymethylfurane NIST_Chemistry_WebBook 5-Hydroxymethylfuran ChemIDplus Furan-2-yl-methanol ChEMBL Furfural alcohol ChemIDplus Furfuranol ChemIDplus Furylcarbinol ChemIDplus alpha-furylcarbinol ChemIDplus A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a carbon atom, thus creating a C-C bond. chebi_ontology C-glycoside C-glycosides C-glycosyl compounds CHEBI:20857 C-glycosyl compound C-glycoside ChEBI C-glycosides ChEBI C-glycosyl compounds ChEBI true Any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine. 0 C8H15NO6 InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1 OVRNDRQMDRJTHS-BKJPEWSUSA-N 221.208 221.08994 C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O N-acetyl-D-hexosamine chebi_ontology N-acetyl-D-hexosamines N-acetylhexosamine N-acetylhexosamines CHEBI:21601 N-acetyl-D-hexosamine N-acetyl-D-hexosamine UniProt N-acetyl-D-hexosamines ChEBI N-acetylhexosamine ChEBI N-acetylhexosamines ChEBI N-acylglucosamine chebi_ontology N-acylglucosamines CHEBI:21638 N-acylglucosamine N-acylglucosamine ChEBI N-acylglucosamines ChEBI Any N-acylamino acid having L-configuration. chebi_ontology CHEBI:21644 N-acyl-L-amino acid N-acyl-hexosamine chebi_ontology N-acyl-hexosamines CHEBI:21656 N-acyl-hexosamine N-acyl-hexosamine ChEBI N-acyl-hexosamines ChEBI A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond. glycosylamine chebi_ontology N-glycoside N-glycosides N-glycosyl compounds glycosylamines CHEBI:21731 N-glycosyl compound glycosylamine IUPAC N-glycoside ChEBI N-glycosides ChEBI N-glycosyl compounds ChEBI glycosylamines IUPAC An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position 0 C2H5N5O3 InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4) VZUNGTLZRAYYDE-UHFFFAOYSA-N 147.09280 147.03924 CN(N=O)C(=N)N[N+]([O-])=O CHEBI:34872 Beilstein:1779490 CAS:70-25-7 KEGG:C14592 1-methyl-3-nitro-1-nitrosoguanidine N-Methyl-N'-nitro-N-nitrosoguanidine chebi_ontology 1-Methyl-1-nitroso-3-nitroguanidine 1-Methyl-3-nitro-1-nitrosoguanidine 1-Nitroso-3-nitro-1-methylguanidine MNG MNNG Methylnitronitrosoguanidine N'-Nitro-N-nitroso-N-methylguanidine N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide N-Methyl-N-nitroso-N'-nitroguanidine N-Methyl-N-nitrosonitroguanidin N-Nitroso-N-methyl-N'-nitroguanidine CHEBI:21759 N-methyl-N'-nitro-N-nitrosoguanidine Beilstein:1779490 Beilstein CAS:70-25-7 ChemIDplus CAS:70-25-7 KEGG COMPOUND CAS:70-25-7 NIST Chemistry WebBook 1-methyl-3-nitro-1-nitrosoguanidine IUPAC N-Methyl-N'-nitro-N-nitrosoguanidine KEGG_COMPOUND 1-Methyl-1-nitroso-3-nitroguanidine ChemIDplus 1-Methyl-3-nitro-1-nitrosoguanidine KEGG_COMPOUND 1-Nitroso-3-nitro-1-methylguanidine ChemIDplus MNG ChemIDplus MNNG ChemIDplus MNNG KEGG_COMPOUND Methylnitronitrosoguanidine KEGG_COMPOUND N'-Nitro-N-nitroso-N-methylguanidine ChemIDplus N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide NIST_Chemistry_WebBook N-Methyl-N-nitroso-N'-nitroguanidine ChEBI N-Methyl-N-nitroso-N'-nitroguanidine ChemIDplus N-Methyl-N-nitrosonitroguanidin ChEBI N-Nitroso-N-methyl-N'-nitroguanidine ChemIDplus An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). CHEBI:35813 sulfoxide chebi_ontology S-oxides sulfoxides CHEBI:22063 sulfoxide sulfoxide ChEBI S-oxides ChEBI sulfoxides ChEBI A member of the class of abscisic acids in which the double bond betweeen positions 2 and 3 has cis- (natural) geometry. 0 C15H20O4 InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7- JLIDBLDQVAYHNE-LXGGSRJLSA-N 264.31690 264.13616 CC(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O Beilstein:2698956 (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid chebi_ontology Abscisinsaeure Abszisinsaeure abscisic acid acide abscissique acido abscisico CHEBI:22152 2-cis-abscisic acid Beilstein:2698956 Beilstein (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid IUPAC Abscisinsaeure ChEBI Abszisinsaeure ChEBI abscisic acid ChEBI acide abscissique ChEBI acido abscisico ChEBI A substance used to destroy pests of the subclass Acari (mites and ticks). Wikipedia:Acaricide chebi_ontology Akarizid Akarizide acaricides miticide CHEBI:22153 acaricide Akarizid ChEBI Akarizide ChEBI acaricides ChEBI miticide ChEBI Compounds with the general formula RNHC(=O)CH3. chebi_ontology CHEBI:22160 acetamides An EC 2.2.1.* (transketolase/transaldolase) inhibitor that interferes with the action of acetolactate synthase (EC 2.2.1.6). Wikipedia:Acetolactate_synthase chebi_ontology EC 2.2.1.6 (acetolactate synthase) inhibitors EC 2.2.1.6 inhibitor EC 2.2.1.6 inhibitors acetohydroxy acid synthetase inhibitor acetohydroxy acid synthetase inhibitors acetohydroxyacid synthase inhibitor acetohydroxyacid synthase inhibitors acetolactate pyruvate-lyase (carboxylating) inhibitor acetolactate pyruvate-lyase (carboxylating) inhibitors acetolactate synthase (EC 2.2.1.6) inhibitor acetolactate synthase (EC 2.2.1.6) inhibitors acetolactate synthase inhibitor acetolactate synthase inhibitors acetolactic synthetase inhibitor acetolactic synthetase inhibitors alpha-acetohydroxy acid synthetase inhibitor alpha-acetohydroxy acid synthetase inhibitors alpha-acetohydroxyacid synthase inhibitor alpha-acetohydroxyacid synthase inhibitors alpha-acetolactate synthase inhibitor alpha-acetolactate synthase inhibitors alpha-acetolactate synthetase inhibitor alpha-acetolactate synthetase inhibitors pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitor pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitors CHEBI:22180 EC 2.2.1.6 (acetolactate synthase) inhibitor EC 2.2.1.6 (acetolactate synthase) inhibitors ChEBI EC 2.2.1.6 inhibitor ChEBI EC 2.2.1.6 inhibitors ChEBI acetohydroxy acid synthetase inhibitor ChEBI acetohydroxy acid synthetase inhibitors ChEBI acetohydroxyacid synthase inhibitor ChEBI acetohydroxyacid synthase inhibitors ChEBI acetolactate pyruvate-lyase (carboxylating) inhibitor ChEBI acetolactate pyruvate-lyase (carboxylating) inhibitors ChEBI acetolactate synthase (EC 2.2.1.6) inhibitor ChEBI acetolactate synthase (EC 2.2.1.6) inhibitors ChEBI acetolactate synthase inhibitor ChEBI acetolactate synthase inhibitors ChEBI acetolactic synthetase inhibitor ChEBI acetolactic synthetase inhibitors ChEBI alpha-acetohydroxy acid synthetase inhibitor ChEBI alpha-acetohydroxy acid synthetase inhibitors ChEBI alpha-acetohydroxyacid synthase inhibitor ChEBI alpha-acetohydroxyacid synthase inhibitors ChEBI alpha-acetolactate synthase inhibitor ChEBI alpha-acetolactate synthase inhibitors ChEBI alpha-acetolactate synthetase inhibitor ChEBI alpha-acetolactate synthetase inhibitors ChEBI pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitor ChEBI pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitors ChEBI An enamide which is acrylamide or a derivative of acrylamide obtained by replacement of one or more of its hydrogens. PMID:20111795 PMID:22214428 chebi_ontology CHEBI:22216 acrylamides PMID:20111795 Europe PMC PMID:22214428 Europe PMC An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids. acyl group alkanoyl chebi_ontology acyl groups alkanoyl group groupe acyle CHEBI:22221 acyl group acyl group IUPAC alkanoyl IUPAC acyl groups ChEBI alkanoyl group ChEBI groupe acyle IUPAC chebi_ontology adenosine phosphates CHEBI:22256 adenosine phosphate adenosine phosphates ChEBI Any purine ribonucleoside that is a derivative of adenosine. chebi_ontology CHEBI:22260 adenosines Any of a group of related and highly toxic secondary metabolites (mycotoxins) whose main structural feature is a fused coumarin-bis(dihydrofuran) ring system and which are produced by strains of the moulds Aspergillus flavus or A. parasiticus, together with further metabolites of these mycotoxins PMID:11104412 PMID:18757582 PMID:20507532 PMID:25042713 PMID:25112578 PMID:25274127 PMID:25339440 PMID:25466118 Wikipedia:Aflatoxin chebi_ontology aflatoxins CHEBI:22271 aflatoxin PMID:11104412 Europe PMC PMID:18757582 Europe PMC PMID:20507532 Europe PMC PMID:25042713 Europe PMC PMID:25112578 Europe PMC PMID:25274127 Europe PMC PMID:25339440 Europe PMC PMID:25466118 Europe PMC aflatoxins ChEBI An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of alanine by a heteroatom. The definition normally excludes peptides containing alanine residues. chebi_ontology CHEBI:22278 alanine derivative alditol phosphate chebi_ontology alditol phosphates CHEBI:22297 alditol phosphate alditol phosphate ChEBI alditol phosphates ChEBI Oximes of aldehydes RCH=NOH. 0 CH2NOR 44.03270 44.01364 [H]C([*])=NO KEGG:C02658 aldoxime aldoximes chebi_ontology aldoximes CHEBI:22307 aldoxime aldoxime ChEBI aldoximes IUPAC aldoximes ChEBI alkaline earth metals chebi_ontology Erdalkalimetall Erdalkalimetalle alkaline earth metal alkaline-earth metal alkaline-earth metals metal alcalino-terreux metal alcalinoterreo metales alcalinoterreos metaux alcalino-terreux CHEBI:22313 alkaline earth metal atom alkaline earth metals IUPAC Erdalkalimetall ChEBI Erdalkalimetalle ChEBI alkaline earth metal ChEBI alkaline-earth metal ChEBI alkaline-earth metals ChEBI metal alcalino-terreux ChEBI metal alcalinoterreo ChEBI metales alcalinoterreos ChEBI metaux alcalino-terreux ChEBI alkali metals chebi_ontology Alkalimetall Alkalimetalle alkali metal metal alcalin metal alcalino metales alcalinos metaux alcalins CHEBI:22314 alkali metal atom alkali metals IUPAC Alkalimetall ChEBI Alkalimetalle ChEBI alkali metal ChEBI metal alcalin ChEBI metal alcalino ChEBI metales alcalinos ChEBI metaux alcalins ChEBI Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids. Wikipedia:Alkaloid Alkaloid alkaloids chebi_ontology Alkaloide alcaloide alcaloides CHEBI:22315 alkaloid alkaloid Alkaloid ChEBI alkaloids IUPAC Alkaloide ChEBI alcaloide ChEBI alcaloides ChEBI A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom. alkyl group alkyl groups chebi_ontology groupe alkyle grupo alquilo grupos alquilo CHEBI:22323 alkyl group alkyl group IUPAC alkyl groups IUPAC groupe alkyle IUPAC grupo alquilo IUPAC grupos alquilo IUPAC chebi_ontology alkyl phosphates CHEBI:22324 alkyl phosphate alkyl phosphates ChEBI chebi_ontology aliphatic thioether aliphatic thioethers CHEBI:22327 aliphatic sulfide aliphatic thioether ChEBI aliphatic thioethers ChEBI Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups. chebi_ontology CHEBI:22331 alkylamines Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. chebi_ontology CHEBI:22333 alkylating agent Acyclic branched or unbranched hydrocarbons having a carbon-carbon triple bond and the general formula CnH2n-2, RC#CR. alkyne alkynes chebi_ontology alkynes CHEBI:22339 alkyne alkyne IUPAC alkynes IUPAC alkynes ChEBI A hydroxynitrile in which the hydroxy group is located on the carbon alpha to the carbonitrile group. chebi_ontology alpha-hydroxynitriles CHEBI:22455 alpha-hydroxynitrile alpha-hydroxynitriles ChEBI A tocopherol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a 4,8,12-trimethyltridecyl group at position 2. alpha-tocopherol http://langual.org 0 C29H50O2 430.707 430.38108 Beilstein:8176170 CAS:10191-41-0 Codex::307 Europe::307 KEGG:D02332 PMID:23949732 PMID:24683365 Wikipedia:Alpha-Tocopherol http://www.langual.org/langual_thesaurus.asp?termid=B2986 alpha-tocopherol rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol chebi_ontology (+-)-alpha-tocopherol 2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol E 307 E-307 E307 all-rac-alpha-tocopherol dl-alpha-tocopherol dl-alpha-tocopherol tocopherols CHEBI:22470 LanguaL term definition: Food additive. alpha-tocopherol α-tocopherol Beilstein:8176170 Beilstein CAS:10191-41-0 ChemIDplus PMID:23949732 Europe PMC PMID:24683365 Europe PMC rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol IUPAC (+-)-alpha-tocopherol ChEBI (+-)-alpha-tocopherol ChemIDplus 2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol ChemIDplus E 307 ChEBI E-307 ChEBI E307 ChEBI all-rac-alpha-tocopherol ChEBI dl-alpha-tocopherol ChemIDplus A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively. 0 C9H17N5S InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N 227.33098 227.12047 CCNc1nc(NC(C)C)nc(SC)n1 Beilstein:613099 CAS:834-12-8 KEGG:C18700 MetaCyc:CPD-9343 PDBeChem:RYN PMID:21626650 PMID:23566464 PMID:24413480 PMID:24579518 PMID:24757962 PPDB:27 Pesticides:ametryn Reaxys:613099 UM-BBD_compID:c0260 N(2)-ethyl-N(4)-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine ametryn chebi_ontology 2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine 2-ethylamino-4-isopropylamino-6-methylmercapto-s-triazine 2-methylthio-4-ethylamino-6-isopropylamino-s-triazine Ametrex Evik Gesapax N(2)-ethyl-6-(methylsulfanyl)-N(4)-(propan-2-yl)-1,3,5-triazine-2,4-diamine N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine N-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine N-ethyl-N'-(1-methylethyl)-6-(methylthio)-2,4-diaminetriazine N-ethyl-N'-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine ametryne CHEBI:22472 ametryn Beilstein:613099 Beilstein CAS:834-12-8 ChemIDplus CAS:834-12-8 KEGG COMPOUND CAS:834-12-8 NIST Chemistry WebBook PMID:21626650 Europe PMC PMID:23566464 Europe PMC PMID:24413480 Europe PMC PMID:24579518 Europe PMC PMID:24757962 Europe PMC Pesticides:ametryn Alan Wood's Pesticides Reaxys:613099 Reaxys UM-BBD_compID:c0260 UM-BBD N(2)-ethyl-N(4)-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine IUPAC ametryn UM-BBD 2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine NIST_Chemistry_WebBook 2-ethylamino-4-isopropylamino-6-methylmercapto-s-triazine ChemIDplus 2-methylthio-4-ethylamino-6-isopropylamino-s-triazine ChemIDplus Ametrex ChemIDplus Evik ChemIDplus Gesapax ChemIDplus N(2)-ethyl-6-(methylsulfanyl)-N(4)-(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC N-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine NIST_Chemistry_WebBook N-ethyl-N'-(1-methylethyl)-6-(methylthio)-2,4-diaminetriazine UM-BBD N-ethyl-N'-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine ChEBI ametryne ChemIDplus An amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group. chebi_ontology CHEBI:22475 amino acid amide An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. chebi_ontology amino alcohols aminoalcohol aminoalcohols CHEBI:22478 amino alcohol amino alcohols ChEBI aminoalcohol ChEBI aminoalcohols ChEBI amino cyclitol glycoside chebi_ontology amino cyclitol glycosides CHEBI:22479 amino cyclitol glycoside amino cyclitol glycoside ChEBI amino cyclitol glycosides ChEBI Any aldehyde which contains an amino group. PMID:17105264 chebi_ontology CHEBI:22492 amino aldehyde PMID:17105264 Europe PMC 0 C6H6NO3S 172.183 172.00684 aminobenzenesulfonate chebi_ontology aminobenzenesulfonates CHEBI:22493 aminobenzenesulfonate aminobenzenesulfonate IUPAC aminobenzenesulfonates ChEBI chebi_ontology aminobenzoates CHEBI:22494 aminobenzoate aminobenzoates ChEBI 0 C7H7NO2 137.136 137.04768 aminobenzoic acid chebi_ontology Aminobenzoesaeure CHEBI:22495 aminobenzoic acid aminobenzoic acid IUPAC Aminobenzoesaeure ChEBI Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group. chebi_ontology CHEBI:22496 aminobiphenyl chebi_ontology aminoglycans CHEBI:22506 aminoglycan aminoglycans ChEBI chebi_ontology aminoglycoside antibiotics CHEBI:22507 aminoglycoside antibiotic aminoglycoside antibiotics ChEBI Any member of the class of imidazoles carrying at least one amino substituent. chebi_ontology aminoimidazoles CHEBI:22512 aminoimidazole aminoimidazoles ChEBI Any purine having at least one amino substituent. chebi_ontology aminopurines CHEBI:22527 aminopurine aminopurines ChEBI Any member of the class of toluenes carrying one or more amino groups. chebi_ontology CHEBI:22531 aminotoluene Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives. chebi_ontology CHEBI:22562 anilines A monoatomic or polyatomic species having one or more elementary charges of the electron. Anion anion chebi_ontology Anionen aniones anions CHEBI:22563 anion Anion ChEBI anion ChEBI anion IUPAC Anionen ChEBI aniones ChEBI anions IUPAC chebi_ontology anthracenequinones anthraquinones CHEBI:22580 anthraquinone anthracenequinones ChEBI anthraquinones ChEBI A substance that prevents pests from feeding. chebi_ontology antifeedants CHEBI:22583 antifeedant antifeedants ChEBI A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. chebi_ontology antioxidants antioxydant antoxidant CHEBI:22586 antioxidant antioxidants ChEBI antioxydant ChEBI antoxidant ChEBI A substance that destroys or inhibits replication of viruses. chebi_ontology anti-viral agent anti-viral agents antiviral antiviral agents antivirals CHEBI:22587 antiviral agent anti-viral agent ChEBI anti-viral agents ChEBI antiviral ChEBI antiviral agents ChEBI antivirals ChEBI arabinoside chebi_ontology arabinosides CHEBI:22601 arabinoside arabinoside ChEBI arabinosides ChEBI arsenic molecular entity chebi_ontology arsenic compounds arsenic molecular entities CHEBI:22632 arsenic molecular entity arsenic molecular entity ChEBI arsenic compounds ChEBI arsenic molecular entities ChEBI An arsenic oxoanion resulting from the removal of one or more protons from arsenous acid. chebi_ontology arsenite anions arsenite ions CHEBI:22633 arsenite ion arsenite anions ChEBI arsenite ions ChEBI Arsane (AsH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RAsH2, R2AsH, R3As (R =/= H) are called primary, secondary and tertiary arsines, respectively. A specific arsine is preferably named as a substituted arsane. arsine arsines chebi_ontology arsines CHEBI:22637 arsine arsine IUPAC arsines IUPAC arsines ChEBI Any organoarsenic compound that is the As-organyl derivative of arsonic acid. chebi_ontology organoarsonic acids CHEBI:22638 organoarsonic acid organoarsonic acids ChEBI chebi_ontology CHEBI:22644 arylalkylamine A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system. chebi_ontology arenecarboxamides CHEBI:22645 arenecarboxamide arenecarboxamides ChEBI A ketoaldonate that is the conjugate base of ascorbic acid. chebi_ontology CHEBI:22651 ascorbate ascorbic acid http://langual.org Codex::300 Europe::300 http://www.langual.org/langual_thesaurus.asp?termid=B3005 vitamin c chebi_ontology ascorbic acid, l- l-ascorbic acid CHEBI:22652 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant, flour treatment agent. ascorbic acid ascorbic acid An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class. PMID:4386082 PMID:4394351 PMID:4721772 PMID:5016260 PMID:5074276 chebi_ontology aspartate family amino acids aspartic acid family amino acid aspartic acid family amino acids oxaloacetate family amino acid oxaloacetate family amino acids oxaloacetate/aspartate family amino acid oxaloacetate/aspartate family amino acids CHEBI:22658 aspartate family amino acid PMID:4386082 Europe PMC PMID:4394351 Europe PMC PMID:4721772 Europe PMC PMID:5016260 Europe PMC PMID:5074276 Europe PMC aspartate family amino acids ChEBI aspartic acid family amino acid ChEBI aspartic acid family amino acids ChEBI oxaloacetate family amino acid ChEBI oxaloacetate family amino acids ChEBI oxaloacetate/aspartate family amino acid ChEBI oxaloacetate/aspartate family amino acids ChEBI Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow"). Wikipedia:Auxin chebi_ontology auxins CHEBI:22676 auxin auxins ChEBI chebi_ontology CHEBI:22681 aziridines Any member of the wide class of molecules that share the core azobenzene structure, comprising two phenyl rings linked by a N=N double bond, which may have different functional groups extending from the rings. azobenzenes chebi_ontology CHEBI:22682 azobenzenes azobenzenes ChEBI Members of the class of pyrimidones consisting of pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) and its derivatives. Largest group of the synthetic sedative/hypnotics, sharing a characteristic six-membered ring structure. barbiturates chebi_ontology barbituric acids CHEBI:22693 barbiturates barbiturates IUPAC barbituric acids ChEBI A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). KEGG:C00701 Base base chebi_ontology Base1 Base2 Basen Nucleobase bases CHEBI:22695 base Base ChEBI base ChEBI base IUPAC Base1 KEGG_COMPOUND Base2 KEGG_COMPOUND Basen ChEBI Nucleobase KEGG_COMPOUND bases ChEBI chebi_ontology CHEBI:22702 benzamides A triol in which three hydroxy groups are substituted onto a benzene ring. chebi_ontology benzenetriols trihydroxybenzenes CHEBI:22707 benzenetriol benzenetriols ChEBI trihydroxybenzenes ChEBI Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. chebi_ontology CHEBI:22712 benzenes chebi_ontology arenesulfonates CHEBI:22713 arenesulfonate oxoanion arenesulfonates ChEBI An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. chebi_ontology CHEBI:22715 benzimidazoles A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid. chebi_ontology benzoate anion CHEBI:22718 benzoates benzoate anion ChEBI A group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring. chebi_ontology benzodiazepines CHEBI:22720 benzodiazepine benzodiazepines ChEBI Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. chebi_ontology CHEBI:22723 benzoic acids Any aromatic ketone in which the carbonyl group is bonded to 2 phenyl groups. chebi_ontology CHEBI:22726 benzophenones Wikipedia:Benzopyran chebi_ontology benzopyrans CHEBI:22727 benzopyran benzopyrans ChEBI chebi_ontology benzopyrroles CHEBI:22728 benzopyrrole benzopyrroles ChEBI Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives. chebi_ontology CHEBI:22729 benzoquinones 0 C7H7 91.13048 91.05478 C1=C(C=CC=C1)C* benzyl chebi_ontology Bn C6H5-CH2- phenylalanine side-chain phenylmethyl CHEBI:22744 benzyl group benzyl IUPAC Bn ChEBI C6H5-CH2- IUPAC phenylalanine side-chain ChEBI phenylmethyl IUPAC Any D-glucoside in which the anomeric centre has beta-configuration. 0 C6H11O6R 179.148 179.05556 [C@@H]1(O[C@H]([C@H](O)[C@H]([C@@H]1O)O)O*)CO CHEBI:10400 KEGG:C00963 beta-D-glucoside chebi_ontology a beta-D-glucoside beta-D-glucosides CHEBI:22798 beta-D-glucoside beta-D-glucoside ChEBI a beta-D-glucoside UniProt beta-D-glucosides ChEBI chebi_ontology CHEBI:22823 beta-alanine derivative Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond. chebi_ontology CHEBI:22888 biphenyls By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom. Wikipedia:Bisphenol chebi_ontology bisphenols CHEBI:22901 bisphenol bisphenols ChEBI A glycopeptide produced by the bacterium Streptomyces verticillus. The term, 'bleomycin' refers to a family of structurally related compounds. When used as an anti-cancer agent, the chemotherapeutical forms are primarily bleomycin A2 and B2. CHEBI:584977 DrugBank:DB00290 Wikipedia:Bleomycin chebi_ontology CHEBI:22907 bleomycin chebi_ontology bornane monoterpenoids CHEBI:22912 bornane monoterpenoid bornane monoterpenoids ChEBI boron molecular entity chebi_ontology boron compounds boron molecular entities CHEBI:22916 boron molecular entity boron molecular entity ChEBI boron compounds ChEBI boron molecular entities ChEBI An insecticide compound naturally occurring in plants. chebi_ontology botanical insecticide botanical insecticides phytogenic insecticides CHEBI:22917 phytogenic insecticide botanical insecticide ChEBI botanical insecticides ChEBI phytogenic insecticides ChEBI Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents chebi_ontology branched chain amino acids CHEBI:22918 branched-chain amino acid branched chain amino acids ChEBI Wikipedia:Brassinosteroid chebi_ontology brassinosteroids CHEBI:22921 brassinosteroid brassinosteroids ChEBI Any salt that has chlorate, [BrO3](-), as the anionic component. chebi_ontology Bromatsalz Bromatsalze bromate salts bromates CHEBI:22923 bromate salt Bromatsalz ChEBI Bromatsalze ChEBI bromate salts ChEBI bromates ChEBI A compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom. chebi_ontology brominated hydrocarbons bromohydrocarbons CHEBI:22926 bromohydrocarbon brominated hydrocarbons ChEBI bromohydrocarbons ChEBI 0 Br InChI=1S/Br WKBOTKDWSSQWDR-UHFFFAOYSA-N 79.90400 78.91834 [Br] WebElements:Br bromine chebi_ontology 35Br Br Brom brome bromine bromo bromum CHEBI:22927 bromine atom bromine IUPAC 35Br IUPAC Br ChEBI Brom ChEBI brome ChEBI bromine ChEBI bromo ChEBI bromum ChEBI bromine molecular entity chebi_ontology bromine compounds bromine molecular entities CHEBI:22928 bromine molecular entity bromine molecular entity ChEBI bromine compounds ChEBI bromine molecular entities ChEBI Any haloalkane that consists of an alkane substituted by at least one bromine atom. chebi_ontology alkyl bromide alkyl bromides bromoalkanes CHEBI:22929 bromoalkane alkyl bromide ChEBI alkyl bromides ChEBI bromoalkanes ChEBI A bisphenol substituted by at least one bromo group and its derivatives. chebi_ontology bromobisphenols CHEBI:22931 bromobisphenol bromobisphenols ChEBI An aldehyde based on a butanal skeleton and its substituted derivatives. chebi_ontology CHEBI:22939 butanals A diol that is a butanediol or a derivative of a butanediol. chebi_ontology CHEBI:22944 butanediols Any ketone that is butane substituted by an oxo group at unspecified position. chebi_ontology butanones CHEBI:22951 butanone butanones ChEBI 0 C4H4O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N 116.07216 116.01096 [H]C(=C([H])C(O)=O)C(O)=O Beilstein:8132074 but-2-enedioic acid chebi_ontology 2-butenedioic acid CHEBI:22958 butenedioic acid Beilstein:8132074 Beilstein but-2-enedioic acid IUPAC 2-butenedioic acid ChEBI Any C4, straight-chain fatty acid containing one double bond. 0 C4H6O2 86.089 86.03678 DrugBank:DB02074 butenoic acid chebi_ontology CHEBI:22959 butenoic acid butenoic acid IUPAC 0 Cd InChI=1S/Cd BDOSMKKIYDKNTQ-UHFFFAOYSA-N 112.41100 113.90336 [Cd] CAS:7440-43-9 KEGG:C01413 WebElements:Cd cadmium chebi_ontology 48Cd Cd Kadmium cadmio cadmium CHEBI:22977 cadmium atom CAS:7440-43-9 ChemIDplus CAS:7440-43-9 KEGG COMPOUND CAS:7440-43-9 NIST Chemistry WebBook cadmium IUPAC 48Cd IUPAC Cd IUPAC Kadmium NIST_Chemistry_WebBook cadmio ChEBI cadmium ChEBI chebi_ontology cadmium compounds cadmium molecular entities CHEBI:22978 cadmium molecular entity cadmium compounds ChEBI cadmium molecular entities ChEBI 0 Ca InChI=1S/Ca OYPRJOBELJOOCE-UHFFFAOYSA-N 40.07800 39.96259 [Ca] CAS:7440-70-2 DrugBank:DB01373 KEGG:C00076 WebElements:Ca calcium chebi_ontology 20Ca Ca Calcium Kalzium calcio calcium CHEBI:22984 calcium atom CAS:7440-70-2 ChemIDplus calcium IUPAC 20Ca IUPAC Ca IUPAC Ca UniProt Calcium KEGG_COMPOUND Kalzium ChEBI calcio ChEBI calcium ChEBI calcium molecular entity chebi_ontology calcium compounds calcium molecular entities CHEBI:22985 calcium molecular entity calcium molecular entity ChEBI calcium compounds ChEBI calcium molecular entities ChEBI chebi_ontology calcium ionophores CHEBI:22986 calcium ionophore calcium ionophores ChEBI A lactam in which the amide bond is contained within a seven-membered ring, which includes the amide nitrogen and the carbonyl carbon. chebi_ontology CHEBI:23000 caprolactams Any ester of carbamic acid or its N-substituted derivatives. Wikipedia:Carbamate chebi_ontology carbamate esters carbamates CHEBI:23003 carbamate ester carbamate esters ChEBI carbamates ChEBI The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid. 0 CH2NO 44.03272 44.01364 *C(N)=O PMID:24168430 carbamoyl chebi_ontology -C(O)NH2 -CONH2 aminocarbonyl carbamyl carbamyl group carboxamide CHEBI:23004 carbamoyl group PMID:24168430 Europe PMC carbamoyl IUPAC -C(O)NH2 ChEBI -CONH2 IUPAC aminocarbonyl IUPAC carbamyl ChEBI carbamyl group ChEBI carboxamide IUPAC Any carbohydrate derivative that exhibits antibiotic activity. chebi_ontology CHEBI:23007 carbohydrate-containing antibiotic 0 CS2 InChI=1S/CS2/c2-1-3 QGJOPFRUJISHPQ-UHFFFAOYSA-N 76.14270 75.94414 S=C=S CAS:75-15-0 KEGG:C19033 PPDB:2724 UM-BBD_compID:c0561 Carbon disulfide carbon disulfide disulfidocarbon chebi_ontology CS2 carbon disulphide CHEBI:23012 carbon disulfide CAS:75-15-0 ChemIDplus CAS:75-15-0 KEGG COMPOUND CAS:75-15-0 NIST Chemistry WebBook UM-BBD_compID:c0561 UM-BBD Carbon disulfide NIST_Chemistry_WebBook carbon disulfide ChEBI carbon disulfide IUPAC carbon disulfide UniProt disulfidocarbon IUPAC CS2 IUPAC carbon disulphide ChEBI chebi_ontology carbon oxides oxides of carbon CHEBI:23014 carbon oxide carbon oxides ChEBI oxides of carbon ChEBI Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. chebi_ontology CHEBI:23016 carbonates An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule. Wikipedia:Carbonic_anhydrase_inhibitor chebi_ontology EC 4.2.1.1 (carbonic anhydrase) inhibitors EC 4.2.1.1 inhibitor EC 4.2.1.1 inhibitors anhydrase inhibitor anhydrase inhibitors carbonate anhydrase inhibitor carbonate anhydrase inhibitors carbonate dehydratase inhibitor carbonate dehydratase inhibitors carbonate hydro-lyase (carbon-dioxide-forming) inhibitor carbonate hydro-lyase (carbon-dioxide-forming) inhibitors carbonate hydro-lyase inhibitor carbonate hydro-lyase inhibitors carbonic acid anhydrase inhibitor carbonic acid anhydrase inhibitors carbonic anhydrase (EC 4.2.1.1) inhibitor carbonic anhydrase (EC 4.2.1.1) inhibitors carbonic anhydrase A inhibitor carbonic anhydrase A inhibitors carbonic anhydrase inhibitor carbonic anhydrase inhibitors carboxyanhydrase inhibitor carboxyanhydrase inhibitors CHEBI:23018 EC 4.2.1.1 (carbonic anhydrase) inhibitor EC 4.2.1.1 (carbonic anhydrase) inhibitors ChEBI EC 4.2.1.1 inhibitor ChEBI EC 4.2.1.1 inhibitors ChEBI anhydrase inhibitor ChEBI anhydrase inhibitors ChEBI carbonate anhydrase inhibitor ChEBI carbonate anhydrase inhibitors ChEBI carbonate dehydratase inhibitor ChEBI carbonate dehydratase inhibitors ChEBI carbonate hydro-lyase (carbon-dioxide-forming) inhibitor ChEBI carbonate hydro-lyase (carbon-dioxide-forming) inhibitors ChEBI carbonate hydro-lyase inhibitor ChEBI carbonate hydro-lyase inhibitors ChEBI carbonic acid anhydrase inhibitor ChEBI carbonic acid anhydrase inhibitors ChEBI carbonic anhydrase (EC 4.2.1.1) inhibitor ChEBI carbonic anhydrase (EC 4.2.1.1) inhibitors ChEBI carbonic anhydrase A inhibitor ChEBI carbonic anhydrase A inhibitors ChEBI carbonic anhydrase inhibitor ChEBI carbonic anhydrase inhibitors ChEBI carboxyanhydrase inhibitor ChEBI carboxyanhydrase inhibitors ChEBI 0 CO 28.01010 27.99491 O=C(*)* carbonyl carbonyl group chebi_ontology >C=O CHEBI:23019 carbonyl group carbonyl IUPAC carbonyl group ChEBI carbonyl group UniProt >C=O IUPAC Hydrocarbon carotenoids. carotenes http://langual.org Codex::160a Europe::160a http://www.langual.org/langual_thesaurus.asp?termid=B4414 carotene carotenes chebi_ontology carotenes CHEBI:23042 LanguaL term definition: Food additive. carotene carotene carotene ChEBI carotenes IUPAC carotenes ChEBI One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded. CAS:36-88-4 carotenoid chebi_ontology carotenes and carotenoids carotenoids CHEBI:23044 carotenoid CAS:36-88-4 ChemIDplus carotenoid IUPAC carotenes and carotenoids ChemIDplus carotenoids ChEBI Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives. 0 C15H14O6 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N 290.269 290.07904 C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O KEGG:C17590 LINCS:LSM-1682 catechin chebi_ontology (+/-)-Catechin catechins CHEBI:23053 catechin catechin A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy. 0 C7H5NO3SR2 183.18500 182.99901 [H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O CHEBI:3538 KEGG:C00875 PMID:10069359 PMID:11936371 PMID:12833570 PMID:24269048 PMID:3320614 PMID:6762896 PMID:8426246 Wikipedia:Cephalosporin Cephalosporin chebi_ontology cephalosphorin cephalosphorins cephalosporins CHEBI:23066 cephalosporin PMID:10069359 Europe PMC PMID:11936371 Europe PMC PMID:12833570 Europe PMC PMID:24269048 Europe PMC PMID:3320614 Europe PMC PMID:6762896 Europe PMC PMID:8426246 Europe PMC Cephalosporin KEGG_COMPOUND cephalosphorin ChEBI cephalosphorins ChEBI cephalosporins ChEBI chebi_ontology CHEBI:23089 chelate-forming peptide A substance intended to sterilize any organism. Wikipedia:Chemosterilant chebi_ontology chemosterilants CHEBI:23092 chemosterilant chemosterilants ChEBI chebi_ontology CHEBI:23100 chitin synthesis inhibitor chebi_ontology chloride salts chlorides CHEBI:23114 chloride salt chloride salts ChEBI chlorides ChEBI A compound derived from a hydrocarbon by replacing at least one hydrogen atom with a chlorine atom. chebi_ontology chlorinated hydrocarbons chlorohydrocarbons CHEBI:23115 chlorohydrocarbon chlorinated hydrocarbons ChEBI chlorohydrocarbons ChEBI 0 Cl InChI=1S/Cl ZAMOUSCENKQFHK-UHFFFAOYSA-N 35.45270 34.96885 [Cl] WebElements:Cl chlorine chebi_ontology 17Cl Chlor Cl chlore chlorine chlorum cloro CHEBI:23116 chlorine atom chlorine IUPAC 17Cl IUPAC Chlor ChEBI Cl IUPAC chlore ChEBI chlorine ChEBI chlorum ChEBI cloro ChEBI A halogen molecular entity containing one or more atoms of chlorine. chebi_ontology CHEBI:23117 chlorine molecular entity A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid. -1 C2H2ClO2 InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1 FOCAUTSVDIKZOP-UHFFFAOYSA-M 93.48900 92.97488 [O-]C(=O)CCl CAS:14526-03-5 MetaCyc:CHLOROACETIC-ACID Reaxys:1903575 UM-BBD_compID:c0007 chloroacetate chebi_ontology Chloroacetic acid ion(1-) chloroacetate anion chloroacetate(1-) mono-chloroacetate monochloroacetate anion monochloroacetic acid anion CHEBI:23123 chloroacetate CAS:14526-03-5 ChemIDplus Reaxys:1903575 Reaxys UM-BBD_compID:c0007 UM-BBD chloroacetate IUPAC chloroacetate UniProt Chloroacetic acid ion(1-) ChEBI chloroacetate anion ChEBI chloroacetate(1-) ChEBI mono-chloroacetate ChEBI monochloroacetate anion ChEBI monochloroacetic acid anion ChEBI Any haloalkane that consists of an alkane substituted by at least one chloro group. chloroalkane chebi_ontology alkyl chloride alkyl chlorides chloroalkanes CHEBI:23128 chloroalkane chloroalkane ChEBI alkyl chloride ChEBI alkyl chlorides ChEBI chloroalkanes ChEBI Any substituted aniline carrying at least one chloro group. chebi_ontology CHEBI:23130 chloroaniline Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines. chebi_ontology CHEBI:23132 chlorobenzenes Any member of the class of benzoates in which the benzene ring is substituted by at least one chloro group. chebi_ontology chlorobenzoates CHEBI:23133 chlorobenzoate chlorobenzoates ChEBI Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group. chebi_ontology chlorobenzoic acids CHEBI:23134 chlorobenzoic acid chlorobenzoic acids ChEBI A member of the class of benzophenones that is any substituted benzophenone in which at least one of the substituents is a chlorine. chebi_ontology chlorobenzophenones CHEBI:23135 chlorobenzophenone chlorobenzophenones ChEBI An organochlorine compound that is ethanol substituted by at least one chloro group. chebi_ontology chloroethanols CHEBI:23141 chloroethanol chloroethanols ChEBI A chloroalkene that is ethene in which one or more of the hydrogens has been replaced by chlorine. chebi_ontology chloroethylenes CHEBI:23142 chloroethenes chloroethylenes ChEBI A halomethane that is methane in which one or more hydrogens has been replaced by chlorine. chebi_ontology CHEBI:23148 chloromethanes A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. Wikipedia:Chlorophenol chebi_ontology chlorophenols CHEBI:23150 chlorophenol chlorophenols ChEBI A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any chlorophenoxyacetic acid. chebi_ontology CHEBI:23151 chlorophenoxyacetate anion A monocarboxylic acid that is phenoxyacetic acid in which at least one of the phenyl hydrogens is replaced by chlorine. chebi_ontology chlorophenoxyacetic acids CHEBI:23152 chlorophenoxyacetic acid chlorophenoxyacetic acids ChEBI Any chlorohydrocarbon that is phenylethane substituted by at least one chloro group at unspecified position. chebi_ontology chlorophenylethanes CHEBI:23154 chlorophenylethane chlorophenylethanes ChEBI A chlorohydrocarbon that is consists of ethylene in which one or more hydrogens are replaced by chlorophenyl groups. chebi_ontology CHEBI:23155 chlorophenylethylene A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position. chebi_ontology chlorophenylmethanes CHEBI:23156 chlorophenylmethane chlorophenylmethanes ChEBI Any chloroalkene that is propene substituted by at least one chloro group at unspecified position. chebi_ontology chloropropenes CHEBI:23162 chloropropene chloropropenes ChEBI CHEBI:3666 chebi_ontology choline esters CHEBI:23213 choline ester choline esters ChEBI A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof. chebi_ontology CHEBI:23217 cholines Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups. chebi_ontology CHEBI:23229 chromanol chebi_ontology CHEBI:23230 chromanes chebi_ontology CHEBI:23232 chromenes chromium molecular entity chebi_ontology chromium compounds chromium molecular entities CHEBI:23237 chromium molecular entity chromium molecular entity ChEBI chromium compounds ChEBI chromium molecular entities ChEBI chebi_ontology CHEBI:23239 chromopeptide The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized. Wikipedia:Chromophore chromophore chebi_ontology chromophores CHEBI:23240 chromophore chromophore IUPAC chromophores ChEBI Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives. chebi_ontology CHEBI:23252 cinnamic acids chebi_ontology CHEBI:23334 cobalamins Co 58.933 58.93320 cobalt cation chebi_ontology cobalt cations CHEBI:23336 cobalt cation cobalt cation IUPAC cobalt cations ChEBI chebi_ontology CHEBI:23341 cobamides A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. coenzyme chebi_ontology coenzymes CHEBI:23354 coenzyme coenzyme IUPAC coenzymes ChEBI An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Wikipedia:Cofactor_(biochemistry) cofactor cofactors chebi_ontology CHEBI:23357 cofactor cofactor IUPAC cofactors IUPAC chebi_ontology CHEBI:23366 compatible osmolytes Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. molecular entity chebi_ontology entidad molecular entidades moleculares entite moleculaire molecular entities molekulare Entitaet CHEBI:23367 molecular entity molecular entity IUPAC entidad molecular IUPAC entidades moleculares IUPAC entite moleculaire IUPAC molecular entities IUPAC molekulare Entitaet ChEBI copper molecular entity chebi_ontology copper compounds copper molecular entities CHEBI:23377 copper molecular entity copper molecular entity ChEBI copper compounds ChEBI copper molecular entities ChEBI Cu 63.546 62.92960 copper cation chebi_ontology Cu cation copper cations CHEBI:23378 copper cation copper cation IUPAC Cu cation UniProt copper cations ChEBI Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen. 0 C12H11N3 InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+ QPQKUYVSJWQSDY-CCEZHUSRSA-N 197.23580 197.09530 Nc1ccc(cc1)\N=N\c1ccccc1 CAS:60-09-3 KEGG:C19187 PMID:11084593 PMID:13233869 PMID:13243097 PMID:14906551 PMID:17899332 PMID:18321769 PMID:18844695 PMID:23760354 PMID:32785935 PMID:3607307 PMID:6010711 PMID:7265110 PMID:8365123 Reaxys:513850 Wikipedia:Aniline_Yellow 4-[(E)-phenyldiazenyl]aniline chebi_ontology 4-(Phenylazo)benzenamine 4-(phenyldiazenyl)aniline 4-AAB 4-Amino-1,1'-azobenzene 4-Aminoazobenzene 4-Phenylazo-phenylamine 4-Phenylazophenylamine AAB Aniline Yellow Aniline yellow p-AAZB p-aminoazobenzene CHEBI:233869 4-(phenylazo)aniline CAS:60-09-3 ChemIDplus CAS:60-09-3 KEGG COMPOUND PMID:11084593 Europe PMC PMID:13233869 Europe PMC PMID:13243097 Europe PMC PMID:14906551 Europe PMC PMID:17899332 Europe PMC PMID:18321769 Europe PMC PMID:18844695 Europe PMC PMID:23760354 Europe PMC PMID:32785935 Europe PMC PMID:3607307 Europe PMC PMID:6010711 Europe PMC PMID:7265110 ChEMBL PMID:8365123 Europe PMC Reaxys:513850 Reaxys 4-[(E)-phenyldiazenyl]aniline IUPAC 4-(Phenylazo)benzenamine ChemIDplus 4-(phenyldiazenyl)aniline ChEBI 4-AAB ChEBI 4-Amino-1,1'-azobenzene ChemIDplus 4-Aminoazobenzene ChemIDplus 4-Aminoazobenzene KEGG_COMPOUND 4-Phenylazo-phenylamine ChEMBL 4-Phenylazophenylamine ChEBI AAB ChEBI Aniline Yellow ChemIDplus Aniline yellow KEGG_COMPOUND p-AAZB ChEBI p-aminoazobenzene ChemIDplus chebi_ontology CHEBI:23390 cobalt-corrinoid hexaamide chebi_ontology CHEBI:23403 coumarins chebi_ontology CHEBI:23423 pseudohalogen oxoacid Salts and C-organyl derivatives of hydrogen cyanide, HC#N. cyanides chebi_ontology CHEBI:23424 cyanides cyanides IUPAC An alpha-hydroxynitrile resulting from the formal addition of hydrogen cyanide to the C=O bond of an aldehyde or ketone. 0 C2HNOR2 55.03540 55.00581 OC([*])([*])C#N CHEBI:3981 KEGG:C05712 Cyanohydrin chebi_ontology cyanohydrins CHEBI:23437 cyanohydrin Cyanohydrin KEGG_COMPOUND cyanohydrins ChEBI CHEBI:3990 cyclic amide chebi_ontology cyclic amides CHEBI:23443 cyclic amide cyclic amide ChEBI cyclic amides ChEBI A cyclic terpene ketone in which the terpene specified is monoterpene. chebi_ontology cyclic monoterpene ketones CHEBI:23446 cyclic monoterpene ketone cyclic monoterpene ketones ChEBI chebi_ontology cyclic nucleotides CHEBI:23447 cyclic nucleotide cyclic nucleotides ChEBI chebi_ontology Cyclopeptid Zyklopeptid cyclic peptides peptide cyclique peptido ciclico CHEBI:23449 cyclic peptide Cyclopeptid ChEBI Zyklopeptid ChEBI cyclic peptides ChEBI peptide cyclique IUPAC peptido ciclico IUPAC A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom. cyclitols chebi_ontology CHEBI:23451 cyclitol cyclitols IUPAC Saturated monocyclic hydrocarbons (with or without side chains). cycloalkane cycloalkanes chebi_ontology Zyklan Zykloalkan Zykloparaffin cyclane cycloalkanes cycloparaffin CHEBI:23453 cycloalkane cycloalkane IUPAC cycloalkanes IUPAC Zyklan ChEBI Zykloalkan ChEBI Zykloparaffin ChEBI cyclane ChEBI cycloalkanes ChEBI cycloparaffin ChEBI A sub-category of organochlorine insecticides, the members of which are all derived from hexachlorocyclopentadiene. They possess a structure based on two 3-dimensional carbon ring units, one of which is heavily chlorinated. cyclodiene organochlorine insecticide chebi_ontology CHEBI:23457 cyclodiene organochlorine insecticide cyclodiene organochlorine insecticide ChEBI An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. chebi_ontology CHEBI:23480 cyclohexanols Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. chebi_ontology CHEBI:23482 cyclohexanones chebi_ontology cyclohexenecarboxylic acids CHEBI:23483 cyclohexenecarboxylic acid cyclohexenecarboxylic acids ChEBI A cycloalkane that consists of five carbons each bonded with two hydrogens above and below the plane. The parent of the class of cyclopentanes. 0 C5H10 InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2 RGSFGYAAUTVSQA-UHFFFAOYSA-N 70.13290 70.07825 C1CCCC1 Beilstein:1900195 CAS:287-92-3 Gmelin:1313 PMID:21598927 Reaxys:1900195 Wikipedia:Cyclopentane cyclopentane chebi_ontology Cyclopentan Zyklopentan ciclopentano pentamethylene CHEBI:23492 cyclopentane Beilstein:1900195 Beilstein CAS:287-92-3 ChemIDplus CAS:287-92-3 NIST Chemistry WebBook Gmelin:1313 Gmelin PMID:21598927 Europe PMC Reaxys:1900195 Reaxys cyclopentane IUPAC Cyclopentan ChEBI Zyklopentan ChEBI ciclopentano ChEBI pentamethylene NIST_Chemistry_WebBook Cyclopentane and its derivatives formed by substitution. chebi_ontology CHEBI:23493 cyclopentanes 0 C4H6O2 InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6) YMGUBTXCNDTFJI-UHFFFAOYSA-N 86.08924 86.03678 OC(=O)C1CC1 Beilstein:969839 CAS:1759-53-1 Gmelin:2246 KEGG:C16267 cyclopropanecarboxylic acid chebi_ontology carboxycyclopropane cyclopropylcarboxylic acid CHEBI:23500 cyclopropanecarboxylic acid Beilstein:969839 Beilstein CAS:1759-53-1 ChemIDplus CAS:1759-53-1 KEGG COMPOUND CAS:1759-53-1 NIST Chemistry WebBook Gmelin:2246 Gmelin cyclopropanecarboxylic acid IUPAC carboxycyclopropane ChemIDplus cyclopropylcarboxylic acid ChemIDplus An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues. CHEBI:25309 cysteine derivative chebi_ontology cysteine derivatives CHEBI:23509 cysteine derivative cysteine derivative ChEBI cysteine derivatives ChEBI An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. 0 C29H37NO5 InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1 GBOGMAARMMDZGR-TYHYBEHESA-N 479.60780 479.26717 [H][C@@]12\C=C\C[C@H](C)CCC[C@@H](O)\C=C\C(=O)O[C@]11C(=O)N[C@@H](Cc3ccccc3)[C@]1([H])[C@H](C)C(=C)[C@H]2O AGR:IND605251338 AGR:IND605574141 CAS:14930-96-2 KEGG:C19954 KNApSAcK:C00011322 LIPID_MAPS_instance:LMPK11000002 MetaCyc:CPD-20745 PMID:10716458 PMID:15869745 PMID:22882828 PMID:27581081 PMID:29050297 PMID:33070838 PMID:33996522 PMID:7327176 PMID:7378656 PMID:9568120 Reaxys:1096210 Wikipedia:Cytochalasin_B (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione cytochalasin B chebi_ontology Phomin CHEBI:23527 cytochalasin B AGR:IND605251338 Europe PMC AGR:IND605574141 Europe PMC CAS:14930-96-2 ChemIDplus LIPID_MAPS_instance:LMPK11000002 LIPID MAPS PMID:10716458 Europe PMC PMID:15869745 Europe PMC PMID:22882828 Europe PMC PMID:27581081 Europe PMC PMID:29050297 Europe PMC PMID:33070838 Europe PMC PMID:33996522 Europe PMC PMID:7327176 Europe PMC PMID:7378656 Europe PMC PMID:9568120 Europe PMC Reaxys:1096210 Reaxys (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione IUPAC cytochalasin B UniProt Phomin ChEBI Wikipedia:Cytochalasin chebi_ontology cytochalasins CHEBI:23528 cytochalasin cytochalasins ChEBI chebi_ontology CHEBI:23529 cytochrome-b6f complex inhibitor A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots. Wikipedia:Cytokinin chebi_ontology CHEBI:23530 cytokinin A herbicide which when sprayed or dusted on plants causes its leaves to fall off. chebi_ontology Defoliationsmittel Entlaubungsmittel defoliants CHEBI:23582 defoliant Defoliationsmittel ChEBI Entlaubungsmittel ChEBI defoliants ChEBI chebi_ontology deoxyribonucleosides CHEBI:23636 deoxyribonucleoside deoxyribonucleosides ChEBI Any polyamine that contains two amino groups. diamines chebi_ontology CHEBI:23666 diamine diamines IUPAC An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring. chebi_ontology diazoles CHEBI:23677 diazole diazoles ChEBI chebi_ontology dicarboxylic acid amides CHEBI:23690 dicarboxylic acid amide dicarboxylic acid amides ChEBI Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions. dichlorobenzene chebi_ontology Dichlorbenzol dichlorobenzenes CHEBI:23697 dichlorobenzene dichlorobenzene ChEBI dichlorobenzene IUPAC Dichlorbenzol ChEBI dichlorobenzenes ChEBI Any chlorophenol carrying chloro substituents. Wikipedia:Dichlorophenol chebi_ontology CHEBI:23702 dichlorophenol 0 C4H6O2 InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2 ZFIVKAOQEXOYFY-UHFFFAOYSA-N 86.08924 86.03678 C1OC1C1CO1 Beilstein:79831 CAS:1464-53-5 2,2'-bioxirane chebi_ontology 1,1'-bi[ethylene oxide] 1,2:3,4-butadiene diepoxide 1,2:3,4-dianhydrothreitol 1,2:3,4-diepoxybutane 1,3-butadiene diepoxide Butadiendioxyd DEB bioxirane butadiene diepoxide butadiene dioxide butane diepoxide dioxybutadiene CHEBI:23704 diepoxybutane Beilstein:79831 Beilstein CAS:1464-53-5 ChemIDplus CAS:1464-53-5 NIST Chemistry WebBook 2,2'-bioxirane IUPAC 1,1'-bi[ethylene oxide] NIST_Chemistry_WebBook 1,2:3,4-butadiene diepoxide ChemIDplus 1,2:3,4-dianhydrothreitol NIST_Chemistry_WebBook 1,2:3,4-diepoxybutane ChemIDplus 1,3-butadiene diepoxide NIST_Chemistry_WebBook Butadiendioxyd ChemIDplus DEB NIST_Chemistry_WebBook bioxirane NIST_Chemistry_WebBook butadiene diepoxide NIST_Chemistry_WebBook butadiene dioxide NIST_Chemistry_WebBook butane diepoxide NIST_Chemistry_WebBook dioxybutadiene ChemIDplus chebi_ontology quinolones CHEBI:23765 quinolone quinolones ChEBI Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives. chebi_ontology dihydroxybenzoic acids CHEBI:23778 dihydroxybenzoic acid dihydroxybenzoic acids ChEBI chebi_ontology CHEBI:237958 ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate A methylaniline carrying at least two methyl groups. chebi_ontology dimethylanilines CHEBI:23806 dimethylaniline dimethylanilines ChEBI Any nitrotoluene carrying two nitro substituents. chebi_ontology dinitrotoluenes CHEBI:23822 dinitrotoluene dinitrotoluenes ChEBI A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols. Wikipedia:Diol diols chebi_ontology CHEBI:23824 diol diols IUPAC Oxanthrene (formerly dibenzo[b,e][1,4]dioxine) and its derivatives. chebi_ontology dibenzodioxines dibenzodioxins dioxins oxanthrenes CHEBI:23825 dibenzodioxine dibenzodioxines ChEBI dibenzodioxins ChEBI dioxins ChEBI oxanthrenes ChEBI chebi_ontology disaccharide phosphates CHEBI:23843 disaccharide phosphate disaccharide phosphates ChEBI Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0104 diterpenoids chebi_ontology C20 isoprenoids diterpenoides CHEBI:23849 diterpenoid diterpenoid LIPID_MAPS_class:LMPR0104 LIPID MAPS diterpenoids IUPAC C20 isoprenoids LIPID_MAPS diterpenoides ChEBI chebi_ontology dithiols CHEBI:23853 dithiol dithiols ChEBI 0 C12H25 169.32690 169.19563 CCCCCCCCCCCC* dodecyl chebi_ontology CH3-[CH2]11- Dod dodecan-1-yl lauryl CHEBI:23870 dodecyl group dodecyl IUPAC CH3-[CH2]11- IUPAC Dod CBN dodecan-1-yl ChEBI lauryl ChEBI -1 C12H25O4S InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1 MOTZDAYCYVMXPC-UHFFFAOYSA-M 265.39050 265.14790 CCCCCCCCCCCCOS([O-])(=O)=O Beilstein:1820003 DrugBank:DB03967 Gmelin:336103 UM-BBD_compID:c0563 dodecyl sulfate chebi_ontology CHEBI:23872 dodecyl sulfate Beilstein:1820003 Beilstein Gmelin:336103 Gmelin UM-BBD_compID:c0563 UM-BBD dodecyl sulfate IUPAC dodecyl sulfate UniProt Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. chebi_ontology drugs medicine CHEBI:23888 drug drugs ChEBI medicine ChEBI chebi_ontology CHEBI:23891 ecdysone antagonists A class of steroids that include insect moulting and sex hormones. CHEBI:23896 Wikipedia:Ecdysteroid chebi_ontology ecdysteroid hormones ecdysteroids CHEBI:23897 ecdysteroid ecdysteroid hormones ChEBI ecdysteroids ChEBI Any member of the group of signalling molecules arising from oxidation of the three C20 essential fatty acids (EFAs) icosapentaenoic acid (EPA), arachidonic acid (AA) and dihomo-gamma-linolenic acid (DGLA). LIPID_MAPS_class:LMFA03 PMID:12697726 PMID:16107763 PMID:19160658 PMID:2657063 Wikipedia:Eicosanoid icosanoid chebi_ontology eicosanoid eicosanoids icosanoids CHEBI:23899 icosanoid LIPID_MAPS_class:LMFA03 LIPID MAPS PMID:12697726 Europe PMC PMID:16107763 Europe PMC PMID:19160658 Europe PMC PMID:2657063 Europe PMC icosanoid LIPID_MAPS eicosanoid ChEBI eicosanoids ChEBI icosanoids ChEBI chebi_ontology monoatomic anions CHEBI:23905 monoatomic anion monoatomic anions ChEBI chebi_ontology monoatomic cations CHEBI:23906 monoatomic cation monoatomic cations ChEBI A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. enzyme inhibitor chebi_ontology enzyme inhibitors inhibidor enzimatico inhibidores enzimaticos inhibiteur enzymatique inhibiteurs enzymatiques CHEBI:23924 enzyme inhibitor enzyme inhibitor IUPAC enzyme inhibitors ChEBI inhibidor enzimatico ChEBI inhibidores enzimaticos ChEBI inhibiteur enzymatique ChEBI inhibiteurs enzymatiques ChEBI A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. 0 C14H20ClNO2 InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 VTNQPKFIQCLBDU-UHFFFAOYSA-N 269.76684 269.11826 CCOCN(C(=O)CCl)c1c(C)cccc1CC Beilstein:2859702 CAS:34256-82-1 KEGG:C10925 PMID:16646021 PMID:17534384 PPDB:12 Pesticides:acetochlor Reaxys:2859702 Wikipedia:Acetochlor 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide Acetochlor acetochlor chebi_ontology 2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide 2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide 2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide Acetochlore CHEBI:2394 acetochlor Beilstein:2859702 Beilstein CAS:34256-82-1 ChemIDplus CAS:34256-82-1 KEGG COMPOUND CAS:34256-82-1 NIST Chemistry WebBook PMID:16646021 Europe PMC PMID:17534384 Europe PMC Pesticides:acetochlor Alan Wood's Pesticides Reaxys:2859702 Reaxys 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Acetochlor KEGG_COMPOUND acetochlor UniProt 2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide ChemIDplus 2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide ChemIDplus 2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide ChemIDplus Acetochlore ChemIDplus chebi_ontology CHEBI:23953 erythromycins chebi_ontology CHEBI:23955 erythronolide A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17. 0 C18H24O2 InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17?,18+/m1/s1 VOXZDWNPVJITMN-WKUFJEKOSA-N 272.38196 272.17763 [H][C@]12CC[C@]3(C)C(O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHEBI:42364 PMID:10696569 PMID:24084694 Wikipedia:Estradiol estra-1,3,5(10)-triene-3,17-diol chebi_ontology oestradiol CHEBI:23965 estradiol PMID:10696569 Europe PMC PMID:24084694 Europe PMC estra-1,3,5(10)-triene-3,17-diol IUPAC oestradiol ChEBI 0 C18H30 InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1 GRXPVLPQNMUNNX-MHJRRCNVSA-N 246.43080 246.23475 [H][C@]12CCCCC1CC[C@]1([H])[C@]2([H])CC[C@]2(C)CCC[C@@]12[H] Beilstein:3125721 LIPID_MAPS_instance:LMST02010000 estrane chebi_ontology Oestran oestrane CHEBI:23966 estrane Beilstein:3125721 Beilstein LIPID_MAPS_instance:LMST02010000 LIPID MAPS estrane IUPAC Oestran ChEBI oestrane JCBN Any diol that is ethane or substituted ethane carrying two hydroxy groups. chebi_ontology ethanediols CHEBI:23976 ethanediol ethanediols ChEBI chebi_ontology ethanolamine CHEBI:23981 ethanolamines ethanolamine ChEBI Any primary alcohol based on an ethanol skeleton. chebi_ontology CHEBI:23982 ethanols Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol. 0 C3H5O2R 73.07060 73.02895 CCOC([*])=O CHEBI:85056 chebi_ontology carboxylic acid ethyl ester carboxylic acid ethyl esters ethyl carboxylate ethyl carboxylates ethyl esters CHEBI:23990 ethyl ester carboxylic acid ethyl ester ChEBI carboxylic acid ethyl esters ChEBI ethyl carboxylate ChEBI ethyl carboxylates ChEBI ethyl esters ChEBI A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups. 0 C3H7N3O2 InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7) FUSGACRLAFQQRL-UHFFFAOYSA-N 117.10660 117.05383 CCN(N=O)C(N)=O Beilstein:1761174 CAS:759-73-9 KEGG:C19178 PMID:11732210 PMID:11853764 PMID:11880538 PMID:16423555 PMID:21861612 PMID:22012195 PMID:22238669 PMID:23551873 PMID:24175309 PMID:8603364 Reaxys:1761174 Wikipedia:ENU 1-ethyl-1-nitrosourea chebi_ontology 1-(Aminocarbonyl)-1-ethyl-2-oxohydrazine 1-Ethyl-1-nitrosourea Aethylnitroso-harnstoff ENU Ethyl nitrosourea N-Ethyl-N-nitroso carbamide N-Ethyl-N-nitroso-urea N-Ethylnitrosourea NEU CHEBI:23995 N-ethyl-N-nitrosourea Beilstein:1761174 Beilstein CAS:759-73-9 ChemIDplus CAS:759-73-9 KEGG COMPOUND CAS:759-73-9 NIST Chemistry WebBook PMID:11732210 Europe PMC PMID:11853764 Europe PMC PMID:11880538 Europe PMC PMID:16423555 Europe PMC PMID:21861612 Europe PMC PMID:22012195 Europe PMC PMID:22238669 Europe PMC PMID:23551873 Europe PMC PMID:24175309 Europe PMC PMID:8603364 Europe PMC Reaxys:1761174 Reaxys 1-ethyl-1-nitrosourea IUPAC 1-(Aminocarbonyl)-1-ethyl-2-oxohydrazine NIST_Chemistry_WebBook 1-Ethyl-1-nitrosourea ChemIDplus Aethylnitroso-harnstoff ChemIDplus ENU ChemIDplus Ethyl nitrosourea ChemIDplus N-Ethyl-N-nitroso carbamide ChemIDplus N-Ethyl-N-nitroso-urea ChemIDplus N-Ethylnitrosourea ChemIDplus NEU NIST_Chemistry_WebBook An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group. chebi_ontology ethyl sulfides CHEBI:23996 ethyl sulfide ethyl sulfides ChEBI chebi_ontology CHEBI:24002 ethylene releasers Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. PMID:31838543 PMID:32057251 PMID:33549284 PMID:34045883 chebi_ontology fat-soluble vitamin fat-soluble vitamins fettloesliche Vitamine CHEBI:24020 fat-soluble vitamin (role) PMID:31838543 Europe PMC PMID:32057251 Europe PMC PMID:33549284 Europe PMC PMID:34045883 Europe PMC fat-soluble vitamin ChEBI fat-soluble vitamins ChEBI fettloesliche Vitamine ChEBI An aliphatic alcohol consisting of a chain of 3 to greater than 27 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched. 0 HOR 17.007 17.00274 O[*] LIPID_MAPS_class:LMFA05 MetaCyc:Fatty-Alcohols Wikipedia:Fatty_alcohol fatty alcohol chebi_ontology Fettalkohol Fettalkohole alcool gras fatty alcohols CHEBI:24026 fatty alcohol LIPID_MAPS_class:LMFA05 LIPID MAPS fatty alcohol ChEBI Fettalkohol ChEBI Fettalkohole ChEBI alcool gras ChEBI fatty alcohols ChEBI fatty alcohols LIPID_MAPS chebi_ontology CHEBI:24028 iron(3+) chelator chebi_ontology CHEBI:24031 ferulic acids A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives. 0 C15O2R10 212.160 211.98983 O1C2=C(C(C(=C1C3=C(C(=C(C(=C3*)*)*)*)*)*)=O)C(=C(C(=C2*)*)*)* MetaCyc:Flavones Wikipedia:Flavone chebi_ontology 2-aryl-1-benzopyran-4-one 2-aryl-1-benzopyran-4-ones 2-arylchromen-4-one 2-arylchromen-4-ones a flavone CHEBI:24043 flavones flavones An ortho-fused polycyclic arene in which the skeleton is composed of two benzene rings ortho-fused to cyclopentane. chebi_ontology CHEBI:24059 fluorenes chebi_ontology fluoride salts fluorides CHEBI:24060 fluoride salt fluoride salts ChEBI fluorides ChEBI 0 F InChI=1S/F YCKRFDGAMUMZLT-UHFFFAOYSA-N 18.99840 18.99840 [F] CAS:7782-41-4 WebElements:F fluorine chebi_ontology 9F F Fluor fluor fluorine fluorum CHEBI:24061 fluorine atom CAS:7782-41-4 ChemIDplus fluorine IUPAC 9F IUPAC F IUPAC Fluor ChemIDplus fluor ChEBI fluorine ChEBI fluorum ChEBI fluorine molecular entity chebi_ontology fluorine compounds fluorine molecular entities CHEBI:24062 fluorine molecular entity fluorine molecular entity ChEBI fluorine compounds ChEBI fluorine molecular entities ChEBI A haloalkane that is an alkane in which at least one hydrogen atom has been replaced by a fluorine atom. fluoroalkane chebi_ontology fluoroalkanes CHEBI:24067 fluoroalkane fluoroalkane ChEBI fluoroalkanes ChEBI Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H). chebi_ontology CHEBI:24079 formamides A substance used to destroy fungal pests. chebi_ontology fungicides CHEBI:24127 fungicide fungicides ChEBI Compounds containing at least one furan ring. chebi_ontology oxacyclopenta-2,4-dienes CHEBI:24129 furans oxacyclopenta-2,4-dienes ChEBI chebi_ontology galactosamines CHEBI:24156 galactosamine galactosamines ChEBI chebi_ontology gibberellins CHEBI:24250 gibberellin gibberellins ChEBI Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood. chebi_ontology glucocorticoids CHEBI:24261 glucocorticoid glucocorticoids ChEBI An oligosaccharide comprised of glucose residues. chebi_ontology glucooligosaccharides CHEBI:24268 glucooligosaccharide glucooligosaccharides ChEBI Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group. chebi_ontology CHEBI:24271 glucosamines chebi_ontology glucosides CHEBI:24278 glucoside glucoside glucosides ChEBI An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues. chebi_ontology CHEBI:24315 glutamic acid derivative An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class. PMID:20716061 chebi_ontology glutamine family amino acids CHEBI:24318 glutamine family amino acid PMID:20716061 Europe PMC glutamine family amino acids ChEBI An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2). Wikipedia:Glutamine_synthetase chebi_ontology EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors EC 6.3.1.2 inhibitor EC 6.3.1.2 inhibitors L-glutamate:ammonia ligase (ADP-forming) inhibitor L-glutamate:ammonia ligase (ADP-forming) inhibitors L-glutamine synthetase inhibitor L-glutamine synthetase inhibitors glutamate--ammonia ligase (EC 6.3.1.2) inhibitor glutamate--ammonia ligase (EC 6.3.1.2) inhibitors glutamate--ammonia ligase inhibitor glutamate--ammonia ligase inhibitors glutamine synthetase inhibitor glutamine synthetase inhibitors glutamylhydroxamic synthetase inhibitor glutamylhydroxamic synthetase inhibitors CHEBI:24319 EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors ChEBI EC 6.3.1.2 inhibitor ChEBI EC 6.3.1.2 inhibitors ChEBI L-glutamate:ammonia ligase (ADP-forming) inhibitor ChEBI L-glutamate:ammonia ligase (ADP-forming) inhibitors ChEBI L-glutamine synthetase inhibitor ChEBI L-glutamine synthetase inhibitors ChEBI glutamate--ammonia ligase (EC 6.3.1.2) inhibitor ChEBI glutamate--ammonia ligase (EC 6.3.1.2) inhibitors ChEBI glutamate--ammonia ligase inhibitor ChEBI glutamate--ammonia ligase inhibitors ChEBI glutamine synthetase inhibitor ChEBI glutamine synthetase inhibitors ChEBI glutamylhydroxamic synthetase inhibitor ChEBI glutamylhydroxamic synthetase inhibitors ChEBI Any ether having glyceryl as at least one of the O-substituents. chebi_ontology CHEBI:24353 glycerol ether A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. chebi_ontology CHEBI:24373 glycine derivative glycogens Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide. CHEBI:24395 CHEBI:5478 glycopeptides chebi_ontology CHEBI:24396 glycopeptide glycopeptides IUPAC A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively. glycosides chebi_ontology O-glycoside O-glycosides glycosides CHEBI:24400 glycoside glycosides IUPAC O-glycoside ChEBI O-glycosides ChEBI glycosides ChEBI chebi_ontology glycosylglucoses CHEBI:24405 glycosylglucose glycosylglucoses ChEBI Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres. glycosyl glycoside chebi_ontology glycosyl glycosides CHEBI:24407 glycosyl glycoside glycosyl glycoside ChEBI glycosyl glycosides ChEBI A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. chemical entity chebi_ontology CHEBI:24431 chemical entity chemical entity UniProt A role played by the molecular entity or part thereof within a biological context. chebi_ontology biological function CHEBI:24432 biological role biological function ChEBI A defined linked collection of atoms or a single atom within a molecular entity. group chebi_ontology Gruppe Rest groupe grupo grupos CHEBI:24433 group group IUPAC Gruppe ChEBI Rest ChEBI groupe IUPAC grupo IUPAC grupos IUPAC Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas. chebi_ontology CHEBI:24436 guanidines chebi_ontology guanosine phosphates CHEBI:24455 guanosine phosphate guanosine phosphates ChEBI A halohydrocarbon that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom. chebi_ontology alkyl halide alkyl halides haloalkanes CHEBI:24469 haloalkane alkyl halide ChEBI alkyl halides ChEBI haloalkanes ChEBI Any non-proteinogenic amino acid carrying at least one halo group. chebi_ontology haloamino acids CHEBI:24470 haloamino acid haloamino acids ChEBI halogen molecular entity chebi_ontology halogen compounds halogen molecular entities CHEBI:24471 halogen molecular entity halogen molecular entity ChEBI halogen compounds ChEBI halogen molecular entities ChEBI A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom. chebi_ontology halogenated hydrocarbons halohydrocarbons CHEBI:24472 halohydrocarbon halogenated hydrocarbons ChEBI halohydrocarbons ChEBI halogen halogens chebi_ontology Halogene group 17 elements group VII elements halogene halogenes halogeno halogenos CHEBI:24473 halogen halogen IUPAC halogens IUPAC Halogene ChEBI group 17 elements ChEBI group VII elements ChEBI halogene ChEBI halogenes ChEBI halogeno ChEBI halogenos ChEBI chebi_ontology CHEBI:24505 heparins A substance used to destroy plant pests. Wikipedia:Herbicide chebi_ontology Herbizid Unkrautbekaempfungsmittel Unkrautvertilgungsmittel Wildkrautbekaempfungsmittel herbicides CHEBI:24527 herbicide Herbizid ChEBI Unkrautbekaempfungsmittel ChEBI Unkrautvertilgungsmittel ChEBI Wildkrautbekaempfungsmittel ChEBI herbicides ChEBI chebi_ontology CHEBI:24531 heterocyclic antibiotic A cyclic compound having as ring members atoms of carbon and at least of one other element. chebi_ontology organic heterocycle organic heterocyclic compounds CHEBI:24532 organic heterocyclic compound organic heterocycle ChEBI organic heterocyclic compounds ChEBI A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond. heterodetic cyclic peptide chebi_ontology heterodetic cyclic peptides peptide cyclique heterodetique peptido ciclico heterodetico CHEBI:24533 heterodetic cyclic peptide heterodetic cyclic peptide IUPAC heterodetic cyclic peptides ChEBI peptide cyclique heterodetique IUPAC peptido ciclico heterodetico IUPAC 0 C6H6Cl6 InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H JLYXXMFPNIAWKQ-UHFFFAOYSA-N 290.82804 287.86007 ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Beilstein:1907331 CAS:608-73-1 Gmelin:261134 KEGG:C18738 PMID:31394347 PMID:32827819 1,2,3,4,5,6-hexachlorocyclohexane hexachlorocyclohexane chebi_ontology 1,2,3,4,5,6-Hexachlorocyclohexane BHC HCH Hexachlorcyclohexan Hexachlorzyklohexan benzene hexachloride hexachlorocyclohexanes CHEBI:24536 hexachlorocyclohexane Beilstein:1907331 ChemIDplus CAS:608-73-1 ChemIDplus CAS:608-73-1 KEGG COMPOUND Gmelin:261134 Gmelin PMID:31394347 Europe PMC PMID:32827819 Europe PMC 1,2,3,4,5,6-hexachlorocyclohexane IUPAC hexachlorocyclohexane ChemIDplus 1,2,3,4,5,6-Hexachlorocyclohexane KEGG_COMPOUND BHC ChemIDplus HCH ChemIDplus Hexachlorcyclohexan ChEBI Hexachlorzyklohexan ChEBI benzene hexachloride ChemIDplus hexachlorocyclohexanes ChemIDplus An N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives. 0 C3H6N6O6 InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2 XTFIVUDBNACUBN-UHFFFAOYSA-N 222.11658 222.03488 [O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O CAS:121-82-4 Gmelin:985564 PMID:25142696 PMID:26247847 PMID:26552520 PMID:27010164 PMID:27285383 PMID:27301804 PMID:27387802 UM-BBD_compID:c0639 Wikipedia:RDX 1,3,5-trinitro-1,3,5-triazinane chebi_ontology 1,3,5-trinitro-1,3,5-triazacyclohexane 1,3,5-trinitrohexahydro-1,3,5-triazine 1,3,5-trinitrohexahydro-s-triazine Cyclonite Hexogen RDX cyclotrimethylenetrinitramine hexahydro-1,3,5-trinitro-1,3,5-triazine sym-trimethylene trinitramine trimethyleentrinitramine trinitrotrimethylenetriamine CHEBI:24556 1,3,5-trinitro-1,3,5-triazinane CAS:121-82-4 ChemIDplus CAS:121-82-4 NIST Chemistry WebBook Gmelin:985564 Gmelin PMID:25142696 Europe PMC PMID:26247847 Europe PMC PMID:26552520 Europe PMC PMID:27010164 Europe PMC PMID:27285383 Europe PMC PMID:27301804 Europe PMC PMID:27387802 Europe PMC UM-BBD_compID:c0639 UM-BBD 1,3,5-trinitro-1,3,5-triazinane IUPAC 1,3,5-trinitro-1,3,5-triazacyclohexane ChemIDplus 1,3,5-trinitrohexahydro-1,3,5-triazine ChemIDplus 1,3,5-trinitrohexahydro-s-triazine ChemIDplus Cyclonite ChemIDplus Hexogen NIST_Chemistry_WebBook RDX ChemIDplus cyclotrimethylenetrinitramine ChemIDplus hexahydro-1,3,5-trinitro-1,3,5-triazine UM-BBD sym-trimethylene trinitramine ChemIDplus trimethyleentrinitramine ChemIDplus trinitrotrimethylenetriamine ChemIDplus 0 C6H18N3OP InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3 GNOIPBMMFNIUFM-UHFFFAOYSA-N 179.20050 179.11875 CN(C)P(=O)(N(C)C)N(C)C Beilstein:1099903 CAS:680-31-9 Gmelin:3259 KEGG:C19250 N,N,N',N',N'',N''-hexamethylphosphoric triamide hexamethylphosphoric triamide chebi_ontology HEMPA HMPA HMPT HMPTA Hexamethylphosphoramid Hexamethylphosphorsaeuretriamid hexamethylorthophosphoric triamide hexamethylphosphoramide hexamethylphosphoric acid triamide phosphoric acid hexamethyltriamide phosphoric hexamethyltriamide phosphoric tris(dimethylamide) CHEBI:24565 hexamethylphosphoric triamide Beilstein:1099903 Beilstein CAS:680-31-9 ChemIDplus CAS:680-31-9 KEGG COMPOUND CAS:680-31-9 NIST Chemistry WebBook Gmelin:3259 Gmelin N,N,N',N',N'',N''-hexamethylphosphoric triamide IUPAC hexamethylphosphoric triamide ChemIDplus HEMPA NIST_Chemistry_WebBook HMPA ChemIDplus HMPA KEGG_COMPOUND HMPT ChemIDplus HMPTA ChemIDplus Hexamethylphosphoramid ChEBI Hexamethylphosphorsaeuretriamid ChEBI hexamethylorthophosphoric triamide NIST_Chemistry_WebBook hexamethylphosphoramide ChEBI hexamethylphosphoric acid triamide ChemIDplus phosphoric acid hexamethyltriamide NIST_Chemistry_WebBook phosphoric hexamethyltriamide NIST_Chemistry_WebBook phosphoric tris(dimethylamide) NIST_Chemistry_WebBook A C6, medium-chain fatty acid carrying a double bond at any position along the main chain. 0 C6H10O2 114.143 114.06808 hexenoic acid chebi_ontology hexenoic acids CHEBI:24580 hexenoic acid hexenoic acid IUPAC hexenoic acids ChEBI hexitol chebi_ontology hexitols CHEBI:24583 hexitol hexitol ChEBI hexitols ChEBI Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group. hexosamine chebi_ontology hexosamines CHEBI:24586 hexosamine hexosamine ChEBI hexosamines ChEBI Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. chebi_ontology endocrine hormones CHEBI:24621 hormone endocrine ChEBI hormones ChEBI An imidazolidinone with oxo groups at position 2 and 4. chebi_ontology CHEBI:24628 imidazolidine-2,4-dione Hydrazine (diazane) and its substituted derivatives. hydrazines chebi_ontology CHEBI:24631 hydrazines hydrazines IUPAC A compound consisting of carbon and hydrogen only. hydrocarbon hydrocarbons chebi_ontology Kohlenwasserstoff Kohlenwasserstoffe hidrocarburo hidrocarburos hydrocarbure CHEBI:24632 hydrocarbon hydrocarbon IUPAC hydrocarbons IUPAC Kohlenwasserstoff ChEBI Kohlenwasserstoffe ChEBI hidrocarburo IUPAC hidrocarburos IUPAC hydrocarbure IUPAC Mono-hydroperoxy (e)icosatetraenoic acids (HPETEs) are the primary products of lipoxygenase-catalysed oxygenation of arachidonic acid. chebi_ontology HPETEs Mono-hydroperoxy icosatetraenoic acids CHEBI:24644 HPETE HPETEs ChEBI Mono-hydroperoxy icosatetraenoic acids ChEBI An oxoanion resulting from the removal of a proton from the hydroxy group of any hydroxamic acid. chebi_ontology hydroxamate hydroxamates hydroxamic acid anions hydroxamic anion hydroxamic anions CHEBI:24648 hydroxamic acid anion hydroxamate ChEBI hydroxamates ChEBI hydroxamic acid anions ChEBI hydroxamic anion ChEBI hydroxamic anions ChEBI A compound, RkE(=O)lNHOH, derived from an oxoacid RkE(=O)l(OH) (l =/= 0) by replacing -OH with -NHOH, and derivatives thereof. Specific examples of hydroxamic acids are preferably named as N-hydroxy amides. hydroxamic acids chebi_ontology N-hydroxy amide N-hydroxy amides N-hydroxy-amide N-hydroxy-amides N-hydroxyamide N-hydroxyamides hydroxamic acids CHEBI:24650 hydroxamic acid hydroxamic acids IUPAC N-hydroxy amide ChEBI N-hydroxy amides ChEBI N-hydroxy-amide ChEBI N-hydroxy-amides ChEBI N-hydroxyamide ChEBI N-hydroxyamides ChEBI hydroxamic acids ChEBI Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). chebi_ontology CHEBI:24651 hydroxides Any fatty acid carrying one or more hydroxy substituents. LIPID_MAPS_class:LMFA0105 PMID:18296335 PMID:6419288 PMID:8274032 chebi_ontology hydroxy fatty acids CHEBI:24654 hydroxy fatty acid LIPID_MAPS_class:LMFA0105 LIPID MAPS PMID:18296335 Europe PMC PMID:6419288 Europe PMC PMID:8274032 Europe PMC hydroxy fatty acids LIPID_MAPS A non-proteinogenic alpha-amino acid bearing one or more hydroxy groups at unspecified positions. chebi_ontology CHEBI:24662 hydroxy-amino acid Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position. chebi_ontology hydroxy-5beta-cholanic acids CHEBI:24663 hydroxy-5beta-cholanic acid hydroxy-5beta-cholanic acids ChEBI Any carboxylic acid with at least one hydroxy group. chebi_ontology hydroxy carboxylic acids hydroxycarboxylic acid hydroxycarboxylic acids CHEBI:24669 hydroxy carboxylic acid hydroxy carboxylic acids ChEBI hydroxycarboxylic acid ChEBI hydroxycarboxylic acids ChEBI Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent. chebi_ontology hydroxybenzoates CHEBI:24675 hydroxybenzoate hydroxybenzoates ChEBI Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring. 0 C7H6O3 138.121 138.03169 CHEBI:50778 hydroxybenzoic acid chebi_ontology hydroxybenzoic acids CHEBI:24676 hydroxybenzoic acid hydroxybenzoic acid IUPAC hydroxybenzoic acids ChEBI Any benzophenone into which is substituted one or more hydroxy groups. chebi_ontology CHEBI:24677 hydroxybenzophenone An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups. 0 C2H2O2R2 58.036 58.00548 C(C(=O)*)(O)([H])* Wikipedia:Acyloin chebi_ontology acyloin acyloins secondary alpha-hydroxy ketones secondary alpha-hydroxy-ketone secondary alpha-hydroxy-ketones secondary alpha-hydroxyketone secondary alpha-hydroxyketones CHEBI:2468 secondary alpha-hydroxy ketone acyloin ChEBI acyloins ChEBI secondary alpha-hydroxy ketones ChEBI secondary alpha-hydroxy-ketone ChEBI secondary alpha-hydroxy-ketones ChEBI secondary alpha-hydroxyketone ChEBI secondary alpha-hydroxyketones ChEBI chebi_ontology monohydroxycinnamic acids CHEBI:24688 monohydroxycinnamic acid monohydroxycinnamic acids ChEBI Any member of the class of cinnamic acids carrying one or more hydroxy substituents. chebi_ontology hydroxycinnamic acids CHEBI:24689 hydroxycinnamic acid hydroxycinnamic acids ChEBI A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents. hydroxyflavanone chebi_ontology hydroxyflavanones CHEBI:24697 hydroxyflavanone hydroxyflavanone Any flavone in which one or more ring hydrogens are replaced by hydroxy groups. chebi_ontology hydroxyflavones CHEBI:24698 hydroxyflavone hydroxyflavone Hydroxylamine, H2N-OH, and its hydrocarbyl derivatives. chebi_ontology CHEBI:24709 hydroxylamines Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. chebi_ontology CHEBI:24727 hydroxynaphthalene Any nitrile compound which also contains a hydroxy group. chebi_ontology CHEBI:24730 hydroxynitrile chebi_ontology CHEBI:24734 hydroxyphenylalanine Any member of the class of toluenes carrying one or more hydroxy substituents. hydroxytoluene chebi_ontology hydroxytoluenes CHEBI:24751 hydroxytoluene hydroxytoluene ChEBI hydroxytoluenes ChEBI A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. 0 ClHO InChI=1S/ClHO/c1-2/h2H QWPPOHNGKGFGJK-UHFFFAOYSA-N 52.46004 51.97159 OCl CAS:7790-92-3 Gmelin:688 PMID:11640916 PMID:12079432 PMID:12215218 PMID:15589368 PMID:7487057 PMID:8072005 chloranol hydroxidochlorine hypochlorous acid chebi_ontology Chlor(I)-saeure HClO HOCl [ClOH] hypochloric acid hypochlorige Saeure CHEBI:24757 hypochlorous acid CAS:7790-92-3 ChemIDplus CAS:7790-92-3 NIST Chemistry WebBook Gmelin:688 Gmelin PMID:11640916 Europe PMC PMID:12079432 Europe PMC PMID:12215218 Europe PMC PMID:15589368 Europe PMC PMID:7487057 Europe PMC PMID:8072005 Europe PMC chloranol IUPAC hydroxidochlorine IUPAC hypochlorous acid IUPAC hypochlorous acid UniProt Chlor(I)-saeure ChEBI HClO IUPAC HOCl IUPAC [ClOH] IUPAC hypochloric acid ChEBI hypochlorige Saeure ChEBI A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. chebi_ontology CHEBI:24780 imidazoles imide chebi_ontology imides CHEBI:24782 imide imide ChEBI imides ChEBI Compounds having the structure RN=CR2 (R = H, hydrocarbyl). Thus analogues of aldehydes or ketones, having NR doubly bonded to carbon; aldimines have the structure RCH=NR, ketimines have the structure R'2C=NR (where R' is not H). Imines include azomethines and Schiff bases. Imine is used as a suffix in systematic nomenclature to denote the C=NH group excluding the carbon atom. 0 CNR3 26.01740 26.00307 [*]\C([*])=N\[*] imine chebi_ontology imines CHEBI:24783 imine imine ChEBI imines ChEBI chebi_ontology CHEBI:24789 indanones An indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid. chebi_ontology CHEBI:24803 indole-3-acetic acids Any indolyl carboxylic acid carrying an indol-3-yl or substituted indol-3-yl group. chebi_ontology indol-3-yl carboxylic acids CHEBI:24810 indol-3-yl carboxylic acid indol-3-yl carboxylic acids ChEBI An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. 0 C9H9NO InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 IVYPNXXAYMYVSP-UHFFFAOYSA-N 147.17390 147.06841 OCc1c[nH]c2ccccc12 Beilstein:121323 CAS:700-06-1 Gmelin:1603301 HMDB:HMDB0005785 LINCS:LSM-2011 PMID:11755234 PMID:16634522 PMID:19064917 PMID:23800833 PMID:24200994 PMID:24357105 PMID:24488207 Reaxys:121323 Wikipedia:Indole-3-carbinol 1H-indol-3-ylmethanol indole-3-methanol chebi_ontology 3-hydroxymethylindole 3-indolylcarbinol indole-3-carbinol CHEBI:24814 indole-3-methanol Beilstein:121323 Beilstein CAS:700-06-1 ChemIDplus Gmelin:1603301 Gmelin PMID:11755234 Europe PMC PMID:16634522 Europe PMC PMID:19064917 Europe PMC PMID:23800833 Europe PMC PMID:24200994 Europe PMC PMID:24357105 Europe PMC PMID:24488207 Europe PMC Reaxys:121323 Reaxys 1H-indol-3-ylmethanol IUPAC indole-3-methanol ChemIDplus 3-hydroxymethylindole ChemIDplus 3-indolylcarbinol ChemIDplus indole-3-carbinol ChemIDplus Any compound containing an indole skeleton. chebi_ontology CHEBI:24828 indoles chebi_ontology CHEBI:24829 indolones A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). oxoacid oxoacids chebi_ontology oxacids oxiacids oxo acid oxy-acids oxyacids CHEBI:24833 oxoacid oxoacid IUPAC oxoacids IUPAC oxacids ChEBI oxiacids ChEBI oxo acid ChEBI oxy-acids ChEBI oxyacids ChEBI chebi_ontology inorganic anions CHEBI:24834 inorganic anion inorganic anions ChEBI A molecular entity that contains no carbon. chebi_ontology anorganische Verbindungen inorganic compounds inorganic entity inorganic molecular entities inorganics CHEBI:24835 inorganic molecular entity anorganische Verbindungen ChEBI inorganic compounds ChEBI inorganic entity ChEBI inorganic molecular entities ChEBI inorganics ChEBI chebi_ontology inorganic oxides CHEBI:24836 inorganic oxide inorganic oxides ChEBI Compounds of structure ROOR' in which R and R' are inorganic groups. inorganic peroxide chebi_ontology inorganic peroxides CHEBI:24837 inorganic peroxide inorganic peroxide ChEBI inorganic peroxides ChEBI Any phosphate that contains no carbon atom. inorganic phosphate chebi_ontology anorganisches Salz inorganic salts CHEBI:24839 inorganic salt anorganisches Salz ChEBI inorganic salts ChEBI chebi_ontology inorganic sulfate salts inorganic sulfates CHEBI:24840 inorganic sulfate salt Any cyclohexane-1,2,3,4,5,6-hexol. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N 180.15588 180.06339 OC1C(O)C(O)C(O)C(O)C1O inositol inositols chebi_ontology 1,2,3,4,5,6-cyclohexanehexol inositols CHEBI:24848 inositol inositol inositol IUBMB inositols IUPAC 1,2,3,4,5,6-cyclohexanehexol ChEBI inositols ChEBI A chemical that attracts insects. PMID:7044287 chebi_ontology insect attractants CHEBI:24850 insect attractant PMID:7044287 Europe PMC insect attractants ChEBI A growth regulator that inhibits the life cycle of an insect. chebi_ontology insect growth regulators CHEBI:24851 insect growth regulator insect growth regulators ChEBI Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Wikipedia:Insecticide chebi_ontology insecticides CHEBI:24852 insecticide insecticides ChEBI A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages. chebi_ontology agente intercalante intercalating agent intercalating agents intercalating ligands intercalators CHEBI:24853 intercalator agente intercalante ChEBI intercalating agent ChEBI intercalating agents ChEBI intercalating ligands ChEBI intercalators ChEBI Chemical element with atomic number 53. 0 I InChI=1S/I ZCYVEMRRCGMTRW-UHFFFAOYSA-N 126.90447 126.90447 [I] WebElements:I iodine chebi_ontology 53I I Iod J Jod iode iodine iodium yodo CHEBI:24859 iodine atom iodine IUPAC 53I IUPAC I ChEBI Iod ChEBI J ChEBI Jod ChEBI iode ChEBI iodine ChEBI iodium ChEBI yodo ChEBI iodine molecular entity chebi_ontology iodine compounds iodine molecular entities CHEBI:24860 iodine molecular entity iodine molecular entity ChEBI iodine compounds ChEBI iodine molecular entities ChEBI An amino acid containing at least one iodo substituent. chebi_ontology CHEBI:24862 iodoamino acid 0 C6H5IO 220.008 219.93851 iodophenol chebi_ontology CHEBI:24863 iodophenol iodophenol IUPAC An iodoamino acid in which the amino acid specified is thyronine. chebi_ontology iodothyronines CHEBI:24864 iodothyronine iodothyronines ChEBI A salt is an assembly of cations and anions. salt chebi_ontology Salz Salze ionic compound ionic compounds sal sales salts sel sels CHEBI:24866 salt salt salt IUPAC Salz ChEBI Salze ChEBI ionic compound ChEBI ionic compounds ChEBI sal ChEBI sales ChEBI salts ChEBI sel ChEBI sels ChEBI chebi_ontology monoatomic ions CHEBI:24867 monoatomic ion monoatomic ions ChEBI chebi_ontology organic salts organisches Salz CHEBI:24868 organic salt organic salts ChEBI organisches Salz ChEBI A compound which can carry specific ions through membranes of cells or organelles. Wikipedia:Ionophore ionophore chebi_ontology ionophores CHEBI:24869 ionophore ionophore IUPAC ionophores ChEBI A molecular entity having a net electric charge. Ion ion chebi_ontology Ionen iones ions CHEBI:24870 ion Ion ChEBI ion ChEBI ion IUPAC Ionen ChEBI iones ChEBI ions ChEBI iron molecular entity chebi_ontology iron compounds iron molecular entities CHEBI:24873 iron molecular entity iron molecular entity ChEBI iron compounds ChEBI iron molecular entities ChEBI Any ionophore capable of transportation of iron ions across membranes. chebi_ontology iron ionophores CHEBI:24874 iron ionophore iron ionophores ChEBI Fe 55.845 55.93494 iron cation chebi_ontology Fe cation iron cations CHEBI:24875 iron cation iron cation IUPAC Fe cation UniProt iron cations ChEBI chebi_ontology CHEBI:24897 isoindoles Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives. LIPID_MAPS_class:LMPR01 PMID:12769708 PMID:19219049 isoprenoid isoprenoids chebi_ontology isoprenoids CHEBI:24913 isoprenoid isoprenoid LIPID_MAPS_class:LMPR01 LIPID MAPS PMID:12769708 Europe PMC PMID:19219049 Europe PMC isoprenoid ChEBI isoprenoids IUPAC isoprenoids ChEBI Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine. chebi_ontology isoquinoline alkaloids CHEBI:24921 isoquinoline alkaloid isoquinoline alkaloids ChEBI 0 CHNS InChI=1S/CHNS/c2-1-3/h2H GRHBQAYDJPGGLF-UHFFFAOYSA-N 59.09138 58.98297 N=C=S Beilstein:1900391 CAS:3129-90-6 Gmelin:130289 azanediidosulfidocarbon imidosulfidocarbon isothiocyanic acid chebi_ontology HNCS Isothiocyansaeure Isothiozyansaeure [C(NH)S] CHEBI:24928 isothiocyanic acid Beilstein:1900391 Beilstein CAS:3129-90-6 ChemIDplus Gmelin:130289 Gmelin azanediidosulfidocarbon IUPAC imidosulfidocarbon IUPAC isothiocyanic acid IUPAC HNCS IUPAC Isothiocyansaeure ChEBI Isothiozyansaeure ChEBI [C(NH)S] IUPAC The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development. Wikipedia:Jasmonate chebi_ontology CHEBI:24937 jasmonates chebi_ontology CHEBI:24941 juvenile hormone antagonists chebi_ontology CHEBI:24942 juvenile hormone mimic Any compound that has an aldehydic and ketonic group in the same molecule. CHEBI:6124 KEGG:C01928 chebi_ontology ketoaldehydes CHEBI:24960 ketoaldehyde ketoaldehydes ChEBI ketoaldonate chebi_ontology ketoaldonates CHEBI:24961 ketoaldonate ketoaldonate ChEBI ketoaldonates ChEBI Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group. ketoaldonic acid chebi_ontology ketoaldonic acids CHEBI:24963 ketoaldonic acid ketoaldonic acid ChEBI ketoaldonic acids ChEBI Any hexose containing a single ketone group. ketohexose chebi_ontology ketohexoses CHEBI:24973 ketohexose ketohexose ketohexose ChEBI ketohexoses ChEBI Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals. CHEBI:6131 ketose chebi_ontology ketoses CHEBI:24978 ketose ketose ChEBI ketoses ChEBI Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactam lactams chebi_ontology Laktam Laktame lactams CHEBI:24995 lactam lactam IUPAC lactams IUPAC Laktam ChEBI Laktame ChEBI lactams ChEBI A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group. -1 C3H5O3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 JVTAAEKCZFNVCJ-UHFFFAOYSA-M 89.07000 89.02442 CC(O)C([O-])=O Beilstein:3587719 CAS:113-21-3 Gmelin:240074 KEGG:C01432 MetaCyc:Lactate 2-hydroxypropanoate lactate chebi_ontology 2-hydroxypropanoic acid, ion(1-) 2-hydroxypropionate MeCH(OH)CO2 anion b-lactate beta-lactate CHEBI:24996 lactate Beilstein:3587719 Beilstein CAS:113-21-3 ChemIDplus CAS:113-21-3 NIST Chemistry WebBook Gmelin:240074 Gmelin 2-hydroxypropanoate IUPAC lactate UniProt 2-hydroxypropanoic acid, ion(1-) ChemIDplus 2-hydroxypropionate ChemIDplus MeCH(OH)CO2 anion NIST_Chemistry_WebBook b-lactate ChEBI beta-lactate ChEBI Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactone lactones chebi_ontology Lacton Lakton Laktone lactona lactonas CHEBI:25000 lactone lactone IUPAC lactones IUPAC Lacton ChEBI Lakton ChEBI Laktone ChEBI lactona IUPAC lactonas IUPAC 0 Pb InChI=1S/Pb WABPQHHGFIMREM-UHFFFAOYSA-N 207.20000 207.97665 [Pb] KEGG:C06696 WebElements:Pb lead chebi_ontology 82Pb Blei Pb lead plomb plomo plumbum CHEBI:25016 lead atom lead IUPAC 82Pb IUPAC Blei ChEBI Pb IUPAC lead ChEBI plomb ChEBI plomo ChEBI plumbum IUPAC A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. 0 C6H13NO2 InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N 131.17296 131.09463 CC(C)CC(N)C(O)=O Beilstein:636005 CAS:328-39-2 Gmelin:50203 KEGG:C16439 LIPID_MAPS_instance:LMFA01100048 PMID:17439666 Reaxys:636005 Wikipedia:Leucine leucine chebi_ontology (+-)-Leucine (RS)-Leucine 2-amino-4-methylpentanoic acid DL-Leucine Hleu L Leu Leucin Leuzin CHEBI:25017 leucine leucine Beilstein:636005 Beilstein CAS:328-39-2 ChemIDplus CAS:328-39-2 NIST Chemistry WebBook Gmelin:50203 Gmelin LIPID_MAPS_instance:LMFA01100048 LIPID MAPS PMID:17439666 Europe PMC Reaxys:636005 Reaxys leucine IUPAC (+-)-Leucine ChemIDplus (RS)-Leucine ChemIDplus 2-amino-4-methylpentanoic acid IUPAC DL-Leucine ChemIDplus Hleu IUPAC L ChEBI Leu ChEBI Leucin ChEBI Leuzin ChEBI chebi_ontology CHEBI:25022 leucomycin Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an "e". CHEBI:25035 lignan chebi_ontology lignans CHEBI:25036 lignan lignan ChEBI lignans ChEBI A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. 0 C6H14N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N 146.18764 146.10553 NCCCCC(N)C(O)=O Beilstein:1616991 CAS:70-54-2 Gmelin:279284 KEGG:C16440 PMID:17439666 PMID:22264337 Reaxys:1616991 Wikipedia:Lysine 2,6-diaminohexanoic acid lysine chebi_ontology K LYS Lysin alpha,epsilon-diaminocaproic acid CHEBI:25094 lysine Beilstein:1616991 Beilstein CAS:70-54-2 ChemIDplus CAS:70-54-2 NIST Chemistry WebBook Gmelin:279284 Gmelin PMID:17439666 Europe PMC PMID:22264337 Europe PMC Reaxys:1616991 Reaxys 2,6-diaminohexanoic acid IUPAC lysine IUPAC K ChEBI LYS ChEBI Lysin ChEBI alpha,epsilon-diaminocaproic acid ChEBI A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity. chebi_ontology Makrolidantibiotika macrolide antibiotics CHEBI:25105 macrolide antibiotic Makrolidantibiotika ChEBI macrolide antibiotics ChEBI A macrocyclic lactone with a ring of twelve or more members derived from a polyketide. Wikipedia:Macrolide macrolide macrolides chebi_ontology Makrolid macrolides CHEBI:25106 macrolide macrolide ChEBI macrolides IUPAC Makrolid ChEBI macrolides ChEBI 0 Mg InChI=1S/Mg FYYHWMGAXLPEAU-UHFFFAOYSA-N 24.30500 23.98504 [Mg] CAS:7439-95-4 DrugBank:DB01378 Gmelin:16207 KEGG:C00305 WebElements:Mg magnesium chebi_ontology 12Mg Magnesium Mg magnesio magnesium CHEBI:25107 magnesium atom CAS:7439-95-4 ChemIDplus Gmelin:16207 Gmelin magnesium IUPAC 12Mg IUPAC Magnesium ChEBI Mg IUPAC Mg UniProt magnesio ChEBI magnesium ChEBI magnesium molecular entity chebi_ontology magnesium compounds magnesium molecular entities CHEBI:25108 magnesium molecular entity magnesium molecular entity ChEBI magnesium compounds ChEBI magnesium molecular entities ChEBI manganese molecular entity chebi_ontology manganese compounds manganese molecular entities CHEBI:25154 manganese molecular entity manganese molecular entity ChEBI manganese compounds ChEBI manganese molecular entities ChEBI Mn 54.938 54.93805 manganese cation chebi_ontology manganese cations CHEBI:25155 manganese cation manganese cation IUPAC manganese cations ChEBI A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group. 0 C4H10O2S2 InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2 VHJLVAABSRFDPM-UHFFFAOYSA-N 154.25300 154.01222 OC(CS)C(O)CS Beilstein:8141671 CAS:7634-42-6 1,4-dimercaptobutane-2,3-diol 1,4-disulfanylbutane-2,3-diol chebi_ontology 1,4-dimercapto-2,3-butanediol CHEBI:25189 1,4-dimercaptobutane-2,3-diol Beilstein:8141671 Beilstein CAS:7634-42-6 ChemIDplus 1,4-dimercaptobutane-2,3-diol ChemIDplus 1,4-disulfanylbutane-2,3-diol IUPAC 1,4-dimercapto-2,3-butanediol ChemIDplus 0 Hg InChI=1S/Hg QSHDDOUJBYECFT-UHFFFAOYSA-N 200.59000 201.97064 [Hg] CAS:7439-97-6 WebElements:Hg mercury chebi_ontology 80Hg Hg Quecksilber azogue hydrargyrum liquid silver mercure mercurio mercury quicksilver CHEBI:25195 mercury atom CAS:7439-97-6 ChemIDplus mercury IUPAC 80Hg IUPAC Hg IUPAC Quecksilber ChemIDplus azogue ChEBI hydrargyrum IUPAC liquid silver ChemIDplus mercure ChemIDplus mercurio ChEBI mercury ChEBI quicksilver ChemIDplus chebi_ontology mercury compounds mercury molecular entities CHEBI:25196 mercury molecular entity mercury compounds ChEBI mercury molecular entities ChEBI chebi_ontology mercury cations CHEBI:25197 mercury cation mercury cations ChEBI Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. CHEBI:26619 CHEBI:35220 metabolite chebi_ontology metabolites primary metabolites secondary metabolites CHEBI:25212 metabolite metabolite IUPAC metabolites ChEBI primary metabolites ChEBI secondary metabolites ChEBI chebi_ontology a metal cation metal cations CHEBI:25213 metal cation a metal cation UniProt metal cations ChEBI A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of methacrylic acid. -1 C4H5O2 InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/p-1 CERQOIWHTDAKMF-UHFFFAOYSA-M 85.08130 85.02950 CC(=C)C([O-])=O Beilstein:3587577 CAS:18358-13-9 Gmelin:324367 Reaxys:3587577 UM-BBD_compID:c0520 2-methylprop-2-enoate methacrylate chebi_ontology 2-methyl-2-propenoate 2-methyl-2-propenoic acid, ion(1-) methacrylate anion methacrylate(1-) CHEBI:25218 methacrylate Beilstein:3587577 Beilstein CAS:18358-13-9 ChemIDplus Gmelin:324367 Gmelin Reaxys:3587577 Reaxys UM-BBD_compID:c0520 UM-BBD 2-methylprop-2-enoate IUPAC methacrylate UM-BBD 2-methyl-2-propenoate ChemIDplus 2-methyl-2-propenoic acid, ion(1-) ChemIDplus methacrylate anion ChEBI methacrylate(1-) ChEBI An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group. 0 C4H6O2 InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6) CERQOIWHTDAKMF-UHFFFAOYSA-N 86.08924 86.03678 CC(=C)C(O)=O Beilstein:1719937 CAS:79-41-4 Gmelin:49631 PMID:24227222 PMID:24398912 Reaxys:1719937 Wikipedia:Methacrylic_acid 2-methylprop-2-enoic acid methacrylic acid chebi_ontology 2-Methylpropensaeure 2-methyl-2-propenoic acid 2-methylacrylic acid 2-methylenepropionic acid 2-methylpropenoic acid Methacrylsaeure Methakrylsaeure alpha-methacrylic acid alpha-methylacrylic acid methylacrylic acid CHEBI:25219 methacrylic acid Beilstein:1719937 ChemIDplus CAS:79-41-4 ChemIDplus CAS:79-41-4 NIST Chemistry WebBook Gmelin:49631 Gmelin PMID:24227222 Europe PMC PMID:24398912 Europe PMC Reaxys:1719937 Reaxys 2-methylprop-2-enoic acid IUPAC methacrylic acid ChemIDplus 2-Methylpropensaeure ChEBI 2-methyl-2-propenoic acid NIST_Chemistry_WebBook 2-methylacrylic acid ChemIDplus 2-methylenepropionic acid ChemIDplus 2-methylpropenoic acid NIST_Chemistry_WebBook Methacrylsaeure ChEBI Methakrylsaeure ChEBI alpha-methacrylic acid NIST_Chemistry_WebBook alpha-methylacrylic acid NIST_Chemistry_WebBook methylacrylic acid NIST_Chemistry_WebBook A diol that is methane in which two of the hydrogens have been replaced by hydroxy groups respectively. chebi_ontology CHEBI:25222 methanediols An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol. 0 CH3O3SR 95.099 94.98029 CS(O*)(=O)=O chebi_ontology mesylate ester mesylate esters methanesulfonic acid esters CHEBI:25223 methanesulfonate ester mesylate ester ChEBI mesylate esters ChEBI methanesulfonic acid esters ChEBI A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid. -1 CH3O3S InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1 AFVFQIVMOAPDHO-UHFFFAOYSA-M 95.09872 94.98084 CS([O-])(=O)=O MetaCyc:CPD-3746 UM-BBD_compID:c0347 methanesulfonate chebi_ontology methylsulfonate CHEBI:25224 methanesulfonate UM-BBD_compID:c0347 UM-BBD methanesulfonate IUPAC methanesulfonate UniProt methylsulfonate UM-BBD Compounds containing a benzene skeleton substituted with one methoxy group. chebi_ontology monomethoxybenzenes CHEBI:25235 monomethoxybenzene monomethoxybenzenes ChEBI chebi_ontology methoxybenzoates CHEBI:25236 methoxybenzoate methoxybenzoates ChEBI Any benzoic acid carrying one or more methoxy substituents. chebi_ontology methoxybenzoic acids CHEBI:25238 methoxybenzoic acid methoxybenzoic acids ChEBI Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol. 0 C2H3O2R 59.044 59.01330 COC([*])=O chebi_ontology carboxylic acid methyl ester carboxylic acid methyl esters CHEBI:25248 methyl ester carboxylic acid methyl ester ChEBI carboxylic acid methyl esters ChEBI A haloalkane that is methane in which one of the hydrogens is substituted by a halide atom. PMID:19378995 chebi_ontology CHEBI:25253 methyl halides PMID:19378995 Europe PMC A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol. 0 C2H6O3S InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3 MBABOKRGFJTBAE-UHFFFAOYSA-N 110.13200 110.00377 COS(C)(=O)=O CAS:66-27-3 KEGG:C19181 MetaCyc:CPD-7038 PMID:11016630 PMID:14761437 PMID:16764919 PMID:21353429 PMID:21860482 PMID:22907509 PMID:23117069 PMID:23384783 PMID:23483329 Reaxys:1098586 Wikipedia:Methyl_methanesulfonate methyl methanesulfonate chebi_ontology CB1540 MMS Methanesulfonic acid methyl ester Methyl mesylate as-Dimethyl sulfite CHEBI:25255 methyl methanesulfonate CAS:66-27-3 ChemIDplus CAS:66-27-3 KEGG COMPOUND PMID:11016630 Europe PMC PMID:14761437 Europe PMC PMID:16764919 Europe PMC PMID:21353429 Europe PMC PMID:21860482 Europe PMC PMID:22907509 Europe PMC PMID:23117069 Europe PMC PMID:23384783 Europe PMC PMID:23483329 Europe PMC Reaxys:1098586 Reaxys methyl methanesulfonate IUPAC CB1540 ChEBI MMS ChemIDplus MMS KEGG_COMPOUND Methanesulfonic acid methyl ester ChemIDplus Methyl mesylate ChemIDplus as-Dimethyl sulfite ChemIDplus chebi_ontology methylated amines CHEBI:25274 methylamines methylated amines ChEBI A substituted aniline carrying one or more methyl groups at unspecified positions. chebi_ontology methylanilines CHEBI:25275 methylaniline methylanilines ChEBI chebi_ontology methylbenzoic acids CHEBI:25280 methylbenzoic acid methylbenzoic acids ChEBI An alkylmercury compound in which the alkyl group specified is methyl. chebi_ontology methylmercury compounds CHEBI:25322 methylmercury compound methylmercury compound methylmercury compounds ChEBI An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom. 0 C14H20ClNO2 InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 XCSGPAVHZFQHGE-UHFFFAOYSA-N 269.76700 269.11826 CCc1cccc(CC)c1N(COC)C(=O)CCl Beilstein:2944476 CAS:15972-60-8 HMDB:HMDB0031766 KEGG:C10928 LINCS:LSM-19972 PMID:11807927 PMID:23599414 PPDB:17 Pesticides:alachlor Reaxys:2944476 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Alachlor alachlor chebi_ontology 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide Alachlore Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid CHEBI:2533 alachlor Beilstein:2944476 Beilstein CAS:15972-60-8 ChemIDplus CAS:15972-60-8 KEGG COMPOUND CAS:15972-60-8 NIST Chemistry WebBook PMID:11807927 Europe PMC PMID:23599414 Europe PMC Pesticides:alachlor Alan Wood's Pesticides Reaxys:2944476 Reaxys 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide IUPAC Alachlor KEGG_COMPOUND alachlor UniProt 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide ChemIDplus Alachlore ChemIDplus Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid ChemIDplus Any member of the class of pyridines that carries at least one methyl substituent. chebi_ontology CHEBI:25340 methylpyridines A group of heterocyclic compounds based on the N-methylated 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units. chebi_ontology methyltetrahydrofolates CHEBI:25345 methyltetrahydrofolate methyltetrahydrofolates ChEBI chebi_ontology methylxanthines CHEBI:25348 methylxanthine methylxanthines ChEBI Mineralocorticoids are a class of steroid hormones that regulate water and electrolyte metabolism. chebi_ontology mineralocorticoids CHEBI:25354 mineralocorticoid mineralocorticoids ChEBI chebi_ontology mitochondrial electron transport chain inhibitors mitochondrial electron-transport chain inhibitor mitochondrial respiratory chain inhibitors CHEBI:25355 mitochondrial respiratory-chain inhibitor mitochondrial electron transport chain inhibitors ChEBI mitochondrial electron-transport chain inhibitor ChEBI mitochondrial respiratory chain inhibitors ChEBI A molecule all atoms of which have the same atomic number. chebi_ontology homoatomic molecule homoatomic molecules CHEBI:25362 elemental molecule homoatomic molecule ChEBI homoatomic molecules ChEBI Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. molecule chebi_ontology Molekuel molecula molecules neutral molecular compounds CHEBI:25367 molecule molecule IUPAC Molekuel ChEBI molecula IUPAC molecules IUPAC neutral molecular compounds IUPAC chebi_ontology molybdenum compounds molybdenum molecular entities CHEBI:25370 molybdenum molecular entity molybdenum compounds ChEBI molybdenum molecular entities ChEBI A group of neurotransmitters and neuromodulators that contain one amino group that is connected to an aromatic ring by ethylene group (-CH2-CH2-). Monoamines are derived from the aromatic amino acids phenylalanine, tyrosine, histidine and tryptophan. chebi_ontology monamines monoamines CHEBI:25375 monoamine molecular messenger monamines ChEBI monoamines ChEBI chebi_ontology monoalkyl phosphates CHEBI:25381 monoalkyl phosphate monoalkyl phosphates ChEBI An oxoacid containing a single carboxy group. chebi_ontology monocarboxylic acids CHEBI:25384 monocarboxylic acid monocarboxylic acids ChEBI A hydroxybenzoate carrying a single hydroxy substituent at unspecified position. chebi_ontology monohydroxybenzoates CHEBI:25388 monohydroxybenzoate monohydroxybenzoates ChEBI Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring. chebi_ontology monohydroxybenzoic acids CHEBI:25389 monohydroxybenzoic acid monohydroxybenzoic acids ChEBI Any hydroxynaphthalene derivative that has a single hydroxy substituent. chebi_ontology CHEBI:25392 naphthols A hydroxytoluene that consists of toluene carrying a single hydroxy substituent at any position. A 'closed class'. 0 C7H8O 108.138 108.05751 CAS:1319-77-3 Pesticides:cresol Wikipedia:Cresol cresol methylphenol chebi_ontology Hydroxytoluole Kresol Kresole acide cresylique cresols cresylic acid hydroxymethylbenzene hydroxytoluene mixed cresols CHEBI:25399 cresol CAS:1319-77-3 ChemIDplus Pesticides:cresol Alan Wood's Pesticides cresol ChEBI methylphenol IUPAC Hydroxytoluole ChemIDplus Kresol ChEBI Kresole ChemIDplus acide cresylique ChEBI cresols ChemIDplus cresylic acid ChemIDplus hydroxymethylbenzene ChemIDplus hydroxytoluene ChEBI mixed cresols ChemIDplus A terpene ketone derived from a monoterpene. chebi_ontology monoterpene ketones CHEBI:25408 monoterpene ketone monoterpene ketones ChEBI Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0102 chebi_ontology monoterpenoids CHEBI:25409 monoterpenoid LIPID_MAPS_class:LMPR0102 LIPID MAPS monoterpenoids ChEBI Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment. PMID:10584045 PMID:12936956 chebi_ontology MUFA MUFAs monounsaturated fatty acids CHEBI:25413 monounsaturated fatty acid monounsaturated fatty acid PMID:10584045 Europe PMC PMID:12936956 Europe PMC MUFA ChEBI MUFAs ChEBI monounsaturated fatty acids ChEBI +1 0.00000 [*+] chebi_ontology monoatomic monocations monovalent inorganic cations CHEBI:25414 monoatomic monocation monoatomic monocations ChEBI monovalent inorganic cations ChEBI An isoquinoline alkaloid based on a morphinan skeleton and its substituted derivatives. chebi_ontology morphinane alkaloids CHEBI:25418 morphinane alkaloid morphinane alkaloids ChEBI chebi_ontology monoatomic polycations multivalent inorganic cations CHEBI:25430 monoatomic polycation monoatomic polycations ChEBI multivalent inorganic cations ChEBI An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention. 0 C4H8Cl2S InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2 QKSKPIVNLNLAAV-UHFFFAOYSA-N 159.07772 157.97238 ClCCSCCCl Beilstein:1733595 CAS:505-60-2 Gmelin:324535 KEGG:C19164 PMID:15908294 PMID:19559099 PMID:23091586 PMID:24467472 PMID:24641121 PMID:24791566 PMID:24801489 Wikipedia:Sulfur_mustard 1-chloro-2-[(2-chloroethyl)sulfanyl]ethane bis(2-chloroethyl) sulfide chebi_ontology 1,1'-thiobis(2-chloroethane) 1-chloro-2-[(2-chloroethyl)thio]ethane Iprit Lost Mustard gas Senfgas Yperite bis(2-chloroethyl) sulphide bis(2-chloroethyl)sulfane mustard gas sulfur mustard CHEBI:25434 bis(2-chloroethyl) sulfide Beilstein:1733595 ChemIDplus CAS:505-60-2 ChemIDplus CAS:505-60-2 KEGG COMPOUND CAS:505-60-2 NIST Chemistry WebBook Gmelin:324535 Gmelin PMID:15908294 Europe PMC PMID:19559099 Europe PMC PMID:23091586 Europe PMC PMID:24467472 Europe PMC PMID:24641121 Europe PMC PMID:24791566 Europe PMC PMID:24801489 Europe PMC 1-chloro-2-[(2-chloroethyl)sulfanyl]ethane IUPAC bis(2-chloroethyl) sulfide ChemIDplus 1,1'-thiobis(2-chloroethane) NIST_Chemistry_WebBook 1-chloro-2-[(2-chloroethyl)thio]ethane IUPAC Iprit KEGG_COMPOUND Lost NIST_Chemistry_WebBook Mustard gas KEGG_COMPOUND Senfgas NIST_Chemistry_WebBook Yperite NIST_Chemistry_WebBook bis(2-chloroethyl) sulphide NIST_Chemistry_WebBook bis(2-chloroethyl)sulfane IUPAC mustard gas ChemIDplus sulfur mustard ChemIDplus An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. Wikipedia:Mutagen chebi_ontology mutagene mutagenes mutagenic agent mutageno mutagenos mutagens CHEBI:25435 mutagen mutagene ChEBI mutagenes ChEBI mutagenic agent ChEBI mutageno ChEBI mutagenos ChEBI mutagens ChEBI Poisonous substance produced by fungi. chebi_ontology fungal toxins mycotoxins CHEBI:25442 mycotoxin fungal toxins ChEBI mycotoxins ChEBI A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. 0 C20H16 InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3 ARSRBNBHOADGJU-UHFFFAOYSA-N 256.34100 256.12520 Cc1c2ccccc2c(C)c2c1ccc1ccccc21 CHEBI:59032 Beilstein:1912135 CAS:57-97-6 Gmelin:263937 KEGG:C19488 LINCS:LSM-37159 PMID:11488430 PMID:12839762 PMID:16020197 PMID:18992763 PMID:7561049 7,12-dimethylbenzo[a]anthracene chebi_ontology 1,4-Dimethyl-2,3-benzphenanthrene 6,7-Dimethyl-1,2-benzanthracene 7,12-DMBA 7,12-Dimethyl-1,2-benzanthracene 7,12-Dimethyl-1:2-benz(a)anthracene 7,12-Dimethylbenz(a)anthracene 7,12-Dimethylbenzanthracene 7,12-Dimethylbenzanthrancene 7,12-dimethylbenzo[a]anthracene 9,10-Dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthrazen 9,10-Dimethylbenz(a)anthracene DMBA CHEBI:254496 7,12-dimethyltetraphene Beilstein:1912135 Beilstein CAS:57-97-6 ChemIDplus CAS:57-97-6 KEGG COMPOUND CAS:57-97-6 NIST Chemistry WebBook Gmelin:263937 Gmelin PMID:11488430 Europe PMC PMID:12839762 Europe PMC PMID:16020197 Europe PMC PMID:18992763 Europe PMC PMID:7561049 Europe PMC 7,12-dimethylbenzo[a]anthracene IUPAC 1,4-Dimethyl-2,3-benzphenanthrene NIST_Chemistry_WebBook 6,7-Dimethyl-1,2-benzanthracene ChemIDplus 7,12-DMBA NIST_Chemistry_WebBook 7,12-Dimethyl-1,2-benzanthracene ChemIDplus 7,12-Dimethyl-1:2-benz(a)anthracene ChemIDplus 7,12-Dimethylbenz(a)anthracene ChemIDplus 7,12-Dimethylbenzanthracene ChemIDplus 7,12-Dimethylbenzanthrancene ChemIDplus 7,12-dimethylbenzo[a]anthracene ChEBI 9,10-Dimethyl-1,2-benzanthracene ChemIDplus 9,10-Dimethyl-1,2-benzanthrazen ChemIDplus 9,10-Dimethylbenz(a)anthracene NIST_Chemistry_WebBook DMBA ChEBI DMBA KEGG_COMPOUND Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings. chebi_ontology CHEBI:25477 naphthalenes A polycyclic aromatic ketone metabolite of naphthalene. chebi_ontology naphthoquinones CHEBI:25481 naphthoquinone naphthoquinones ChEBI A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). 0 C13H21NO3 InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N 239.31070 239.15214 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 CAS:18559-94-9 DrugBank:DB01001 Drug_Central:105 HMDB:HMDB0001937 KEGG:D02147 LINCS:LSM-5178 PMID:8267204 PMID:9847435 Reaxys:2213614 Wikipedia:Albuterol 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol Albuterol chebi_ontology Proventil Salbutamol CHEBI:2549 albuterol CAS:18559-94-9 ChemIDplus CAS:18559-94-9 KEGG DRUG Drug_Central:105 DrugCentral PMID:8267204 Europe PMC PMID:9847435 Europe PMC Reaxys:2213614 Reaxys 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol IUPAC Albuterol KEGG_DRUG Proventil KEGG_DRUG Salbutamol ChemIDplus A substance used to destroy pests of the phylum Nematoda (roundworms). Wikipedia:Nematicide chebi_ontology nematicides nematocide nematocides CHEBI:25491 nematicide nematicides ChEBI nematocide ChEBI nematocides ChEBI A glycoside containing alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue as the sugar unit. neohesperidoside chebi_ontology neohesperidosides CHEBI:25495 neohesperidoside neohesperidoside ChEBI neohesperidosides ChEBI An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. Wikipedia:Neurotransmitter chebi_ontology neurotransmitters CHEBI:25512 neurotransmitter neurotransmitters ChEBI Ni 58.693 57.93534 nickel cation chebi_ontology Ni cation nickel cations CHEBI:25516 nickel cation nickel cation IUPAC Ni cation UniProt nickel cations ChEBI A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group. chebi_ontology pyridinecarboxamides CHEBI:25529 pyridinecarboxamide pyridinecarboxamides ChEBI A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor. CHEBI:25498 Wikipedia:Neonicotinoid chebi_ontology neonicotinoid insectides nicotinoid insectide nicotinoid insectides CHEBI:25540 neonicotinoid insectide neonicotinoid insectides ChEBI nicotinoid insectide ChEBI nicotinoid insectides ChEBI Amines substituted at N with a nitro group (a contracted form of N-nitroamines); they are thus amides of nitric acid, and the class is composed of nitramide, O2NNH2, and its derivatives formed by substitution. nitramines chebi_ontology N-nitroamines nitramines CHEBI:25543 nitramine nitramines IUPAC N-nitroamines IUPAC nitramines ChEBI A tricarboxylic acid trianion resulting from the deprotonation of all three hydroxy groups of nitrilotriacetic acid. -3 C6H6NO6 InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-3 MGFYIUFZLHCRTH-UHFFFAOYSA-K 188.11498 188.02116 [O-]C(=O)CN(CC([O-])=O)CC([O-])=O Beilstein:3550639 CAS:28528-44-1 Gmelin:50722 UM-BBD_compID:c0557 2,2',2''-nitrilotriacetate chebi_ontology nitrilotriacetate nitrilotriacetic acid ion(3-) nta(3-) CHEBI:25548 nitrilotriacetate(3-) Beilstein:3550639 Beilstein CAS:28528-44-1 ChemIDplus Gmelin:50722 Gmelin UM-BBD_compID:c0557 UM-BBD 2,2',2''-nitrilotriacetate IUPAC nitrilotriacetate UM-BBD nitrilotriacetate UniProt nitrilotriacetic acid ion(3-) ChemIDplus nta(3-) IUPAC nitrites The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active. 0 C7H14N2O2S InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) QGLZXHRNAYXIBU-UHFFFAOYSA-N 190.26300 190.07760 [H]C(=NOC(=O)NC)C(C)(C)SC Beilstein:2046931 CAS:116-06-3 KEGG:C11015 LINCS:LSM-20978 PPDB:19 Patent:US3217037 2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine Aldicarb aldicarb chebi_ontology 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime 2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim aldicarbe CHEBI:2555 aldicarb Beilstein:2046931 Beilstein CAS:116-06-3 ChemIDplus CAS:116-06-3 KEGG COMPOUND CAS:116-06-3 NIST Chemistry WebBook 2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine IUPAC Aldicarb KEGG_COMPOUND aldicarb UniProt 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime ChemIDplus 2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime ChemIDplus 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim COMe 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim ChemIDplus aldicarbe ChemIDplus A substituted aniline that carries one or more nitro groups. chebi_ontology nitroanilines CHEBI:25550 nitroaniline nitroanilines ChEBI 0 N 14.007 14.00307 WebElements:N nitrogen chebi_ontology 7N N Stickstoff azote nitrogen nitrogeno CHEBI:25555 nitrogen atom nitrogen IUPAC 7N IUPAC N IUPAC Stickstoff ChEBI azote IUPAC nitrogen ChEBI nitrogeno ChEBI chebi_ontology organonitrogen heterocyclic antibiotics CHEBI:25558 organonitrogen heterocyclic antibiotic organonitrogen heterocyclic antibiotics ChEBI A nitrate ester that is glycerol in which nitro group(s) replace the hydrogen(s) attached to one or more of the hydroxy groups. chebi_ontology nitroglycerols CHEBI:25560 nitroglycerol nitroglycerols ChEBI Any member of the class of phenols or substituted phenols carrying at least 1 nitro group. chebi_ontology nitrophenols CHEBI:25562 nitrophenol nitrophenols ChEBI Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring. chebi_ontology CHEBI:25566 nitrotoluene 0 HNO2 InChI=1S/HNO2/c2-1-3/h(H,2,3) IOVCWXUNBOPUCH-UHFFFAOYSA-N 47.01348 47.00073 [H]ON=O CAS:7782-77-6 Gmelin:983 KEGG:C00088 PDBeChem:NO2 dioxonitric acid hydrogen dioxonitrate(1-) hydroxidooxidonitrogen nitrous acid chebi_ontology HNO2 [NO(OH)] nitrosyl hydroxide CHEBI:25567 nitrous acid CAS:7782-77-6 ChemIDplus CAS:7782-77-6 NIST Chemistry WebBook Gmelin:983 Gmelin dioxonitric acid IUPAC hydrogen dioxonitrate(1-) IUPAC hydroxidooxidonitrogen IUPAC nitrous acid IUPAC HNO2 IUPAC [NO(OH)] IUPAC nitrosyl hydroxide NIST_Chemistry_WebBook nonmetal chebi_ontology Nichtmetall Nichtmetalle no metal no metales non-metal non-metaux nonmetal nonmetals CHEBI:25585 nonmetal atom nonmetal IUPAC Nichtmetall ChEBI Nichtmetalle ChEBI no metal ChEBI no metales ChEBI non-metal ChEBI non-metaux ChEBI nonmetal ChEBI nonmetals ChEBI chebi_ontology CHEBI:25605 nucleoside antibiotic A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates. KEGG:C01329 chebi_ontology NMP Nucleoside monophosphate nucleoside phosphates CHEBI:25608 nucleoside phosphate NMP KEGG_COMPOUND Nucleoside monophosphate KEGG_COMPOUND nucleoside phosphates ChEBI A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3. -1 C18H31O2 279.4393 279.23241 [O-]C([*])=O octadecadienoate chebi_ontology CHEBI:25626 octadecadienoate octadecadienoate IUPAC Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds. 0 C18H32O2 280.446 280.24023 CAS:26764-25-0 PMID:6794350 octadecadienoic acid chebi_ontology 18:2 C18:2 FA (18:2) CHEBI:25627 octadecadienoic acid CAS:26764-25-0 ChemIDplus PMID:6794350 Europe PMC octadecadienoic acid IUPAC 18:2 ChEBI C18:2 ChEBI FA (18:2) ChEBI Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain. 0 C18H34O2 282.462 282.25588 PMID:18832207 PMID:19106329 PMID:7276754 octadecenoic acid chebi_ontology CHEBI:25634 octadecenoic acid PMID:18832207 Europe PMC PMID:19106329 Europe PMC PMID:7276754 Europe PMC octadecenoic acid IUPAC An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. 0 C12H8Cl6 InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- QBYJBZPUGVGKQQ-SJJAEHHWSA-N 364.91000 361.87572 ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl CAS:309-00-2 KEGG:C07552 PMID:18427830 PMID:21724225 PMID:26449612 PMID:28101603 PMID:28393264 PPDB:21 Patent:US2635977 Patent:US2911447 Pesticides:aldrin Reaxys:2336652 Wikipedia:Aldrin (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene chebi_ontology (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene Compound 118 HHDN aldrine CHEBI:2564 aldrin CAS:309-00-2 Alan Wood's Pesticides CAS:309-00-2 ChemIDplus CAS:309-00-2 KEGG COMPOUND CAS:309-00-2 NIST Chemistry WebBook PMID:18427830 Europe PMC PMID:21724225 Europe PMC PMID:26449612 Europe PMC PMID:28101603 Europe PMC PMID:28393264 Europe PMC Pesticides:aldrin Alan Wood's Pesticides Reaxys:2336652 Reaxys (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene IUPAC (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene ChemIDplus 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene NIST_Chemistry_WebBook 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene NIST_Chemistry_WebBook Compound 118 ChemIDplus HHDN ChemIDplus aldrine ChemIDplus A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. -1 C8H15O2 InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1 WWZKQHOCKIZLMA-UHFFFAOYSA-M 143.204 143.10775 C(CCCCCC)C(=O)[O-] Beilstein:3588079 CAS:74-81-7 Gmelin:329219 PMID:11983812 Reaxys:3588079 UM-BBD_compID:c0047 octanoate chebi_ontology 1-heptanecarboxylate CH3-[CH2]6-COO(-) caprilate caprylate n-caprylate n-octanoate n-octoate n-octylate octanoic acid, ion(1-) octylate CHEBI:25646 octanoate Beilstein:3588079 Beilstein CAS:74-81-7 ChemIDplus Gmelin:329219 Gmelin PMID:11983812 Europe PMC Reaxys:3588079 Reaxys UM-BBD_compID:c0047 UM-BBD octanoate ChemIDplus octanoate IUPAC octanoate UniProt 1-heptanecarboxylate ChEBI CH3-[CH2]6-COO(-) ChEBI caprilate ChEBI caprylate ChEBI n-caprylate ChEBI n-octanoate ChEBI n-octoate ChEBI n-octylate ChEBI octanoic acid, ion(1-) ChemIDplus octylate ChEBI A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. 0 C4H13NO7P2 InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) OGSPWJRAVKPPFI-UHFFFAOYSA-N 249.09600 249.01673 NCCCC(O)(P(O)(O)=O)P(O)(O)=O Beilstein:2275403 CAS:66376-36-1 DrugBank:DB00630 Drug_Central:112 HMDB:HMDB0001915 KEGG:C07752 KEGG:D07119 LINCS:LSM-5831 MetaCyc:ALENDRONATE PDBeChem:AHD PMID:12657258 PMID:16626694 PMID:19630066 PMID:24676887 PMID:25315260 PMID:25442070 PMID:25445446 PMID:25461393 PMID:25577217 PMID:25592133 PMID:25595570 PMID:25603732 PMID:25619515 PMID:25636638 PMID:25639838 Patent:BE903519 Patent:US4705651 Reaxys:2275403 Wikipedia:Alendronic_acid (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid) Alendronic acid chebi_ontology (4-Amino-1-hydroxybutylidene)bisphosphonic acid Alendronate acide alendronique acido alendronico acidum alendronicum alendronic acid CHEBI:2567 alendronic acid Beilstein:2275403 Beilstein CAS:66376-36-1 ChemIDplus Drug_Central:112 DrugCentral PMID:12657258 ChEMBL PMID:16626694 Europe PMC PMID:19630066 Europe PMC PMID:24676887 Europe PMC PMID:25315260 Europe PMC PMID:25442070 Europe PMC PMID:25445446 Europe PMC PMID:25461393 Europe PMC PMID:25577217 Europe PMC PMID:25592133 Europe PMC PMID:25595570 Europe PMC PMID:25603732 Europe PMC PMID:25619515 Europe PMC PMID:25636638 Europe PMC PMID:25639838 Europe PMC Reaxys:2275403 Reaxys (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid) IUPAC Alendronic acid KEGG_COMPOUND (4-Amino-1-hydroxybutylidene)bisphosphonic acid KEGG_COMPOUND Alendronate KEGG_COMPOUND acide alendronique ChemIDplus acido alendronico ChemIDplus acidum alendronicum ChemIDplus alendronic acid ChemIDplus A peptide containing a relatively small number of amino acids. CHEBI:7755 Wikipedia:Oligopeptide oligopeptides chebi_ontology Oligopeptid oligopeptido CHEBI:25676 oligopeptide oligopeptides IUPAC Oligopeptid ChEBI oligopeptido ChEBI A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid. PMID:15129302 PMID:15253883 PMID:15555528 PMID:16741195 PMID:19154523 PMID:19439966 PMID:21975796 PMID:23643471 PMID:24012777 PMID:24122252 PMID:24128563 PMID:24172034 PMID:24211484 PMID:24240437 PMID:24246761 PMID:24281905 PMID:24397938 PMID:24401220 PMID:24418228 Wikipedia:Omega-3_fatty_acid omega-3 fatty acid omega-3-fatty acid chebi_ontology n-3 fatty acid n-3 fatty acids omega-3 fatty acids CHEBI:25681 omega-3 fatty acid ω−3 fatty acid chebi_ontology organic heteromonocyclic compounds CHEBI:25693 organic heteromonocyclic compound organic heteromonocyclic compounds ChEBI Any organic ion with a net negative charge. chebi_ontology organic anions CHEBI:25696 organic anion organic anions ChEBI Any organic ion with a net positive charge. chebi_ontology organic cations CHEBI:25697 organic cation organic cations ChEBI An organooxygen compound with formula ROR, where R is not hydrogen. 0 OR2 15.99940 15.99491 [*]O[*] ether ethers chebi_ontology ethers CHEBI:25698 ether ether IUPAC ethers IUPAC ethers ChEBI chebi_ontology organic ions CHEBI:25699 organic ion organic ions ChEBI An oxide in which the oxygen atom is bonded to a carbon atom. chebi_ontology organic oxides CHEBI:25701 organic oxide organic oxides ChEBI Wikipedia:Organophosphate organic phosphate chebi_ontology organic phosphate ester organic phosphate esters organic phosphates organophosphate ester organophosphate esters CHEBI:25703 organic phosphate organic phosphate ChEBI organic phosphate ester ChEBI organic phosphate esters ChEBI organic phosphates ChEBI organophosphate ester ChEBI organophosphate esters ChEBI Compounds of the general formula SO3HOR where R is an organyl group chebi_ontology organic sulfates CHEBI:25704 organic sulfate organic sulfate organic sulfates ChEBI Any organochlorine pesticide that has been used as an insecticide. chebi_ontology Organochlorinsektizid chlororganische Insektizide organochloride insecticide organochloride insecticides organochlorine insecticides CHEBI:25705 organochlorine insecticide Organochlorinsektizid ChEBI chlororganische Insektizide ChEBI organochloride insecticide ChEBI organochloride insecticides ChEBI organochlorine insecticides ChEBI A compound containing at least one carbon-mercury bond. chebi_ontology organomercury compounds CHEBI:25706 organomercury compound organomercury compounds ChEBI A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group. organometallic compounds chebi_ontology metalloorganic compounds metalloorganics metalorganic compounds organometallics CHEBI:25707 organometallic compound organometallic compounds IUPAC metalloorganic compounds ChEBI metalloorganics ChEBI metalorganic compounds ChEBI organometallics ChEBI chebi_ontology organophosphate insecticides CHEBI:25708 organophosphate insecticide organophosphate insecticides ChEBI An alcohol derived from an aliphatic compound. 0 HOR 17.007 17.00274 O* KEGG:C02525 Aliphatic alcohol chebi_ontology aliphatic alcohols an aliphatic alcohol CHEBI:2571 aliphatic alcohol Aliphatic alcohol KEGG_COMPOUND aliphatic alcohols ChEBI an aliphatic alcohol UniProt An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters. Wikipedia:Organophosphorus_compound organophosphorus compound chebi_ontology organophosphorus compounds CHEBI:25710 organophosphorus compound organophosphorus compound ChEBI organophosphorus compounds ChEBI chebi_ontology organophosphorus insecticides CHEBI:25711 organophosphorus insecticide organophosphorus insecticides ChEBI An organosilicon compound is a compound containing at least one carbon-silicon bond. organosilicon compound chebi_ontology organosilicon compounds silicoorganic compounds CHEBI:25713 organosilicon compound organosilicon compound ChEBI organosilicon compounds ChEBI silicoorganic compounds ChEBI chebi_ontology organophosphorothioate insecticide organothiophosphate insecticides CHEBI:25715 organothiophosphate insecticide organophosphorothioate insecticide ChEBI organothiophosphate insecticides ChEBI An organothiophosphorus compound is an organophosphorus compound which contains a phosphorus-sulfur bond. chebi_ontology organothiophosphorus compounds CHEBI:25716 organothiophosphorus compound organothiophosphorus compounds ChEBI chebi_ontology organotin compounds stannanes CHEBI:25717 organotin compound organotin compounds ChEBI stannanes ChEBI A solute used by a cell under water stress to maintain cell volume. chebi_ontology osmolytes CHEBI:25728 osmolyte osmolytes ChEBI An oxide is a chemical compound of oxygen with other chemical elements. oxide chebi_ontology oxides CHEBI:25741 oxide oxide ChEBI oxides ChEBI Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes. 0 CHNOR2 43.02470 43.00581 O\N=C(\[*])[*] oxime oximes chebi_ontology oximes CHEBI:25750 oxime oxime IUPAC oximes IUPAC oximes ChEBI Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule. oxo carboxylic acids chebi_ontology oxo acids oxo carboxylic acids CHEBI:25754 oxo carboxylic acid oxo carboxylic acids IUPAC oxo acids IUPAC oxo carboxylic acids ChEBI Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety. chebi_ontology CHEBI:2580 unsaturated fatty acid anion 0 O InChI=1S/O QVGXLLKOCUKJST-UHFFFAOYSA-N 15.99940 15.99491 [O] KEGG:C00007 WebElements:O oxygen chebi_ontology 8O O Sauerstoff oxigeno oxygen oxygene CHEBI:25805 oxygen atom oxygen IUPAC 8O IUPAC O IUPAC Sauerstoff ChEBI oxigeno ChEBI oxygen ChEBI oxygene ChEBI oxygen molecular entity chebi_ontology oxygen molecular entities CHEBI:25806 oxygen molecular entity oxygen molecular entity ChEBI oxygen molecular entities ChEBI chebi_ontology oxopurines CHEBI:25810 oxopurine oxopurines ChEBI ozone A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring. chebi_ontology p-quinone para-quinones CHEBI:25830 p-quinones p-quinone ChEBI para-quinones ChEBI A fatty acid ester obtained by condensation of the carboxy group of palmitic acid with a hydroxy group of an alcohol or phenol. hexadecanoate ester A class of amides formed from pantoic acid and beta-alanine and its derivatives. chebi_ontology CHEBI:25848 pantothenic acids Any ketone that is pentane substituted by an oxo group at unspecified position. chebi_ontology pentanones CHEBI:25892 pentanone pentanones ChEBI aldopentose phosphate chebi_ontology aldopentose phosphates CHEBI:25900 aldopentose phosphate aldopentose phosphate ChEBI aldopentose phosphates ChEBI A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose). pentose chebi_ontology pentoses CHEBI:25901 pentose pentose ChEBI pentoses ChEBI A chemically diverse class of peptides that exhibit antimicrobial properties. MetaCyc:Peptide-Antibiotics PMID:33398258 chebi_ontology peptide antibiotics CHEBI:25903 peptide antibiotic PMID:33398258 Europe PMC peptide antibiotics ChEBI Any peptide with hormonal activity in animals, whether endocrine, neuroendocrine, or paracrine. chebi_ontology peptide hormones polypeptide hormone CHEBI:25905 peptide hormone peptide hormones ChEBI polypeptide hormone ChEBI Compounds of structure ROOR'. 0 O2R2 31.999 31.98983 [*]OO[*] chebi_ontology a peroxide CHEBI:25940 peroxides a peroxide UniProt A substance that increases the efficacy of a pesticide. chebi_ontology pesticide synergists CHEBI:25943 pesticide synergist pesticide synergists ChEBI Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Wikipedia:Pesticide pesticide chebi_ontology Pestizid Pestizide pesticides CHEBI:25944 pesticide pesticide IUPAC Pestizid ChEBI Pestizide ChEBI pesticides ChEBI Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. chebi_ontology CHEBI:25961 phenanthrenes Any monocarboxylic acid that is phenylacetic acid or its substituted derivatives. chebi_ontology CHEBI:25978 phenylacetic acids An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of phenylalanine by a heteroatom. The definition normally excludes peptides containing phenylalanine residues. chebi_ontology CHEBI:25985 phenylalanine derivative An ethanolamine compound having a phenyl (substituted or unsubstituted) group on the carbon bearing the hydroxy substituent. chebi_ontology CHEBI:25990 phenylethanolamines Any member of the class of hydrazines carrying a phenyl substituent. chebi_ontology CHEBI:25996 phenylhydrazines Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin. Wikipedia:Phenylpropanoid chebi_ontology phenylpropanoids CHEBI:26004 phenylpropanoid phenylpropanoid phenylpropanoids ChEBI A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. PMID:23988175 Wikipedia:Pheromone pheromone chebi_ontology ectohormone feromone pheromones CHEBI:26013 pheromone PMID:23988175 Europe PMC pheromone IUPAC ectohormone IUPAC feromone IUPAC pheromones ChEBI Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom. phosphates chebi_ontology phosphates CHEBI:26020 phosphate phosphates IUPAC phosphates ChEBI chebi_ontology CHEBI:26043 phosphinic ester chebi_ontology CHEBI:26045 phosphite ion chebi_ontology phosphonates CHEBI:26066 phosphonate phosphonates ChEBI HP(=O)(OH)2 (phosphonic acid) and its P-substituted derivatives. phosphonic acids chebi_ontology CHEBI:26069 phosphonic acids phosphonic acids IUPAC A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. phosphoric acid http://langual.org 0 H3O4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) NBIIXXVUZAFLBC-UHFFFAOYSA-N 97.99520 97.97690 [H]OP(=O)(O[H])O[H] Beilstein:1921286 CAS:7664-38-2 Codex::338 Drug_Central:4478 Europe::338 Gmelin:2000 HMDB:HMDB0002142 KEGG:C00009 KEGG:D05467 KNApSAcK:C00007408 PMID:11455380 PMID:15630224 PMID:17439666 PMID:17518491 PMID:22282755 PMID:22333268 PMID:22381614 PMID:22401268 Reaxys:1921286 Wikipedia:Phosphoric_Acid http://www.langual.org/langual_thesaurus.asp?termid=B3186 Phosphoric acid phosphoric acid tetraoxophosphoric acid trihydrogen tetraoxophosphate(3-) trihydroxidooxidophosphorus chebi_ontology H3PO4 Orthophosphoric acid Phosphate Phosphorsaeure Phosphorsaeureloesungen [PO(OH)3] acide phosphorique acidum phosphoricum orthophosphoric acid CHEBI:26078 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant synergist, sequestrant. phosphoric acid Beilstein:1921286 Beilstein CAS:7664-38-2 ChemIDplus CAS:7664-38-2 KEGG COMPOUND CAS:7664-38-2 NIST Chemistry WebBook Drug_Central:4478 DrugCentral Gmelin:2000 Gmelin PMID:11455380 Europe PMC PMID:15630224 Europe PMC PMID:17439666 Europe PMC PMID:17518491 Europe PMC PMID:22282755 Europe PMC PMID:22333268 Europe PMC PMID:22381614 Europe PMC PMID:22401268 Europe PMC Reaxys:1921286 Reaxys Phosphoric acid KEGG_COMPOUND phosphoric acid IUPAC tetraoxophosphoric acid IUPAC trihydrogen tetraoxophosphate(3-) IUPAC trihydroxidooxidophosphorus IUPAC H3PO4 IUPAC Orthophosphoric acid KEGG_COMPOUND Phosphate KEGG_COMPOUND Phosphorsaeure ChEBI Phosphorsaeureloesungen ChEBI [PO(OH)3] IUPAC acide phosphorique ChEBI acidum phosphoricum ChEBI orthophosphoric acid NIST_Chemistry_WebBook chebi_ontology CHEBI:26079 phosphoric acid derivative chebi_ontology phosphorus molecular entities CHEBI:26082 phosphorus molecular entity phosphorus molecular entities ChEBI chebi_ontology CHEBI:26087 photosynthetic electron-transport chain inhibitor chebi_ontology CHEBI:26088 photosystem-I inhibitor chebi_ontology CHEBI:26089 photosystem-II inhibitor chebi_ontology phthalates CHEBI:26092 phthalate phthalates ChEBI A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups (A closed class). 0 C8H6O4 166.131 166.02661 benzenedicarboxylic acid chebi_ontology CHEBI:26094 benzenedicarboxylic acid benzenedicarboxylic acid IUPAC phylloquinones A toxin made by a plant that acts against an organism attacking it. chebi_ontology phytoalexins CHEBI:26115 phytoalexin phytoalexins ChEBI chebi_ontology phytosteroids CHEBI:26124 phytosteroid phytosteroids ChEBI phytylnaphthoquinone An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. chebi_ontology pigments CHEBI:26130 biological pigment pigments ChEBI chebi_ontology CHEBI:26144 piperazines chebi_ontology CHEBI:26151 piperidines A chemical, natural or artificial, that can affect the rate of growth of a plant. chebi_ontology plant growth regulators CHEBI:26155 plant growth regulator plant growth regulators ChEBI Any amino acid whose side chain is capable of forming one or more hydrogen bonds. 0 C2H4NO2R 74.059 74.02420 OC(C(*)N)=O CHEBI:8283 MetaCyc:Polar-amino-acids PMID:12016058 polar amino acid chebi_ontology polar amino acids polar amino-acid polar amino-acids CHEBI:26167 polar amino acid PMID:12016058 Europe PMC polar amino acid ChEBI polar amino acids ChEBI polar amino-acid ChEBI polar amino-acids ChEBI Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides. polyketide chebi_ontology polyketides CHEBI:26188 polyketide polyketide ChEBI polyketides ChEBI A compound that contains two or more hydroxy groups. chebi_ontology polyols CHEBI:26191 polyol polyols ChEBI Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group. Wikipedia:Polyphenol chebi_ontology polyphenols CHEBI:26195 polyphenol polyphenols ChEBI Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units. 0 (C5H8)nC10H18O CHEBI:8317 KEGG:C06081 chebi_ontology polyprenols CHEBI:26199 polyprenol polyprenols ChEBI Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome. PMID:14977874 PMID:16380690 PMID:17891522 chebi_ontology PUFA PUFAs polyunsaturated fatty acids CHEBI:26208 polyunsaturated fatty acid PMID:14977874 Europe PMC PMID:16380690 Europe PMC PMID:17891522 Europe PMC PUFA ChEBI PUFAs ChEBI polyunsaturated fatty acids ChEBI 0 K InChI=1S/K ZLMJMSJWJFRBEC-UHFFFAOYSA-N 39.09830 38.96371 [K] CAS:7440-09-7 DrugBank:DB01345 KEGG:C00238 WebElements:K potassium chebi_ontology 19K K Kalium kalium potasio potassium CHEBI:26216 potassium atom CAS:7440-09-7 ChemIDplus potassium IUPAC 19K IUPAC K IUPAC Kalium ChemIDplus kalium IUPAC potasio ChEBI potassium ChEBI potassium molecular entity chebi_ontology potassium molecular entities CHEBI:26217 potassium molecular entity potassium molecular entity ChEBI potassium molecular entities ChEBI Any alkali metal salt having potassium(1+) as the cation. chebi_ontology Kaliumsalz Kaliumsalze potassium salts CHEBI:26218 potassium salt Kaliumsalz ChEBI Kaliumsalze ChEBI potassium salts ChEBI chebi_ontology CHEBI:26220 precocenes Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids). PMID:3113948 PMID:4207873 prenols chebi_ontology CHEBI:26244 prenols PMID:3113948 Europe PMC PMID:4207873 Europe PMC prenols IUPAC A quinone substituted by a polyprenyl-derived side-chain. Prenylquinones occur in all living cells. Due to their amphiphilic character, they are mainly located in biological membranes where they function as electron and proton carriers in the photosynthetic and respiratory electron transport chains. Some prenylquinones also perform more specialised roles sucy as antioxidants and enzyme cofactors. Prenylquinones are classified according to ring structure: the main classes are menaquinones, phylloquinones, ubiquinones and plastoquinones. prenylquinone An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N 115.13050 115.06333 OC(=O)C1CCCN1 Beilstein:80809 CAS:609-36-9 Gmelin:26927 KEGG:C16435 PMID:16534801 PMID:21400017 PMID:21903295 PMID:22264337 PMID:22280966 PMID:22770225 Reaxys:80809 Wikipedia:Proline proline chebi_ontology DL-Proline Hpro Prolin prolina pyrrolidine-2-carboxylic acid CHEBI:26271 proline proline Beilstein:80809 Beilstein CAS:609-36-9 ChemIDplus CAS:609-36-9 KEGG COMPOUND CAS:609-36-9 NIST Chemistry WebBook Gmelin:26927 Gmelin PMID:16534801 Europe PMC PMID:21400017 Europe PMC PMID:21903295 Europe PMC PMID:22264337 Europe PMC PMID:22280966 Europe PMC PMID:22770225 Europe PMC Reaxys:80809 Reaxys proline ChEBI proline IUPAC DL-Proline KEGG_COMPOUND Hpro IUPAC Prolin ChEBI prolina ChEBI pyrrolidine-2-carboxylic acid IUPAC An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues. chebi_ontology proline derivatives CHEBI:26273 proline derivative proline derivatives ChEBI A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6. 0 C10H19N5S InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N 241.35756 241.13612 CSc1nc(NC(C)C)nc(NC(C)C)n1 Beilstein:613575 CAS:7287-19-6 Gmelin:1044597 KEGG:C18542 LINCS:LSM-20941 MetaCyc:CPD-9344 PMID:24138459 PMID:24485317 PPDB:542 Patent:CN101971818 Patent:CN101971820 Pesticides:prometryn Reaxys:613575 UM-BBD_compID:c0255 6-(methylsulfanyl)-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine Prometryn chebi_ontology 2-(methylthio)-4,6-bis(isopropylamino)-s-triazine N,N'-bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine N,N'-diisopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine Prometryne CHEBI:26276 prometryn Beilstein:613575 Beilstein CAS:7287-19-6 ChemIDplus CAS:7287-19-6 KEGG COMPOUND CAS:7287-19-6 NIST Chemistry WebBook Gmelin:1044597 Gmelin PMID:24138459 Europe PMC PMID:24485317 Europe PMC Pesticides:prometryn Alan Wood's Pesticides Reaxys:613575 Reaxys UM-BBD_compID:c0255 UM-BBD 6-(methylsulfanyl)-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC Prometryn UM-BBD 2-(methylthio)-4,6-bis(isopropylamino)-s-triazine NIST_Chemistry_WebBook N,N'-bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine NIST_Chemistry_WebBook N,N'-diisopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine ChEBI Prometryne ChemIDplus A primary alcohol based on a propan-1-olskeleton and its substituted derivatives. propan-1-ols chebi_ontology CHEBI:26279 propan-1-ols propan-1-ols ChEBI An aldehyde based on a propanal skeleton and its derivatives. chebi_ontology CHEBI:26282 propanals propane-1,2-diols propanediol A ketone that is propane carrying at least one oxo substituent. chebi_ontology CHEBI:26292 propanones A member of the class of hydrazones that is used as an insecticide for control of ants and cockroaches. 0 C25H24F6N4 InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35) IQVNEKKDSLOHHK-UHFFFAOYSA-N 494.47544 494.19052 [H]C(=C([H])C(=NN=C1NCC(C)(C)CN1)C([H])=C([H])c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F Beilstein:6015162 CAS:67485-29-4 KEGG:C10994 PMID:1517507 PMID:21383534 PMID:23148883 PMID:23156173 PMID:24665704 PPDB:386 Reaxys:6015162 5,5-dimethyltetrahydropyrimidin-2(1H)-one (3-[4-(trifluoromethyl)phenyl]-1-{2-[4-(trifluoromethyl)phenyl]ethenyl}prop-2-en-1-ylidene)hydrazone Hydramethylnon chebi_ontology Maxforce tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone (1,5-bis(alpha,alpha,alpha-trifluoro-p-tolyl)-1,4-pentadien-3-one)hydrazone tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone (3-(4-(trifluoromethyl)phenyl)-1-(2-(4-(trifluoromethyl)phenyl)ethenyl)-2-propenylidene)hydrazone CHEBI:2630 hydramethylnon Beilstein:6015162 ChemIDplus CAS:67485-29-4 ChemIDplus CAS:67485-29-4 KEGG COMPOUND CAS:67485-29-4 NIST Chemistry WebBook PMID:1517507 Europe PMC PMID:21383534 Europe PMC PMID:23148883 Europe PMC PMID:23156173 Europe PMC PMID:24665704 Europe PMC Reaxys:6015162 Reaxys 5,5-dimethyltetrahydropyrimidin-2(1H)-one (3-[4-(trifluoromethyl)phenyl]-1-{2-[4-(trifluoromethyl)phenyl]ethenyl}prop-2-en-1-ylidene)hydrazone IUPAC Hydramethylnon KEGG_COMPOUND Maxforce ChEBI tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone (1,5-bis(alpha,alpha,alpha-trifluoro-p-tolyl)-1,4-pentadien-3-one)hydrazone ChemIDplus tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone (3-(4-(trifluoromethyl)phenyl)-1-(2-(4-(trifluoromethyl)phenyl)ethenyl)-2-propenylidene)hydrazone ChemIDplus chebi_ontology CHEBI:26300 propenol A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond. 0 C3H5N InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3 FVSKHRXBFJPNKK-UHFFFAOYSA-N 55.07850 55.04220 CCC#N CAS:107-12-0 MetaCyc:CPD-8860 PMID:20129732 PMID:3315259 PMID:3429812 PMID:8331438 PMID:9098948 PMID:938041 Reaxys:773680 Wikipedia:Propionitrile chebi_ontology CH3CH2CN EtCN cyanoethane ethyl cyanide n-propanenitrile propanenitrile propionic nitrile propiononitrile CHEBI:26307 propionitrile CAS:107-12-0 ChemIDplus CAS:107-12-0 NIST Chemistry WebBook PMID:20129732 Europe PMC PMID:3315259 Europe PMC PMID:3429812 Europe PMC PMID:8331438 Europe PMC PMID:9098948 Europe PMC PMID:938041 Europe PMC Reaxys:773680 Reaxys CH3CH2CN ChEBI EtCN ChEBI cyanoethane ChemIDplus ethyl cyanide ChemIDplus n-propanenitrile NIST_Chemistry_WebBook propanenitrile ChemIDplus propionic nitrile ChemIDplus propiononitrile ChemIDplus chebi_ontology CHEBI:26313 propynol Naturally occurring compounds derived from the parent C20 acid, prostanoic acid. CAS:11000-26-3 LIPID_MAPS_class:LMFA0301 prostaglandin prostaglandins chebi_ontology prostaglandins CHEBI:26333 prostaglandin CAS:11000-26-3 ChemIDplus LIPID_MAPS_class:LMFA0301 LIPID MAPS prostaglandin ChEBI prostaglandins IUPAC prostaglandins ChEBI 0 C5H6O2R2 98.09990 98.03678 O[C@H]1CC(=O)[C@H]([*])[C@H]1[*] chebi_ontology PGD CHEBI:26337 prostaglandins D PGD ChEBI 0 C5H6O2R2 98.09990 98.03678 O[C@@H]1CC(=O)[C@H]([*])[C@H]1[*] chebi_ontology PGE CHEBI:26338 prostaglandins E PGE ChEBI Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine. amidine amidines chebi_ontology Amidines amidines CHEBI:2634 amidine amidine IUPAC amidines IUPAC Amidines KEGG_COMPOUND amidines ChEBI 0 C5H8O2R2 100.11580 100.05243 OC1C[C@@H](O)[C@H]([*])[C@H]1[*] chebi_ontology PGF CHEBI:26340 prostaglandins F PGF ChEBI 0 C7H10O2R2 126.15310 126.06808 [H][C@]12C[C@@H](O)[C@H]([*])[C@@]1([H])CC([*])O2 chebi_ontology PGI CHEBI:26345 prostaglandins I PGI ChEBI The family of natural prostaglandins and prostaglandin-like compounds including prostacyclins and thromboxanes. prostanoid prostanoids chebi_ontology prostanoids CHEBI:26347 prostanoid prostanoid ChEBI prostanoids IUPAC prostanoids ChEBI A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. prosthetic group chebi_ontology groupe prosthetique prosthetic groups CHEBI:26348 prosthetic group prosthetic group IUPAC groupe prosthetique IUPAC prosthetic groups ChEBI chebi_ontology CHEBI:26373 pteridines chebi_ontology CHEBI:26375 pterins pullulans chebi_ontology purine alkaloids CHEBI:26385 purine alkaloid purine alkaloids ChEBI A nucleobase whose skeleton is derived from purine. 0 C5H3N4R2 119.104 119.03577 C1(NC(=NC=2NC=NC12)*)=* KEGG:C15587 purine nucleobase chebi_ontology a purine nucleobase purine bases purine nucleobases CHEBI:26386 purine nucleobase purine nucleobase ChEBI a purine nucleobase UniProt purine bases ChEBI purine nucleobases ChEBI A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid. 0 C6H8ClN7O InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) XSDQTOBWRPYKKA-UHFFFAOYSA-N 229.62700 229.04789 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N CHEBI:47210 Beilstein:616612 CAS:2609-46-3 DrugBank:DB00594 Drug_Central:158 HMDB:HMDB0014732 KEGG:C06821 KEGG:D07447 LINCS:LSM-4194 MetaCyc:CPD-10324 PDBeChem:AMR PMID:16020936 PMID:24410943 PMID:24419567 PMID:9124403 Patent:BE639386 Patent:US3313813 Reaxys:657410 Wikipedia:Amiloride 3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide Amiloride chebi_ontology 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide amilorida amiloride amiloridum CHEBI:2639 amiloride Beilstein:616612 Beilstein CAS:2609-46-3 ChemIDplus CAS:2609-46-3 KEGG COMPOUND Drug_Central:158 DrugCentral PMID:16020936 Europe PMC PMID:24410943 Europe PMC PMID:24419567 Europe PMC PMID:9124403 Europe PMC Reaxys:657410 Reaxys 3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide IUPAC Amiloride KEGG_COMPOUND 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide IUPAC N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide ChemIDplus amilorida ChemIDplus amiloride ChEBI amiloride WHO_MedNet amiloridum ChemIDplus chebi_ontology purine nucleoside monophosphates CHEBI:26392 purine nucleoside monophosphate purine nucleoside monophosphates ChEBI chebi_ontology purine nucleoside triphosphates CHEBI:26393 purine nucleoside triphosphate purine nucleoside triphosphates ChEBI purine nucleoside chebi_ontology purine nucleosides CHEBI:26394 purine nucleoside purine nucleoside ChEBI purine nucleosides ChEBI Any nucleotide that has a purine nucleobase. chebi_ontology purine nucleotides CHEBI:26395 purine nucleotide purine nucleotides ChEBI chebi_ontology purine ribonucleoside monophosphates CHEBI:26397 purine ribonucleoside monophosphate purine ribonucleoside monophosphates ChEBI chebi_ontology purine ribonucleoside triphosphates CHEBI:26398 purine ribonucleoside triphosphate purine ribonucleoside triphosphates ChEBI A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration). 0 C5H9O4R 133.123 133.05008 *[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O chebi_ontology purine ribonucleosides CHEBI:26399 purine ribonucleoside purine ribonucleosides ChEBI Any ribonucleotide that has a purine nucleobase. chebi_ontology purine ribonucleotides CHEBI:26400 purine ribonucleotide purine ribonucleotides ChEBI A class of imidazopyrimidines that consists of purine and its substituted derivatives. 0 C5N4R7 116.080 116.01230 CHEBI:13678 chebi_ontology CHEBI:26401 purines chebi_ontology CHEBI:26407 pyrans chebi_ontology CHEBI:26410 pyrazoles chebi_ontology pyrethroid insecticides CHEBI:26413 pyrethroid insecticide pyrethroid insecticides ChEBI chebi_ontology pyridazinones CHEBI:26414 pyridazinone pyridazinones ChEBI chebi_ontology pyridine alkaloids CHEBI:26416 pyridine alkaloid pyridine alkaloids ChEBI A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring. chebi_ontology pyridinemonocarboxylic acids CHEBI:26420 pyridinemonocarboxylic acid pyridinemonocarboxylic acids ChEBI Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. chebi_ontology CHEBI:26421 pyridines A nucleobase whose skeleton is derived from pyrimidine. 0 C4HN2R4 77.064 77.01397 N1C(=C(C(=NC1=*)*)*)* pyrimidine nucleobase chebi_ontology a pyrimidine nucleobase pyrimidine bases pyrimidine nucleobases CHEBI:26432 pyrimidine nucleobase pyrimidine nucleobase ChEBI a pyrimidine nucleobase UniProt pyrimidine bases ChEBI pyrimidine nucleobases ChEBI KEGG:C03169 chebi_ontology N-D-Ribosylpyrimidine pyrimidine nucleosides CHEBI:26440 pyrimidine nucleoside N-D-Ribosylpyrimidine KEGG_COMPOUND pyrimidine nucleosides ChEBI An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton. chebi_ontology CHEBI:26455 pyrroles chebi_ontology pyrrolidine alkaloids CHEBI:26456 pyrrolidine alkaloid pyrrolidine alkaloids ChEBI An L-alpha-amino acid which is biosynthesised from pyruvate (i.e. alanine, valine, and leucine). A closed class. chebi_ontology pyruvate family amino acids CHEBI:26463 pyruvate family amino acid pyruvate family amino acids ChEBI A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen. chebi_ontology CHEBI:26469 quaternary nitrogen compound chebi_ontology quinoline N-oxides CHEBI:26508 quinoline N-oxide quinoline N-oxides ChEBI chebi_ontology quinoline alkaloids CHEBI:26509 quinoline alkaloid quinoline alkaloids ChEBI Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent. chebi_ontology quinolinemonocarboxylic acids CHEBI:26512 quinolinemonocarboxylic acid quinolinemonocarboxylic acids ChEBI A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. chebi_ontology CHEBI:26513 quinolines A molecular entity possessing an unpaired electron. radical chebi_ontology Radikal Radikale free radical freies Radikal radical libre radicales libres radicals CHEBI:26519 radical radical IUPAC Radikal ChEBI Radikale ChEBI free radical ChEBI freies Radikal ChEBI radical libre ChEBI radicales libres ChEBI radicals IUPAC Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers. Wikipedia:Reactive_oxygen_species chebi_ontology ROS CHEBI:26523 reactive oxygen species ROS ChEBI chebi_ontology CHEBI:26534 retinals A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). 0 C20H28O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N 300.43512 300.20893 CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O LINCS:LSM-2135 PMID:24506204 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid chebi_ontology CHEBI:26536 retinoic acid PMID:24506204 Europe PMC 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid IUPAC Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. retinoid retinoids chebi_ontology retinoids CHEBI:26537 retinoid retinoid ChEBI retinoids IUPAC retinoids ChEBI A deoxymannose sugar that is the 6-deoxy derivative of hexose. 0 C6H12O5 164.157 164.06847 PMID:24211429 PMID:24831810 chebi_ontology ramnose CHEBI:26546 rhamnose rhamnose chebi_ontology 1-ribosylimidazolecarboxamides CHEBI:26556 1-ribosylimidazolecarboxamide 1-ribosylimidazolecarboxamides ChEBI chebi_ontology ribonucleoside monophosphates CHEBI:26558 ribonucleoside monophosphate ribonucleoside monophosphates ChEBI chebi_ontology ribonucleotides CHEBI:26561 ribonucleotide ribonucleotides ChEBI ribose phosphate chebi_ontology ribose phosphates CHEBI:26562 ribose phosphate ribose phosphate ChEBI ribose phosphates ChEBI Any compound with a 1,3,5-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 3 and 5 of the core benzene ring structure. chebi_ontology s-triazines CHEBI:26588 1,3,5-triazines s-triazines ChEBI Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid. PMID:22866967 chebi_ontology CHEBI:26596 salicylates PMID:22866967 Europe PMC Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess. PMID:16492686 PMID:19763019 PMID:20237329 saturated fatty acid chebi_ontology SFA SFAs saturated fatty acids CHEBI:26607 saturated fatty acid saturated fatty acid PMID:16492686 Europe PMC PMID:19763019 Europe PMC PMID:20237329 Europe PMC saturated fatty acid ChEBI SFA ChEBI SFAs ChEBI saturated fatty acids ChEBI selenium molecular entity chebi_ontology selenium molecular entities CHEBI:26628 selenium molecular entity selenium molecular entity ChEBI selenium molecular entities ChEBI A molecular messenger released by an organism that affects the behaviour within or between species. Wikipedia:Semiochemical chebi_ontology semiochemicals CHEBI:26645 semiochemical semiochemicals ChEBI A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5. 0 C19H23N3 InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3 QXAITBQSYVNQDR-UHFFFAOYSA-N 293.40600 293.18920 CN(C=Nc1ccc(C)cc1C)C=Nc1ccc(C)cc1C Beilstein:2946590 CAS:33089-61-1 KEGG:C10995 KEGG:D02380 PMID:10885999 PMID:15822764 PMID:24288053 PMID:25053051 PPDB:30 Pesticides:amitraz Reaxys:2946590 VSDB:30 Wikipedia:Amitraz Amitraz N'-(2,4-dimethylphenyl)-N-{[(2,4-dimethylphenyl)imino]methyl}-N-methylmethanimidamide chebi_ontology 1,5-di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene Mitac N,N'-(methyliminodimethylidyne)bis-2,4-xylidine CHEBI:2665 amitraz Beilstein:2946590 Beilstein CAS:33089-61-1 ChemIDplus CAS:33089-61-1 KEGG COMPOUND CAS:33089-61-1 NIST Chemistry WebBook PMID:10885999 Europe PMC PMID:15822764 Europe PMC PMID:24288053 Europe PMC PMID:25053051 Europe PMC Pesticides:amitraz Alan Wood's Pesticides Reaxys:2946590 Reaxys Amitraz KEGG_COMPOUND N'-(2,4-dimethylphenyl)-N-{[(2,4-dimethylphenyl)imino]methyl}-N-methylmethanimidamide IUPAC 1,5-di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene ChemIDplus Mitac KEGG_COMPOUND N,N'-(methyliminodimethylidyne)bis-2,4-xylidine ChemIDplus An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class. PMID:20709681 chebi_ontology 3-phosphoglycerate family amino acid 3-phosphoglycerate family amino acids serine family amino acids CHEBI:26650 serine family amino acid PMID:20709681 Europe PMC 3-phosphoglycerate family amino acid ChEBI 3-phosphoglycerate family amino acids ChEBI serine family amino acids ChEBI Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0103 chebi_ontology sesquiterpenoides sesquiterpenoids CHEBI:26658 sesquiterpenoid LIPID_MAPS_class:LMPR0103 LIPID MAPS sesquiterpenoides ChEBI sesquiterpenoids ChEBI An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. 0 C20H23N InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N 277.40336 277.18305 CN(C)CCC=C1c2ccccc2CCc2ccccc12 Beilstein:2217885 CAS:50-48-6 DrugBank:DB00321 Drug_Central:180 HMDB:HMDB0014466 KEGG:C06824 KEGG:D07448 LINCS:LSM-3190 PMID:15554244 PMID:18359012 PMID:24447704 Patent:CN101780063 Patent:WO2011089289 Reaxys:2217885 VSDB:2962 Wikipedia:Amitriptyline 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine Amitriptyline chebi_ontology 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene 10,11-dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-Delta(5),gamma-propylamine 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine 5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene 5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene 5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptadiene Amitriptylin CHEBI:2666 amitriptyline Beilstein:2217885 Beilstein CAS:50-48-6 ChemIDplus CAS:50-48-6 KEGG COMPOUND CAS:50-48-6 NIST Chemistry WebBook Drug_Central:180 DrugCentral PMID:15554244 Europe PMC PMID:18359012 Europe PMC PMID:24447704 Europe PMC Reaxys:2217885 Reaxys 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine IUPAC Amitriptyline KEGG_COMPOUND 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene NIST_Chemistry_WebBook 10,11-dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-Delta(5),gamma-propylamine NIST_Chemistry_WebBook 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine NIST_Chemistry_WebBook 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine ChEBI 5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene NIST_Chemistry_WebBook 5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene NIST_Chemistry_WebBook 5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptadiene NIST_Chemistry_WebBook Amitriptylin ChemIDplus An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid. 0 CH2OR 45.017 44.99765 OC([*])=O PMID:16633129 PMID:16870803 PMID:18203540 PMID:20148677 chebi_ontology SCFA SCFAs short-chain fatty acids CHEBI:26666 short-chain fatty acid PMID:16633129 Europe PMC PMID:16870803 Europe PMC PMID:18203540 Europe PMC PMID:20148677 Europe PMC SCFA ChEBI SCFAs ChEBI short-chain fatty acids ChEBI Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron. siderophore chebi_ontology ferrioxamine ferrioxamines ironophore siderochrome siderochromes siderophores CHEBI:26672 siderophore siderophore IUPAC ferrioxamine ChEBI ferrioxamines ChEBI ironophore ChEBI siderochrome ChEBI siderochromes ChEBI siderophores ChEBI silicon molecular entity chebi_ontology silicon compounds silicon molecular entities CHEBI:26677 silicon molecular entity silicon molecular entity ChEBI silicon compounds ChEBI silicon molecular entities ChEBI A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. 0 C20H25ClN2O5 InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3 HTIQEAQVCYTUBX-UHFFFAOYSA-N 408.87600 408.14520 CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC Beilstein:3570229 CAS:88150-42-9 DrugBank:DB00381 Drug_Central:183 KEGG:C06825 KEGG:D07450 LINCS:LSM-1388 PMID:1532771 PMID:16422032 PMID:1834846 PMID:19450066 PMID:21591999 PMID:7522286 PMID:8310972 PMID:8310973 PMID:9156957 Patent:EP89167 Patent:US4572909 Reaxys:3570229 VSDB:2963 Wikipedia:Amlodipine 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate chebi_ontology 3-Ethyl-5-methyl (+-)-2-(2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate Amlodipine Free Base amlodipine amlodipino amlodipinum CHEBI:2668 amlodipine Beilstein:3570229 Beilstein CAS:88150-42-9 ChemIDplus CAS:88150-42-9 DrugBank CAS:88150-42-9 KEGG COMPOUND CAS:88150-42-9 KEGG DRUG Drug_Central:183 DrugCentral PMID:1532771 Europe PMC PMID:16422032 Europe PMC PMID:1834846 Europe PMC PMID:19450066 Europe PMC PMID:21591999 Europe PMC PMID:7522286 Europe PMC PMID:8310972 Europe PMC PMID:8310973 Europe PMC PMID:9156957 Europe PMC Reaxys:3570229 Reaxys 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC 3-Ethyl-5-methyl (+-)-2-(2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate ChemIDplus Amlodipine Free Base DrugBank amlodipine ChEBI amlodipine KEGG_DRUG amlodipino DrugBank amlodipinum DrugBank A reactive oxygen species that is the lowest excited state of the dioxygen molecule. 0 O2 InChI=1S/O2/c1-2 MYMOFIZGZYHOMD-UHFFFAOYSA-N 31.99880 31.98983 O=O Drug_Central:4235 Gmelin:491 PMID:18264592 PMID:21735018 PMID:21883246 Reaxys:16514885 Reaxys:3587218 Wikipedia:Singlet_oxygen singlet molecular oxygen chebi_ontology (1)O2 CHEBI:26689 singlet dioxygen Drug_Central:4235 DrugCentral Gmelin:491 Gmelin PMID:18264592 Europe PMC PMID:21735018 Europe PMC PMID:21883246 Europe PMC Reaxys:16514885 Reaxys Reaxys:3587218 Reaxys singlet molecular oxygen IUPAC (1)O2 ChEBI chebi_ontology CHEBI:26706 sn-glycerol 3-phosphates chebi_ontology CHEBI:26707 glycerol phosphate 0 Na InChI=1S/Na KEAYESYHFKHZAL-UHFFFAOYSA-N 22.98977 22.98977 [Na] CAS:7440-23-5 Gmelin:16221 KEGG:C01330 WebElements:Na sodium chebi_ontology 11Na Na Natrium natrium sodio sodium CHEBI:26708 sodium atom CAS:7440-23-5 ChemIDplus Gmelin:16221 Gmelin sodium IUPAC 11Na IUPAC Na IUPAC Natrium ChemIDplus natrium IUPAC sodio ChemIDplus sodium ChEBI An inorganic sodium salt having hydrogensulfite as the counterion. 0 HNaO3S InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1 DWAQJAXMDSEUJJ-UHFFFAOYSA-M 104.06191 103.95441 [Na+].OS([O-])=O AGR:IND605265115 CAS:7631-90-5 Gmelin:22395 PMID:27905861 PMID:30429859 PMID:32714086 PMID:32785935 sodium bisulfate sodium hydrogensulfite chebi_ontology NaHSO3 Natriumbisulfit Natriumhydrogensulfit primaeres Natriumsulfit saures Natriumsulfit sodium bisulfite sodium bisulphite sodium hydrogen sulfite CHEBI:26709 sodium hydrogensulfite sodium hydrogensulfite An inorganic chloride salt having sodium(1+) as the counterion. 0 ClNa InChI=1S/ClH.Na/h1H;/q;+1/p-1 FAPWRFPIFSIZLT-UHFFFAOYSA-M 58.44247 57.95862 [Na+].[Cl-] Beilstein:3534976 CAS:7647-14-5 Gmelin:13673 KEGG:C13563 KEGG:D02056 MetaCyc:NACL PPDB:595 Reaxys:3534976 Wikipedia:Sodium_Chloride sodium chloride chebi_ontology Kochsalz NaCl Natriumchlorid chlorure de sodium cloruro sodico common salt halite natrii chloridum rock salt salt table salt CHEBI:26710 sodium chloride sodium chloride Beilstein:3534976 Beilstein CAS:7647-14-5 ChemIDplus CAS:7647-14-5 KEGG COMPOUND CAS:7647-14-5 NIST Chemistry WebBook Gmelin:13673 Gmelin Reaxys:3534976 Reaxys sodium chloride ChEBI sodium chloride IUPAC Kochsalz ChEBI NaCl IUPAC Natriumchlorid NIST_Chemistry_WebBook chlorure de sodium ChEBI cloruro sodico ChEBI common salt ChemIDplus halite NIST_Chemistry_WebBook natrii chloridum ChEBI rock salt ChemIDplus salt ChemIDplus table salt ChemIDplus chebi_ontology sodium compounds sodium molecular entities CHEBI:26712 sodium molecular entity sodium compounds ChEBI sodium molecular entities ChEBI Any alkali metal salt having sodium(1+) as the cation. chebi_ontology Natriumsalz Natriumsalze sodium salts CHEBI:26714 sodium salt Natriumsalz ChEBI Natriumsalze ChEBI sodium salts ChEBI Any steroid that acts as hormone. chebi_ontology Steroidhormon Steroidhormone hormona esteroide hormonas esteroideas hormone steroide hormones steroides steroid hormones CHEBI:26764 steroid hormone Steroidhormon ChEBI Steroidhormone ChEBI hormona esteroide ChEBI hormonas esteroideas ChEBI hormone steroide ChEBI hormones steroides ChEBI steroid hormones ChEBI KEGG:C15507 chebi_ontology steroid lactones CHEBI:26766 steroid lactone steroid lactones ChEBI 0 C14H12 InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H PJANXHGTPQOBST-UHFFFAOYSA-N 180.24508 180.09390 [H]C(=C([H])c1ccccc1)c1ccccc1 Beilstein:1904445 CAS:588-59-0 Gmelin:67845 Wikipedia:Stilbene 1,1'-(ethene-1,2-diyl)dibenzene stilbene chebi_ontology 1,1'-(1,2-ethenediyl)bis[benzene] 1,1'-(1,2-ethenediyl)bisbenzene 1,1'-(1,2-ethenediyl)dibenzene 1,1'-ethene-1,2-diyldibenzene 1,2-diphenylethylene alpha,beta-diphenylethylene CHEBI:26775 stilbene stilbene Any olefinic compound characterised by a 1,2-diphenylethylene backbone. chebi_ontology stilbenes stilbenoids CHEBI:26776 stilbenoid stilbenoid stilbenes ChEBI stilbenoids ChEBI chebi_ontology CHEBI:26788 streptomycins A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine. 0 C9H13N 135.207 135.10480 CHEBI:51062 Beilstein:507867 CAS:300-62-9 DrugBank:DB00182 Gmelin:406210 HMDB:HMDB0014328 KEGG:C07514 KEGG:D07445 PMID:23889359 PMID:24408209 Reaxys:507867 Wikipedia:Amphetamine Amphetamine amphetamine rac-(2R)-1-phenylpropan-2-amine chebi_ontology 1-Phenylpropan-2-amin 1-phenyl-2-aminopropane Amfetamine Amphetamin Benzedrine alpha-methylbenzeneethaneamine alpha-methylphenylethylamine amfetamina amfetamine amfetaminum amphetaminium anfetamina beta-Phenylisopropylamin beta-aminopropylbenzene beta-phenylisopropylamine desoxynorephedrine rac-amphetamine CHEBI:2679 amphetamine Beilstein:507867 Beilstein CAS:300-62-9 ChemIDplus CAS:300-62-9 KEGG COMPOUND CAS:300-62-9 NIST Chemistry WebBook Gmelin:406210 Gmelin PMID:23889359 Europe PMC PMID:24408209 Europe PMC Reaxys:507867 Reaxys Amphetamine KEGG_COMPOUND amphetamine ChEBI amphetamine WHO_MedNet rac-(2R)-1-phenylpropan-2-amine IUPAC 1-Phenylpropan-2-amin ChEBI 1-phenyl-2-aminopropane NIST_Chemistry_WebBook Amfetamine ChemIDplus Amphetamin ChEBI Benzedrine ChEBI alpha-methylbenzeneethaneamine NIST_Chemistry_WebBook alpha-methylphenylethylamine NIST_Chemistry_WebBook amfetamina WHO_MedNet amfetamine WHO_MedNet amfetaminum ChemIDplus amfetaminum WHO_MedNet amphetaminium WHO_MedNet anfetamina WHO_MedNet beta-Phenylisopropylamin ChemIDplus beta-aminopropylbenzene ChemIDplus beta-aminopropylbenzene NIST_Chemistry_WebBook beta-phenylisopropylamine NIST_Chemistry_WebBook desoxynorephedrine ChemIDplus rac-amphetamine ChEBI chebi_ontology CHEBI:26799 styrenes chebi_ontology carbohydrate phosphates CHEBI:26816 carbohydrate phosphate carbohydrate phosphates ChEBI An ester of an alcohol and sulfuric acid. 0 O4SR2 96.06300 95.95173 [*]OS(=O)(=O)O[*] chebi_ontology sulfate ester sulfuric acid ester sulfuric acid esters CHEBI:26819 sulfuric ester sulfate ester ChEBI sulfuric acid ester ChEBI sulfuric acid esters ChEBI Salts and esters of sulfuric acid sulfates chebi_ontology sulfuric acid derivative sulphates CHEBI:26820 sulfates sulfates ChEBI sulfuric acid derivative ChEBI sulphates ChEBI Any sulfur molecular entity that involves either covalently bonded or anionic sulfur. chebi_ontology sulphides CHEBI:26822 sulfide sulphides ChEBI Any sulfurous acid derivative that is a salt or an ester of sulfurous acid. Wikipedia:Sulfite chebi_ontology Sulfite sulfito sulfitos sulphites CHEBI:26823 sulfites Sulfite ChEBI sulfito ChEBI sulfitos ChEBI sulphites ChEBI chebi_ontology CHEBI:26830 sulfonium compound 0 S InChI=1S/S NINIDFKCEFEMDL-UHFFFAOYSA-N 32.06600 31.97207 [S] CAS:7704-34-9 KEGG:C00087 KEGG:D06527 PPDB:605 WebElements:S sulfur chebi_ontology 16S Elemental sulfur S Schwefel azufre soufre sulfur sulphur theion CHEBI:26833 sulfur atom CAS:7704-34-9 ChemIDplus CAS:7704-34-9 NIST Chemistry WebBook CAS:7704-34-9 ChemIDplus CAS:7704-34-9 NIST Chemistry WebBook sulfur IUPAC 16S IUPAC Elemental sulfur KEGG_COMPOUND S IUPAC S KEGG_COMPOUND Schwefel ChEBI azufre ChEBI soufre ChEBI sulfur ChEBI sulfur UniProt sulphur ChEBI theion IUPAC chebi_ontology sulfur-containing amino acids CHEBI:26834 sulfur-containing amino acid sulfur-containing amino acids ChEBI sulfur molecular entity chebi_ontology sulfur molecular entities CHEBI:26835 sulfur molecular entity sulfur molecular entity ChEBI sulfur molecular entities ChEBI A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. sulphuric acid http://langual.org 0 H2O4S InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4) QAOWNCQODCNURD-UHFFFAOYSA-N 98.07948 97.96738 [H]OS(=O)(=O)O[H] CAS:7664-93-9 Codex::513 Europe::513 Gmelin:2122 KEGG:C00059 KEGG:D05963 KNApSAcK:C00007530 MolBase:4 PMID:13568755 PMID:16122922 PMID:19397353 PMID:22047659 PMID:22136045 PMID:22204399 PMID:22267186 PMID:22296037 PMID:22364556 PMID:22435616 PPDB:606 Reaxys:2037554 Wikipedia:Sulfuric_acid http://www.langual.org/langual_thesaurus.asp?termid=B3296 Sulfuric acid dihydrogen tetraoxosulfate dihydroxidodioxidosulfur hydrogen tetraoxosulfate(2-) hydrogen tetraoxosulfate(VI) sulfuric acid tetraoxosulfuric acid chebi_ontology Acide sulfurique Acido sulfurico Acidum sulfuricum H2SO4 Schwefelsaeureloesungen [S(OH)2O2] [SO2(OH)2] sulphuric acid sulfuric acid CHEBI:26836 LanguaL term definition: Food additive; technological purpose(s): acidity regulator. sulfuric acid CAS:7664-93-9 ChemIDplus CAS:7664-93-9 KEGG COMPOUND CAS:7664-93-9 NIST Chemistry WebBook Gmelin:2122 Gmelin PMID:13568755 Europe PMC PMID:16122922 Europe PMC PMID:19397353 Europe PMC PMID:22047659 Europe PMC PMID:22136045 Europe PMC PMID:22204399 Europe PMC PMID:22267186 Europe PMC PMID:22296037 Europe PMC PMID:22364556 Europe PMC PMID:22435616 Europe PMC Reaxys:2037554 Reaxys Sulfuric acid KEGG_COMPOUND dihydrogen tetraoxosulfate IUPAC dihydroxidodioxidosulfur IUPAC hydrogen tetraoxosulfate(2-) IUPAC hydrogen tetraoxosulfate(VI) IUPAC sulfuric acid ChEBI sulfuric acid IUPAC tetraoxosulfuric acid IUPAC Acide sulfurique ChemIDplus Acido sulfurico ChemIDplus Acidum sulfuricum ChemIDplus H2SO4 IUPAC Schwefelsaeureloesungen ChemIDplus [S(OH)2O2] MolBase [SO2(OH)2] IUPAC sulphuric acid MolBase A synthetic compound exhibiting auxin activity. chebi_ontology synthetic auxins CHEBI:26841 synthetic auxin synthetic auxins ChEBI Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol. Wikipedia:Tannin chebi_ontology tannins CHEBI:26848 tannin tannin Any terpenoid which contains a keto group. chebi_ontology CHEBI:26872 terpene ketone Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group. Wikipedia:Terpenoid Terpenoid terpenoids chebi_ontology terpenoide terpenoides CHEBI:26873 terpenoid Terpenoid ChEBI terpenoids IUPAC terpenoide IUPAC terpenoides IUPAC A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it. 0 C4H7OR3 71.09780 71.04969 OC(C[*])(C[*])C[*] tertiary alcohol chebi_ontology tertiary alcohols CHEBI:26878 tertiary alcohol tertiary alcohol ChEBI tertiary alcohols ChEBI Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions. 0 C6H2Cl4 215.892 213.89106 CAS:12408-10-5 tetrachlorobenzene chebi_ontology Tetrachlorbenzol CHEBI:26888 tetrachlorobenzene CAS:12408-10-5 ChemIDplus tetrachlorobenzene IUPAC Tetrachlorbenzol ChEBI A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. chebi_ontology CHEBI:26895 tetracyclines A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units. chebi_ontology tetrahydrofolate tetrahydrofolates tetrahydrofolic acids CHEBI:26907 tetrahydrofolic acid tetrahydrofolate ChEBI tetrahydrofolates ChEBI tetrahydrofolic acids ChEBI A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. 0 C4H8O InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2 WYURNTSHIVDZCO-UHFFFAOYSA-N 72.10570 72.05751 C1CCOC1 Beilstein:102391 CAS:109-99-9 Gmelin:1767 HMDB:HMDB0000246 PMID:12571688 PMID:1811956 PMID:1911404 PMID:19716170 PMID:21316415 PMID:21842397 PMID:2675957 Reaxys:102391 UM-BBD_compID:c0019 Wikipedia:THF oxolane chebi_ontology 1,4-epoxybutane THF butane alpha,delta-oxide butylene oxide furanidine tetrahydrofuran tetramethylene oxide CHEBI:26911 oxolane Beilstein:102391 Beilstein CAS:109-99-9 ChemIDplus CAS:109-99-9 NIST Chemistry WebBook Gmelin:1767 Gmelin PMID:12571688 Europe PMC PMID:1811956 Europe PMC PMID:1911404 Europe PMC PMID:19716170 Europe PMC PMID:21316415 Europe PMC PMID:21842397 Europe PMC PMID:2675957 Europe PMC Reaxys:102391 Reaxys UM-BBD_compID:c0019 UM-BBD oxolane IUPAC 1,4-epoxybutane ChemIDplus THF ChemIDplus butane alpha,delta-oxide NIST_Chemistry_WebBook butylene oxide UM-BBD furanidine UM-BBD tetrahydrofuran IUPAC tetramethylene oxide NIST_Chemistry_WebBook Any oxacycle having an oxolane (tetrahydrofuran) skeleton. chebi_ontology CHEBI:26912 oxolanes chebi_ontology tetrahydropyridines CHEBI:26921 tetrahydropyridine tetrahydropyridines ChEBI A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. tetrapyrrole tetrapyrroles chebi_ontology a tetrapyrrole CHEBI:26932 tetrapyrrole tetrapyrrole IUPAC tetrapyrroles IUPAC a tetrapyrrole UniProt Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0107 tetraterpenoids chebi_ontology C40 isoprenoids tetraterpenoides CHEBI:26935 tetraterpenoid tetraterpenoid LIPID_MAPS_class:LMPR0107 LIPID MAPS tetraterpenoids IUPAC C40 isoprenoids LIPID_MAPS tetraterpenoides ChEBI Any member of the group of 1,3-thiazolium cations that exhibit biological activity against vitamin B1 deficiency in animals. Symptoms of vitamin B1 deficiency include constipation, loss of apetite, fatigue, nausea, delirium, blurry vision and muscle weakness. Severe vitamin B1 deficiency can also lead to a disease known as beriberi. Vitamin B1 consists of the vitamer thiamin and its acid, aldehyde and phosphorylated derivatives (and their corresponding ionized, salt and hydrate forms). http://langual.org PMID:28859374 PMID:32554808 http://www.langual.org/langual_thesaurus.asp?termid=B3755 vitamin B1 vitamin b1 chebi_ontology thiamine thiamines thiamins vitamin B1 vitamer vitamin B1 vitamers vitamins B1 CHEBI:26948 vitamin B1 vitamin B1 PMID:28859374 Europe PMC PMID:32554808 Europe PMC vitamin B1 ChEBI thiamine ChEBI thiamines ChEBI thiamins ChEBI vitamin B1 vitamer ChEBI vitamin B1 vitamers ChEBI vitamins B1 ChEBI KEGG:C01857 ethanethioic acid chebi_ontology Thioessigsaeure CHEBI:26952 thioacetic acid ethanethioic acid IUPAC Thioessigsaeure ChEBI An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur. chebi_ontology thiocarboxylic esters CHEBI:26959 thiocarboxylic ester thiocarboxylic esters ChEBI Compounds containing at least one thiophene ring. chebi_ontology CHEBI:26961 thiophenes An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms. chebi_ontology heterotricyclic compounds organic heterotricyclic compounds CHEBI:26979 organic heterotricyclic compound heterotricyclic compounds ChEBI organic heterotricyclic compounds ChEBI 0 Sn InChI=1S/Sn ATJFFYVFTNAWJD-UHFFFAOYSA-N 118.71000 119.90220 [Sn] CAS:7440-31-5 UM-BBD_compID:c0585 WebElements:Sn tin chebi_ontology 50Sn Sn Zinn estano etain stannum tin CHEBI:27007 tin atom CAS:7440-31-5 ChemIDplus UM-BBD_compID:c0585 UM-BBD tin IUPAC 50Sn IUPAC Sn IUPAC Zinn ChemIDplus estano ChEBI etain ChEBI stannum IUPAC tin ChEBI chebi_ontology tin compounds tin molecular entities CHEBI:27008 tin molecular entity tin compounds ChEBI tin molecular entities ChEBI A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. CAS:1406-66-2 Wikipedia:Tocopherol Tocopherol tocopherol chebi_ontology Methyltocols Tocopherols tocoferol tocoferoles tocopherols CHEBI:27013 tocopherol tocopherol CAS:1406-66-2 ChemIDplus Tocopherol ChemIDplus tocopherol ChEBI Methyltocols ChemIDplus Tocopherols ChemIDplus tocoferol ChEBI tocoferoles ChEBI tocopherols ChEBI chebi_ontology toluates CHEBI:27021 toluate toluates ChEBI Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group. chebi_ontology CHEBI:27024 toluenes Poisonous substance produced by a biological organism such as a microbe, animal or plant. Wikipedia:Toxin toxin chebi_ontology toxins CHEBI:27026 toxin toxin IUPAC toxins ChEBI Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Wikipedia:Micronutrient chebi_ontology micronutrients trace elements CHEBI:27027 micronutrient micronutrients ChEBI trace elements ChEBI An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell. transition element chebi_ontology Uebergangselement Uebergangsmetalle metal de transicion metal de transition metales de transicion metaux de transition transition element transition elements transition metal transition metals CHEBI:27081 transition element atom transition element IUPAC Uebergangselement ChEBI Uebergangsmetalle ChEBI metal de transicion ChEBI metal de transition ChEBI metales de transicion ChEBI metaux de transition ChEBI transition element ChEBI transition elements ChEBI transition metal ChEBI transition metals ChEBI A disaccharide formed by a (1<->1)-glycosidic bond between two units of D-glucose. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1 HDTRYLNUVZCQOY-MFAKQEFJSA-N 342.29650 342.11621 OC[C@H]1OC(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O chebi_ontology CHEBI:27082 trehalose trehalose chebi_ontology trehalose phosphates CHEBI:27084 trehalose phosphate trehalose phosphates ChEBI 0 C12H28Sn InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;; DBGVGMSCBYYSLD-UHFFFAOYSA-N 291.06072 292.12130 [H][Sn](CCCC)(CCCC)CCCC Beilstein:3587329 CAS:688-73-3 Gmelin:4258 UM-BBD_compID:c0579 tributylstannane chebi_ontology SnBu3H TBT Tri-n-butyltin Tri-n-butyltin hydride Tributyltin [Sn(Bu)3H] CHEBI:27086 tributylstannane Beilstein:3587329 Beilstein CAS:688-73-3 ChemIDplus CAS:688-73-3 NIST Chemistry WebBook Gmelin:4258 Gmelin UM-BBD_compID:c0579 UM-BBD tributylstannane IUPAC SnBu3H IUPAC TBT UM-BBD Tri-n-butyltin UM-BBD Tri-n-butyltin hydride NIST_Chemistry_WebBook Tributyltin ChemIDplus [Sn(Bu)3H] ChEBI A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups. 0 C12H13N3O2 InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2 PXSOHRWMIRDKMP-UHFFFAOYSA-N 231.25050 231.10078 O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1 CAS:68-76-8 Drug_Central:4372 KEGG:C19542 KEGG:D07254 PMID:146335 PMID:20371239 PMID:362189 PMID:3672382 PMID:582920 PMID:624547 PMID:74416 Reaxys:238057 Wikipedia:Triaziquone 2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone chebi_ontology 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine 2,3,5-Ethylenimine-1,4-benzoquinone 2,3,5-Tri(1-aziridinyl)-p-benzoquinone 2,3,5-Tri-(1-aziridinyl)-p-benzoquinone 2,3,5-Triethyleneimino-1,4-benzoquinone 2,3,5-Tris(1-aziridino)-p-benzoquinone 2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione 2,3,5-Tris(1-aziridinyl)-p-benzoquinone 2,3,5-Tris(aziridino)-1,4-benzoquinone 2,3,5-Tris(ethyleneimino)-1,4-benzoquinone 2,3,5-Tris(ethylenimino)-1,4-benzoquinone 2,3,5-Tris(ethylenimino)-p-benzoquinone 2,3,5-Tris(ethylenimino)benzoquinone 2,3,5-Trisethyleneiminobenzoquinone Triazichon Triaziquonum Triethyleneaminobenzoquinone Tris(1-aziridinyl)-p-benzoquinone Tris(aziridinyl)-p-benzoquinone Tris(aziridinyl)-para-benzoquinone Tris(ethyleneimino)benzoquinone triazicuona triaziquone CHEBI:27090 triaziquone CAS:68-76-8 ChemIDplus CAS:68-76-8 KEGG COMPOUND CAS:68-76-8 NIST Chemistry WebBook Drug_Central:4372 DrugCentral PMID:146335 Europe PMC PMID:20371239 Europe PMC PMID:362189 Europe PMC PMID:3672382 Europe PMC PMID:582920 Europe PMC PMID:624547 Europe PMC PMID:74416 Europe PMC Reaxys:238057 Reaxys 2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone IUPAC 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine ChemIDplus 2,3,5-Ethylenimine-1,4-benzoquinone NIST_Chemistry_WebBook 2,3,5-Tri(1-aziridinyl)-p-benzoquinone NIST_Chemistry_WebBook 2,3,5-Tri-(1-aziridinyl)-p-benzoquinone ChemIDplus 2,3,5-Triethyleneimino-1,4-benzoquinone ChemIDplus 2,3,5-Tris(1-aziridino)-p-benzoquinone ChemIDplus 2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione NIST_Chemistry_WebBook 2,3,5-Tris(1-aziridinyl)-p-benzoquinone ChemIDplus 2,3,5-Tris(aziridino)-1,4-benzoquinone ChemIDplus 2,3,5-Tris(ethyleneimino)-1,4-benzoquinone ChemIDplus 2,3,5-Tris(ethylenimino)-1,4-benzoquinone ChemIDplus 2,3,5-Tris(ethylenimino)-p-benzoquinone ChemIDplus 2,3,5-Tris(ethylenimino)benzoquinone ChemIDplus 2,3,5-Trisethyleneiminobenzoquinone ChemIDplus Triazichon ChemIDplus Triaziquonum ChemIDplus Triethyleneaminobenzoquinone ChemIDplus Tris(1-aziridinyl)-p-benzoquinone ChemIDplus Tris(aziridinyl)-p-benzoquinone NIST_Chemistry_WebBook Tris(aziridinyl)-para-benzoquinone KEGG_COMPOUND Tris(ethyleneimino)benzoquinone ChemIDplus triazicuona ChemIDplus triaziquone KEGG_DRUG triaziquone WHO_MedNet chebi_ontology tricarboxylate tricarboxylates tricarboxylic acid trianions CHEBI:27092 tricarboxylic acid trianion tricarboxylate ChEBI tricarboxylates ChEBI tricarboxylic acid trianions ChEBI An oxoacid containing three carboxy groups. 0 C3H3O6R 135.052 134.99296 Wikipedia:Tricarboxylic_acid chebi_ontology Tricarbonsaeure Trikarbonsaeure tricarboxylic acids CHEBI:27093 tricarboxylic acid Tricarbonsaeure ChEBI Trikarbonsaeure ChEBI tricarboxylic acids ChEBI Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions. 0 C6H3Cl3 181.447 179.93003 Wikipedia:Trichlorobenzene trichlorobenzene chebi_ontology Trichlorbenzol CHEBI:27096 trichlorobenzene trichlorobenzene IUPAC Trichlorbenzol ChEBI Any one of the six possible isomers of trichlorophenol. Wikipedia:Trichlorophenol chebi_ontology CHEBI:27102 trichlorophenol 0 C3H9AsO InChI=1S/C3H9AsO/c1-4(2,3)5/h1-3H3 JWOWJQPAYGEFFK-UHFFFAOYSA-N 136.02456 135.98693 C[As](C)(C)=O Beilstein:1734788 CAS:4964-14-1 Gmelin:164299 UM-BBD_compID:c0754 trimethylarsane oxide trimethylarsine oxide chebi_ontology (CH3)3As=O CHEBI:27131 trimethylarsine oxide Beilstein:1734788 Beilstein CAS:4964-14-1 ChemIDplus CAS:4964-14-1 NIST Chemistry WebBook Gmelin:164299 Gmelin UM-BBD_compID:c0754 UM-BBD trimethylarsane oxide IUPAC trimethylarsine oxide UM-BBD (CH3)3As=O IUPAC chebi_ontology trimethylxanthines CHEBI:27134 trimethylxanthine trimethylxanthines ChEBI chebi_ontology CHEBI:27135 trinitrotoluene A chemical compound containing three hydroxy groups. chebi_ontology triols CHEBI:27136 triol triols ChEBI Wikipedia:Trisaccharide chebi_ontology trisaccharides CHEBI:27150 trisaccharide trisaccharides ChEBI +3 0.00000 [*+3] chebi_ontology monoatomic trications trivalent inorganic cations CHEBI:27153 monoatomic trication monoatomic trications ChEBI trivalent inorganic cations ChEBI Tryptamine and its substitution derivatives. chebi_ontology CHEBI:27162 tryptamines chebi_ontology heterobicyclic compounds organic heterobicyclic compounds CHEBI:27171 organic heterobicyclic compound heterobicyclic compounds ChEBI organic heterobicyclic compounds ChEBI A proteinogenic amino acid derivative resulting from reaction of L-tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-tyrosine by a heteroatom. chebi_ontology L-tyrosine derivatives CHEBI:27177 L-tyrosine derivative L-tyrosine derivatives ChEBI A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid. chebi_ontology univalent acyl group univalent carboacyl groups univalent carboxylic acyl groups CHEBI:27207 univalent carboacyl group univalent acyl group ChEBI univalent carboacyl groups ChEBI univalent carboxylic acyl groups ChEBI Any fatty acid containing at least one C=C or C#C bond. LIPID_MAPS_class:LMFA0103 PMID:5322381 chebi_ontology alkene acid olefinic acid unsaturated fatty acids CHEBI:27208 unsaturated fatty acid LIPID_MAPS_class:LMFA0103 LIPID MAPS PMID:5322381 Europe PMC alkene acid ChEBI olefinic acid ChEBI unsaturated fatty acids ChEBI unsaturated fatty acids LIPID_MAPS A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N 117.14638 117.07898 CC(C)C(N)C(O)=O Beilstein:506689 CAS:516-06-3 Gmelin:49877 KEGG:C16436 PMID:17190852 PMID:22770225 Reaxys:506689 Wikipedia:Valine valine chebi_ontology 2-amino-3-methylbutanoic acid DL-valine Hval Valin valina CHEBI:27266 valine Beilstein:506689 Beilstein CAS:516-06-3 ChemIDplus CAS:516-06-3 KEGG COMPOUND CAS:516-06-3 NIST Chemistry WebBook Gmelin:49877 Gmelin PMID:17190852 Europe PMC PMID:22770225 Europe PMC Reaxys:506689 Reaxys valine IUPAC 2-amino-3-methylbutanoic acid IUPAC DL-valine ChEBI Hval IUPAC Valin ChEBI valina ChEBI An amino acid derivative resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of valine by a heteroatom. The definition normally excludes peptides containing valine residues. chebi_ontology CHEBI:27267 valine derivative 0 H3O4V InChI=1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3 WQEVDHBJGNOKKO-UHFFFAOYSA-K 117.96292 117.94709 [H]O[V](=O)(O[H])O[H] Gmelin:82029 trihydrogen(tetraoxidovanadate) trihydroxidooxidovanadium chebi_ontology H3VO4 Vanadiumsaeure [VO(OH)3] CHEBI:27273 vanadic acid Gmelin:82029 Gmelin trihydrogen(tetraoxidovanadate) IUPAC trihydroxidooxidovanadium IUPAC H3VO4 IUPAC Vanadiumsaeure ChEBI [VO(OH)3] IUPAC vanadium molecular entity chebi_ontology vanadium compounds vanadium molecular entities CHEBI:27275 vanadium molecular entity vanadium molecular entity ChEBI vanadium compounds ChEBI vanadium molecular entities ChEBI A fatty acid which has a chain length greater than C22. Very long-chain fatty acids which have a chain length greater than C27 are also known as ultra-long-chain fatty acids. 0 CH2OR 45.017 44.99765 OC([*])=O LIPID_MAPS_instance:LMFA01010025 chebi_ontology VLCFA VLCFAs higher fatty acid very long-chain fatty acids CHEBI:27283 very long-chain fatty acid LIPID_MAPS_instance:LMFA01010025 LIPID MAPS VLCFA ChEBI VLCFAs ChEBI higher fatty acid ChEBI very long-chain fatty acids ChEBI Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body. vitamin d http://langual.org MetaCyc:Vitamin-D Wikipedia:Vitamin_D http://www.langual.org/langual_thesaurus.asp?termid=B3752 chebi_ontology D vitamins vitamin D vitamer vitamin D vitamers vitamin Ds vitamins D CHEBI:27300 vitamin D D vitamins ChEBI vitamin D vitamer ChEBI vitamin D vitamers ChEBI vitamin Ds ChEBI vitamins D ChEBI Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms). vitamin b6 http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3759 Vitamin B6 chebi_ontology vitamin B-6 vitamin B6 vitamer vitamin B6 vitamers vitamina B6 vitamine B6 vitamins B6 CHEBI:27306 vitamin B6 Vitamin B6 ChEBI vitamin B-6 JCBN vitamin B6 vitamer ChEBI vitamin B6 vitamers ChEBI vitamina B6 ChEBI vitamine B6 ChEBI vitamins B6 ChEBI Any plant metabolite that is found naturally as a component of a volatile oil. Wikipedia:Essential_oil chebi_ontology essential oil component essential oil components ethereal oil component ethereal oil components volatile oil components CHEBI:27311 volatile oil component essential oil component ChEBI essential oil components ChEBI ethereal oil component ChEBI ethereal oil components ChEBI volatile oil components ChEBI Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. chebi_ontology wasserloesliche Vitamine water-soluble vitamin water-soluble vitamins CHEBI:27314 water-soluble vitamin (role) wasserloesliche Vitamine ChEBI water-soluble vitamin ChEBI water-soluble vitamins ChEBI 0 C8H10 106.165 106.07825 CAS:1330-20-7 KEGG:C19551 Wikipedia:Xylene xylene chebi_ontology Dimethylbenzol Xylol Xylole dimethylbenzene methyl toluene methyltoluene xileno xilenos xylenes CHEBI:27338 xylene CAS:1330-20-7 ChemIDplus CAS:1330-20-7 KEGG COMPOUND xylene ChEBI xylene IUPAC Dimethylbenzol ChEBI Xylol ChemIDplus Xylole ChemIDplus dimethylbenzene IUPAC methyl toluene ChemIDplus methyltoluene ChemIDplus xileno ChEBI xilenos ChEBI xylenes ChemIDplus chebi_ontology CHEBI:27358 yohimban alkaloid 0 Zn InChI=1S/Zn HCHKCACWOHOZIP-UHFFFAOYSA-N 65.39000 63.92914 [Zn] CAS:7440-66-6 Gmelin:16321 KEGG:C00038 PDBeChem:ZN WebElements:Zn zinc chebi_ontology 30Zn Zink Zn Zn(II) Zn2+ cinc zinc zincum CHEBI:27363 zinc atom CAS:7440-66-6 ChemIDplus CAS:7440-66-6 KEGG COMPOUND Gmelin:16321 Gmelin zinc IUPAC 30Zn IUPAC Zink ChEBI Zn IUPAC Zn(II) KEGG_COMPOUND Zn2+ KEGG_COMPOUND cinc ChEBI zinc ChEBI zincum ChEBI chebi_ontology zinc compounds zinc molecular entities CHEBI:27364 zinc molecular entity zinc compounds ChEBI zinc molecular entities ChEBI zinc ion chebi_ontology zinc ions CHEBI:27365 zinc ion zinc ion ChEBI zinc ions ChEBI A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer). zwitterion zwitterions chebi_ontology compose zwitterionique compuestos zwitterionicos zwitteriones zwitterionic compounds CHEBI:27369 zwitterion zwitterion IUPAC zwitterions IUPAC compose zwitterionique IUPAC compuestos zwitterionicos IUPAC zwitteriones IUPAC zwitterionic compounds IUPAC An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. 0 CH4O3S InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) AFVFQIVMOAPDHO-UHFFFAOYSA-N 96.10666 95.98812 CS(O)(=O)=O CHEBI:6813 Beilstein:1446024 CAS:75-75-2 Gmelin:1681 KEGG:C11145 MetaCyc:CPD-3746 PMID:24304088 PMID:24593036 Reaxys:1446024 Wikipedia:Methanesulfonic_acid Methanesulfonic acid methanesulfonic acid chebi_ontology Methansulfonsaeure methylsulfonic acid CHEBI:27376 methanesulfonic acid Beilstein:1446024 Beilstein CAS:75-75-2 ChemIDplus CAS:75-75-2 KEGG COMPOUND CAS:75-75-2 NIST Chemistry WebBook Gmelin:1681 Gmelin PMID:24304088 Europe PMC PMID:24593036 Europe PMC Reaxys:1446024 Reaxys Methanesulfonic acid KEGG_COMPOUND methanesulfonic acid IUPAC Methansulfonsaeure ChEBI methylsulfonic acid NIST_Chemistry_WebBook A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. 0 CCl4 InChI=1S/CCl4/c2-1(3,4)5 VZGDMQKNWNREIO-UHFFFAOYSA-N 153.82300 151.87541 ClC(Cl)(Cl)Cl CHEBI:23015 CHEBI:3400 Beilstein:1098295 CAS:56-23-5 Drug_Central:3067 Gmelin:2347 HMDB:HMDB0031330 KEGG:C07561 LINCS:LSM-37019 PMID:24395137 PMID:24726765 PPDB:1350 Reaxys:1098295 UM-BBD_compID:c0486 Wikipedia:Carbon_Tetrachloride Tetrachloromethane tetrachloromethane chebi_ontology CCl4 Carbon tetrachloride Kohlenstofftetrachlorid Tetra Tetrachlorkohlenstoff Tetrachlormethan tetrachloridocarbon CHEBI:27385 tetrachloromethane Beilstein:1098295 Beilstein CAS:56-23-5 ChemIDplus CAS:56-23-5 KEGG COMPOUND CAS:56-23-5 NIST Chemistry WebBook Drug_Central:3067 DrugCentral Gmelin:2347 Gmelin PMID:24395137 Europe PMC PMID:24726765 Europe PMC Reaxys:1098295 Reaxys UM-BBD_compID:c0486 UM-BBD Tetrachloromethane KEGG_COMPOUND tetrachloromethane IUPAC CCl4 IUPAC Carbon tetrachloride KEGG_COMPOUND Kohlenstofftetrachlorid ChEBI Tetra ChEBI Tetrachlorkohlenstoff ChEBI Tetrachlormethan NIST_Chemistry_WebBook tetrachloridocarbon IUPAC An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups. 0 C8H18N6O4 InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6- MSXMXWJPFIDEMT-FAEUDGQSSA-N 262.26630 262.13895 NC(=N)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@@H]1O CHEBI:26781 CHEBI:9280 CAS:85-17-6 HMDB:HMDB0258506 KEGG:C00837 MetaCyc:CPD-10148 PMID:11642734 PMID:15736038 PMID:16956741 PMID:17011831 PMID:17609790 PMID:6076630 Reaxys:2816623 1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine Streptidine chebi_ontology 1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine 1,3-diguanidino-2,4,5,6-cyclohexanetetrol N,N'-bis(aminoiminomethyl)streptamine N,N'-diamidinostreptamine Streptamine, N,N'-bis(aminoiminomethyl)- streptidin CHEBI:27405 streptidine CAS:85-17-6 ChemIDplus CAS:85-17-6 KEGG COMPOUND PMID:11642734 Europe PMC PMID:15736038 Europe PMC PMID:16956741 Europe PMC PMID:17011831 Europe PMC PMID:17609790 Europe PMC PMID:6076630 Europe PMC Reaxys:2816623 Reaxys 1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine IUPAC N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine IUPAC Streptidine KEGG_COMPOUND 1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine ChemIDplus 1,3-diguanidino-2,4,5,6-cyclohexanetetrol ChEBI N,N'-bis(aminoiminomethyl)streptamine ChEBI N,N'-diamidinostreptamine ChEBI Streptamine, N,N'-bis(aminoiminomethyl)- ChemIDplus streptidin ChemIDplus A xylene with methyl groups at positions 1 and 4. 0 C8H10 InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 URLKBWYHVLBVBO-UHFFFAOYSA-N 106.16500 106.07825 Cc1ccc(C)cc1 CHEBI:10633 CHEBI:25832 CHEBI:45248 Beilstein:1901563 CAS:106-42-3 DrugBank:DB03463 Gmelin:2697 HMDB:HMDB0059924 KEGG:C06756 MetaCyc:CPD-1422 PDBeChem:PXY PMID:23316419 PMID:24028095 Reaxys:1901563 UM-BBD_compID:c0083 Wikipedia:P-Xylene 1,4-xylene p-Xylene p-xylene chebi_ontology 1,4-Dimethylbenzene 1,4-Dimethylbenzol 4-methyltoluene 4-xylene PARA-XYLENE p-Methyltoluene p-Xylol p-dimethylbenzene para-xylene CHEBI:27417 p-xylene Beilstein:1901563 Beilstein CAS:106-42-3 ChemIDplus CAS:106-42-3 KEGG COMPOUND CAS:106-42-3 NIST Chemistry WebBook Gmelin:2697 Gmelin PMID:23316419 Europe PMC PMID:24028095 Europe PMC Reaxys:1901563 Reaxys UM-BBD_compID:c0083 UM-BBD 1,4-xylene IUPAC p-Xylene KEGG_COMPOUND p-xylene UniProt 1,4-Dimethylbenzene KEGG_COMPOUND 1,4-Dimethylbenzol ChEBI 4-methyltoluene NIST_Chemistry_WebBook 4-xylene ChemIDplus PARA-XYLENE PDBeChem p-Methyltoluene KEGG_COMPOUND p-Xylol NIST_Chemistry_WebBook p-dimethylbenzene NIST_Chemistry_WebBook para-xylene NIST_Chemistry_WebBook A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. 0 C8H8 InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 PPBRXRYQALVLMV-UHFFFAOYSA-N 104.14912 104.06260 C=Cc1ccccc1 CHEBI:26796 CHEBI:9296 Beilstein:1071236 CAS:100-42-5 Gmelin:2991 HMDB:HMDB0034240 KEGG:C07083 MetaCyc:CPD-1092 PMID:11934013 PMID:24320693 Reaxys:1071236 UM-BBD_compID:c0115 Wikipedia:Styrene Styrene styrene chebi_ontology Phenylethylene Styren Styrol ethenylbenzene phenylethene vinylbenzene CHEBI:27452 styrene Beilstein:1071236 Beilstein CAS:100-42-5 ChemIDplus CAS:100-42-5 KEGG COMPOUND CAS:100-42-5 NIST Chemistry WebBook Gmelin:2991 Gmelin PMID:11934013 Europe PMC PMID:24320693 Europe PMC Reaxys:1071236 Reaxys UM-BBD_compID:c0115 UM-BBD Styrene KEGG_COMPOUND styrene IUPAC styrene UniProt Phenylethylene KEGG_COMPOUND Styren NIST_Chemistry_WebBook Styrol NIST_Chemistry_WebBook ethenylbenzene NIST_Chemistry_WebBook phenylethene NIST_Chemistry_WebBook vinylbenzene ChEBI A chlorophenylethylene that is chloroethene in which the methylene hydrogens are replaced by 4-chlorophenyl groups. 0 C14H9Cl3 InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H LNKQQZFLNUVWQQ-UHFFFAOYSA-N 283.58000 281.97698 ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 CHEBI:19035 CHEBI:619 Beilstein:1461623 CAS:1022-22-6 KEGG:C06637 PMID:21792584 PMID:23146667 Reaxys:1461623 UM-BBD_compID:c0430 1-Chloro-2,2-bis(4'-chlorophenyl)ethylene chebi_ontology 1,1-Bis(p-chlorophenyl)-2-chloroethene 1,1-Bis(p-chlorophenyl)-2-chloroethylene 1,1-bis(4-chlorophenyl)-2-chloroethylene 1-Chloro-2,2-bis(p-chlorophenyl)ethylene 2,2-Bis(4-chlorophenyl)-1-chloroethylene 2,2-Bis(p-chlorophenyl)-1-chloroethylene 4,4'-DDMU DDMU CHEBI:27454 1-chloro-2,2-bis(4'-chlorophenyl)ethylene Beilstein:1461623 Beilstein CAS:1022-22-6 ChemIDplus CAS:1022-22-6 KEGG COMPOUND PMID:21792584 Europe PMC PMID:23146667 Europe PMC Reaxys:1461623 Reaxys UM-BBD_compID:c0430 UM-BBD 1-Chloro-2,2-bis(4'-chlorophenyl)ethylene KEGG_COMPOUND 1,1-Bis(p-chlorophenyl)-2-chloroethene ChemIDplus 1,1-Bis(p-chlorophenyl)-2-chloroethylene ChemIDplus 1,1-bis(4-chlorophenyl)-2-chloroethylene ChEBI 1-Chloro-2,2-bis(p-chlorophenyl)ethylene ChemIDplus 2,2-Bis(4-chlorophenyl)-1-chloroethylene ChemIDplus 2,2-Bis(p-chlorophenyl)-1-chloroethylene ChemIDplus 4,4'-DDMU ChEBI DDMU KEGG_COMPOUND A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of trichloroacetic acid. -1 C2Cl3O2 InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1 YNJBWRMUSHSURL-UHFFFAOYSA-M 162.37830 160.89694 [O-]C(=O)C(Cl)(Cl)Cl CHEBI:27094 Beilstein:3588433 CAS:14357-05-2 Gmelin:200855 MetaCyc:CPD-9675 Reaxys:3588433 UM-BBD_compID:c0016 trichloroacetate chebi_ontology 2,2,2-trichloroacetate trichloroacetate anion trichloroacetate(1-) trichloroacetic acid, ion(1-) CHEBI:27455 trichloroacetate Beilstein:3588433 Beilstein CAS:14357-05-2 ChemIDplus Gmelin:200855 Gmelin Reaxys:3588433 Reaxys UM-BBD_compID:c0016 UM-BBD trichloroacetate IUPAC 2,2,2-trichloroacetate ChEBI trichloroacetate anion ChEBI trichloroacetate(1-) ChemIDplus trichloroacetic acid, ion(1-) ChemIDplus An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. folic acid http://langual.org 0 C19H19N7O6 InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-N 441.39750 441.13968 Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 CHEBI:24075 CHEBI:42610 CHEBI:5140 CHEBI:569217 AGR:IND606960789 Beilstein:100781 CAS:59-30-3 Chemspider:5815 DrugBank:DB00158 Drug_Central:1231 FooDB:FDB014504 HMDB:HMDB0000121 KEGG:C00504 KEGG:D00070 KNApSAcK:C00001539 LINCS:LSM-5355 MetaCyc:CPD-12826 PDBeChem:FOL PMID:10138938 PMID:10897644 PMID:10958818 PMID:11261364 PMID:11451208 PMID:11959400 PMID:14387833 PMID:15321809 PMID:15523939 PMID:15754725 PMID:15797531 PMID:15797685 PMID:15831910 PMID:15990733 PMID:16093404 PMID:16277678 PMID:16380297 PMID:16871332 PMID:17784727 PMID:18788725 PMID:19121630 PMID:19335717 PMID:19355913 PMID:24650098 PMID:33624660 PMID:33965562 PMID:33968971 PMID:34207319 PMID:34219855 PMID:7738698 PMID:8235383 PMID:9040515 PMID:9420019 PMID:9565830 PMID:9683174 PMID:9781393 PMID:9808640 PMID:9808641 Reaxys:100781 Wikipedia:Folic_Acid http://www.langual.org/langual_thesaurus.asp?termid=B3760 N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid chebi_ontology (2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid Acfol Folate Folicet Folsaeure N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid N-pteroyl-L-glutamic acid PGA PteGlu acide folique acido folico acidum folicum b9 folate folic acid pteroyl-L-glutamic acid pteroyl-L-monoglutamic acid pteroylglutamic acid pteroylmonoglutamic acid vitamin B11 vitamin B9 vitamin Bc vitamin Be vitamin M CHEBI:27470 LanguaL curation note: Used when folic acid is added at any level. Always use this term for enriched flour or rice, enriched bakery products, and enriched macaroni or noodle products. (21 CFR 137. 610(a), 21 CFR 136.115(a)(1), and others). folic acid folic acid AGR:IND606960789 Europe PMC Beilstein:100781 Beilstein CAS:59-30-3 ChemIDplus CAS:59-30-3 KEGG COMPOUND CAS:59-30-3 NIST Chemistry WebBook Drug_Central:1231 DrugCentral PMID:10138938 Europe PMC PMID:10897644 Europe PMC PMID:10958818 Europe PMC PMID:11261364 Europe PMC PMID:11451208 Europe PMC PMID:11959400 Europe PMC PMID:14387833 Europe PMC PMID:15321809 Europe PMC PMID:15523939 Europe PMC PMID:15754725 Europe PMC PMID:15797531 Europe PMC PMID:15797685 Europe PMC PMID:15831910 Europe PMC PMID:15990733 Europe PMC PMID:16093404 Europe PMC PMID:16277678 Europe PMC PMID:16380297 Europe PMC PMID:16871332 Europe PMC PMID:17784727 Europe PMC PMID:18788725 ChEMBL PMID:19121630 Europe PMC PMID:19335717 Europe PMC PMID:19355913 Europe PMC PMID:24650098 Europe PMC PMID:33624660 Europe PMC PMID:33965562 Europe PMC PMID:33968971 Europe PMC PMID:34207319 Europe PMC PMID:34219855 Europe PMC PMID:7738698 Europe PMC PMID:8235383 Europe PMC PMID:9040515 Europe PMC PMID:9420019 Europe PMC PMID:9565830 Europe PMC PMID:9683174 Europe PMC PMID:9781393 Europe PMC PMID:9808640 Europe PMC PMID:9808641 Europe PMC Reaxys:100781 Reaxys N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid IUPAC (2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid IUPAC Acfol ChemIDplus Folate KEGG_COMPOUND Folicet KEGG_DRUG Folsaeure ChEBI N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid PDBeChem N-pteroyl-L-glutamic acid ChEBI PGA NIST_Chemistry_WebBook PteGlu NIST_Chemistry_WebBook acide folique WHO_MedNet acido folico WHO_MedNet acidum folicum WHO_MedNet folic acid WHO_MedNet pteroyl-L-glutamic acid ChemIDplus pteroyl-L-monoglutamic acid ChemIDplus pteroylglutamic acid KEGG_COMPOUND pteroylmonoglutamic acid ChemIDplus vitamin B11 ChemIDplus vitamin B9 ChemIDplus vitamin Bc ChemIDplus vitamin Be ChemIDplus vitamin M ChemIDplus The D-enantiomer of valine. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1 KZSNJWFQEVHDMF-SCSAIBSYSA-N 117.14638 117.07898 CC(C)[C@@H](N)C(O)=O CHEBI:21112 CHEBI:4261 Beilstein:1721135 CAS:640-68-6 Gmelin:82413 KEGG:C06417 MetaCyc:CPD-3642 PDBeChem:DVA PMID:13465080 PMID:23085840 PMID:236834 PMID:7118128 Reaxys:1721135 D-Valine D-valine chebi_ontology (2R)-2-amino-3-methylbutanoic acid (R)-2-Amino-3-methylbutyric acid (R)-valine D-Valin DVA CHEBI:27477 D-valine Beilstein:1721135 Beilstein CAS:640-68-6 ChemIDplus CAS:640-68-6 KEGG COMPOUND CAS:640-68-6 NIST Chemistry WebBook Gmelin:82413 Gmelin PMID:13465080 Europe PMC PMID:23085840 Europe PMC PMID:236834 Europe PMC PMID:7118128 Europe PMC Reaxys:1721135 Reaxys D-Valine KEGG_COMPOUND D-valine IUPAC (2R)-2-amino-3-methylbutanoic acid IUPAC (R)-2-Amino-3-methylbutyric acid KEGG_COMPOUND (R)-valine NIST_Chemistry_WebBook D-Valin ChEBI DVA PDBeChem A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. 0 C7H12ClN5 InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) ODCWYMIRDDJXKW-UHFFFAOYSA-N 201.65658 201.07812 CCNc1nc(Cl)nc(NCC)n1 CHEBI:26679 CHEBI:9146 Beilstein:10895 CAS:122-34-9 KEGG:C11172 LINCS:LSM-19997 MetaCyc:CPD-9355 PMID:12791541 PMID:14640584 PMID:15149137 PMID:19101008 PPDB:592 Pesticides:simazine Reaxys:10895 UM-BBD_compID:c0254 Wikipedia:Simazine 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine Simazine chebi_ontology 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine 2,4-bis(ethylamino)-6-chloro-s-triazine 2-chloro-4,6-bis(ethylamino)-1,3,5-triazine 2-chloro-4,6-bis(ethylamino)-s-triazine 6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine 6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine Gesatop Princep Simanex CHEBI:27496 simazine Beilstein:10895 Beilstein CAS:122-34-9 ChemIDplus CAS:122-34-9 KEGG COMPOUND CAS:122-34-9 NIST Chemistry WebBook PMID:12791541 Europe PMC PMID:14640584 Europe PMC PMID:15149137 Europe PMC PMID:19101008 Europe PMC Pesticides:simazine Alan Wood's Pesticides Reaxys:10895 Reaxys UM-BBD_compID:c0254 UM-BBD 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine IUPAC Simazine KEGG_COMPOUND 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine NIST_Chemistry_WebBook 2,4-bis(ethylamino)-6-chloro-s-triazine ChemIDplus 2-chloro-4,6-bis(ethylamino)-1,3,5-triazine NIST_Chemistry_WebBook 2-chloro-4,6-bis(ethylamino)-s-triazine ChemIDplus 6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine ChemIDplus 6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine NIST_Chemistry_WebBook Gesatop ChemIDplus Princep ChemIDplus Simanex ChemIDplus An aminobenzenesulfonic acid that is aniline sulfonated at the para-position. 0 C6H7NO3S InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) HVBSAKJJOYLTQU-UHFFFAOYSA-N 173.19000 173.01466 Nc1ccc(cc1)S(O)(=O)=O CHEBI:1782 Beilstein:908765 CAS:121-57-3 Drug_Central:3562 Gmelin:101735 KEGG:C06335 MetaCyc:CPD-10427 PMID:22764117 PMID:2434548 PMID:24435205 PMID:25259503 PMID:7200051 Reaxys:908765 Wikipedia:Sulfanilic_acid 4-Aminobenzenesulfonic acid 4-aminobenzenesulfonic acid chebi_ontology Sulfanilic acid Sulfanilsaeure aniline-p-sulfonic acid aniline-p-sulphonic acid p-Aminobenzenesulfonic acid p-aminophenylsulfonic acid sulphanilic acid CHEBI:27500 4-aminobenzenesulfonic acid Beilstein:908765 Beilstein CAS:121-57-3 ChemIDplus CAS:121-57-3 KEGG COMPOUND CAS:121-57-3 NIST Chemistry WebBook Drug_Central:3562 DrugCentral Gmelin:101735 Gmelin PMID:22764117 Europe PMC PMID:2434548 Europe PMC PMID:24435205 Europe PMC PMID:25259503 Europe PMC PMID:7200051 Europe PMC Reaxys:908765 Reaxys 4-Aminobenzenesulfonic acid KEGG_COMPOUND 4-aminobenzenesulfonic acid IUPAC Sulfanilic acid KEGG_COMPOUND Sulfanilsaeure ChEBI aniline-p-sulfonic acid NIST_Chemistry_WebBook aniline-p-sulphonic acid NIST_Chemistry_WebBook p-Aminobenzenesulfonic acid KEGG_COMPOUND p-aminophenylsulfonic acid NIST_Chemistry_WebBook sulphanilic acid NIST_Chemistry_WebBook 0 C2H2 InChI=1S/C2H2/c1-2/h1-2H HSFWRNGVRCDJHI-UHFFFAOYSA-N 26.03728 26.01565 C#C CHEBI:22199 CHEBI:2419 CHEBI:42285 Beilstein:906677 CAS:74-86-2 Gmelin:210 KEGG:C01548 MolBase:936 UM-BBD_compID:c0526 Acetylene acetylene ethyne chebi_ontology Acetylen Azetylen C2H2 CH#CH Ethin Ethyne HC#CH HCCH Narcylen [CH(CH)] ethyne vinylene CHEBI:27518 acetylene Beilstein:906677 Beilstein CAS:74-86-2 ChemIDplus CAS:74-86-2 KEGG COMPOUND CAS:74-86-2 NIST Chemistry WebBook Gmelin:210 Gmelin UM-BBD_compID:c0526 UM-BBD Acetylene KEGG_COMPOUND acetylene IUPAC acetylene IUPAC acetylene UniProt ethyne IUPAC Acetylen ChemIDplus Azetylen ChEBI C2H2 NIST_Chemistry_WebBook CH#CH IUPAC Ethin ChEBI Ethyne KEGG_COMPOUND HC#CH ChEBI HCCH ChEBI Narcylen ChemIDplus [CH(CH)] MolBase ethyne ChEBI vinylene NIST_Chemistry_WebBook Any L-cysteine derivative obtained by conversion of the thiol group into a sulfide. CHEBI:23510 CHEBI:4051 chebi_ontology L-cysteine thioethers cysteine thioether CHEBI:27532 L-cysteine thioether L-cysteine thioethers ChEBI cysteine thioether ChEBI 0 B InChI=1S/B ZOXJGFHDIHLPTG-UHFFFAOYSA-N 10.81100 11.00930 [B] CHEBI:22915 CHEBI:3152 CAS:7440-42-8 KEGG:C06266 WebElements:B boron chebi_ontology 5B B Bor Boron boracium bore boro boron CHEBI:27560 boron atom CAS:7440-42-8 ChemIDplus CAS:7440-42-8 KEGG COMPOUND boron IUPAC 5B IUPAC B KEGG_COMPOUND Bor ChEBI Boron KEGG_COMPOUND boracium ChEBI bore ChEBI boro ChEBI boron ChEBI A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. 0 C2H4O InChI=1S/C2H4O/c1-2-3-1/h1-2H2 IAYPIBMASNFSPL-UHFFFAOYSA-N 44.05256 44.02621 C1CO1 CHEBI:24001 CHEBI:4900 Beilstein:102378 CAS:75-21-8 Gmelin:676 HMDB:HMDB0031305 KEGG:C06548 KEGG:D03474 PMID:11437638 PMID:24313866 PMID:24882394 PMID:25005741 PMID:3932500 Reaxys:102378 UM-BBD_compID:c0527 Wikipedia:Oxirane oxirane chebi_ontology 1,2-Epoxyaethan 1,2-epoxyethane Aethylenoxid Amprolene Anprolene Anproline Dihydrooxirene Dimethylene oxide ETO Ethylene oxide Oxacyclopropane Oxane Oxidoethane Oxyfume epoxyethane ethene oxide oxyde d'ethylene CHEBI:27561 oxirane Beilstein:102378 Beilstein CAS:75-21-8 ChemIDplus CAS:75-21-8 KEGG COMPOUND CAS:75-21-8 NIST Chemistry WebBook Gmelin:676 Gmelin PMID:11437638 Europe PMC PMID:24313866 Europe PMC PMID:24882394 Europe PMC PMID:25005741 Europe PMC PMID:3932500 Europe PMC Reaxys:102378 Reaxys UM-BBD_compID:c0527 UM-BBD oxirane IUPAC 1,2-Epoxyaethan ChemIDplus 1,2-epoxyethane NIST_Chemistry_WebBook Aethylenoxid ChemIDplus Amprolene ChemIDplus Anprolene NIST_Chemistry_WebBook Anproline ChemIDplus Dihydrooxirene ChemIDplus Dimethylene oxide ChemIDplus ETO ChemIDplus Ethylene oxide KEGG_COMPOUND Oxacyclopropane ChemIDplus Oxane ChemIDplus Oxidoethane ChemIDplus Oxyfume ChEBI epoxyethane NIST_Chemistry_WebBook ethene oxide NIST_Chemistry_WebBook oxyde d'ethylene ChemIDplus 0 As InChI=1S/As RQNWIZPPADIBDY-UHFFFAOYSA-N 74.92160 74.92159 [As] CHEBI:22630 CHEBI:2845 CAS:7440-38-2 KEGG:C06269 WebElements:As arsenic chebi_ontology 33As Arsen Arsenic As arsenic arsenico arsenicum CHEBI:27563 arsenic atom CAS:7440-38-2 ChemIDplus CAS:7440-38-2 KEGG COMPOUND arsenic IUPAC 33As IUPAC Arsen ChemIDplus Arsenic KEGG_COMPOUND As KEGG_COMPOUND arsenic ChEBI arsenico ChEBI arsenicum ChEBI 0 Se InChI=1S/Se BUGBHKTXTAQXES-UHFFFAOYSA-N 78.96000 79.91652 [Se] CHEBI:26627 CHEBI:9091 CAS:7782-49-2 DrugBank:DB11135 FooDB:FDB013400 HMDB:HMDB0001349 KEGG:C01529 WebElements:Se Wikipedia:Selenium selenium chebi_ontology 34Se Se Selen Selenium selenio selenium CHEBI:27568 selenium atom CAS:7782-49-2 ChemIDplus CAS:7782-49-2 NIST Chemistry WebBook selenium IUPAC 34Se IUPAC Se IUPAC Selen ChemIDplus Selenium KEGG_COMPOUND selenio ChEBI selenium ChEBI An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. 0 C6H9N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N 155.15468 155.06948 NC(Cc1c[nH]cn1)C(O)=O CHEBI:24598 CHEBI:43118 CHEBI:5733 Beilstein:84087 CAS:4998-57-6 Gmelin:3656 KEGG:C00768 KNApSAcK:C00001363 PMID:17190852 PMID:22264337 PMID:22770225 PMID:29286160 Reaxys:84087 Wikipedia:Histidine 2-amino-3-(1H-imidazol-4-yl)propanoic acid Histidine histidine chebi_ontology DL-Histidine Histidin alpha-Amino-1H-imidazole-4-propionic acid histidina CHEBI:27570 histidine histidine Beilstein:84087 Beilstein CAS:4998-57-6 ChemIDplus Gmelin:3656 Gmelin PMID:17190852 Europe PMC PMID:22264337 Europe PMC PMID:22770225 Europe PMC PMID:29286160 Europe PMC Reaxys:84087 Reaxys 2-amino-3-(1H-imidazol-4-yl)propanoic acid IUPAC Histidine KEGG_COMPOUND histidine IUPAC DL-Histidine KEGG_COMPOUND Histidin ChEBI alpha-Amino-1H-imidazole-4-propionic acid KEGG_COMPOUND histidina ChEBI 0 Si InChI=1S/Si XUIMIQQOPSSXEZ-UHFFFAOYSA-N 28.08550 27.97693 [Si] CHEBI:26676 CHEBI:9140 CAS:7440-21-3 KEGG:C06263 WebElements:Si silicon chebi_ontology 14Si Si Silicon Silizium silicio silicium silicon CHEBI:27573 silicon atom CAS:7440-21-3 ChemIDplus silicon IUPAC 14Si IUPAC Si IUPAC Si KEGG_COMPOUND Silicon KEGG_COMPOUND Silizium ChEBI silicio ChEBI silicium ChEBI silicon ChEBI A phosphoric ester (phosphate) that has an NR2 instead of an OH group. CHEBI:26050 CHEBI:37718 CHEBI:8144 KEGG:C01976 chebi_ontology Phosphoamide phosphoramidate esters CHEBI:27577 phosphoramidate ester Phosphoamide KEGG_COMPOUND phosphoramidate esters ChEBI A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney. 0 C21H28O5 InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 PQSUYGKTWSAVDQ-ZVIOFETBSA-N 360.44400 360.19367 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO CHEBI:22306 CHEBI:2563 CHEBI:40919 Beilstein:3224996 CAS:52-39-1 DrugBank:DB04630 Drug_Central:111 HMDB:HMDB0000037 KEGG:C01780 LINCS:LSM-42770 LIPID_MAPS_instance:LMST02030026 PDBeChem:AS4 PMID:10438974 Reaxys:3224996 Wikipedia:Aldosterone 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al ALDOSTERONE Aldosterone aldosterone chebi_ontology (+)-aldosterone (11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al CHEBI:27584 aldosterone Beilstein:3224996 ChemIDplus CAS:52-39-1 ChemIDplus CAS:52-39-1 KEGG COMPOUND CAS:52-39-1 NIST Chemistry WebBook Drug_Central:111 DrugCentral LIPID_MAPS_instance:LMST02030026 LIPID MAPS PMID:10438974 Europe PMC Reaxys:3224996 Reaxys 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al IUPAC ALDOSTERONE PDBeChem Aldosterone KEGG_COMPOUND aldosterone UniProt (+)-aldosterone NIST_Chemistry_WebBook (11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al NIST_Chemistry_WebBook 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al KEGG_COMPOUND 0 C InChI=1S/C OKTJSMMVPCPJKN-UHFFFAOYSA-N 12.01070 12.00000 [C] CHEBI:23009 CHEBI:3399 CAS:7440-44-0 KEGG:C06265 WebElements:C carbon chebi_ontology 6C C Carbon Kohlenstoff carbon carbone carbonium carbono CHEBI:27594 carbon atom CAS:7440-44-0 ChemIDplus CAS:7440-44-0 KEGG COMPOUND CAS:7440-44-0 ChemIDplus CAS:7440-44-0 KEGG COMPOUND carbon IUPAC 6C IUPAC C IUPAC C KEGG_COMPOUND Carbon KEGG_COMPOUND Kohlenstoff ChEBI carbon ChEBI carbone ChEBI carbonium ChEBI carbono ChEBI 0 C3H4N2O2 InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7) WJRBRSLFGCUECM-UHFFFAOYSA-N 100.07614 100.02728 O=C1CNC(=O)N1 CHEBI:24625 CHEBI:5773 Beilstein:110598 CAS:461-72-3 Gmelin:101266 KEGG:C05146 PDBeChem:HYN Hydantoin imidazolidine-2,4-dione chebi_ontology 2,4(3H,5H)-imidazoledione 2,4-imidazolidinedione Glycolylurea imidazole-2,4(3H,5H)-dione CHEBI:27612 hydantoin Beilstein:110598 Beilstein CAS:461-72-3 ChemIDplus CAS:461-72-3 KEGG COMPOUND CAS:461-72-3 NIST Chemistry WebBook Gmelin:101266 Gmelin Hydantoin KEGG_COMPOUND imidazolidine-2,4-dione IUPAC 2,4(3H,5H)-imidazoledione NIST_Chemistry_WebBook 2,4-imidazolidinedione NIST_Chemistry_WebBook Glycolylurea KEGG_COMPOUND imidazole-2,4(3H,5H)-dione ChemIDplus A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. 0 C28H40N2O9 InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1 UIFFUZWRFRDZJC-SBOOETFBSA-N 548.633 548.27338 C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O CHEBI:22584 CHEBI:40908 Beilstein:72665 CAS:1397-94-0 CAS:642-15-9 KEGG:C11339 MetaCyc:CPD-5744 PDBeChem:AY1 PMID:16819166 PMID:29790043 PMID:30914247 PMID:31079230 PMID:32662599 (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate chebi_ontology Antimycin A1 Antipiricullin Fintrol Virosin antimycin A1b CHEBI:2762 antimycin A Beilstein:72665 Beilstein CAS:1397-94-0 ChemIDplus CAS:642-15-9 ChemIDplus CAS:642-15-9 KEGG COMPOUND PMID:16819166 Europe PMC PMID:29790043 Europe PMC PMID:30914247 Europe PMC PMID:31079230 Europe PMC PMID:32662599 Europe PMC (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate IUPAC Antimycin A1 KEGG_COMPOUND Antipiricullin ChemIDplus Fintrol ChemIDplus Virosin ChemIDplus antimycin A1b ChEBI A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. 0 C8H8O InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 KWOLFJPFCHCOCG-UHFFFAOYSA-N 120.14852 120.05751 CC(=O)c1ccccc1 CHEBI:22186 CHEBI:2403 CHEBI:40490 CAS:98-86-2 DrugBank:DB04619 HMDB:HMDB0033910 KEGG:C07113 KNApSAcK:C00002685 PMID:10397882 PMID:24634568 UM-BBD_compID:c0117 Wikipedia:Acetophenone 1-phenylethan-1-one Acetophenone acetophenone chebi_ontology 1-Phenylethanone 1-phenylethanone Acetylbenzene Methyl phenyl ketone Phenyl methyl ketone benzoyl methide CHEBI:27632 acetophenone acetophenone A cobalt group element atom that has atomic number 27. 0 Co InChI=1S/Co GUTLYIVDDKVIGB-UHFFFAOYSA-N 58.93320 58.93319 [Co] CHEBI:23335 CHEBI:3788 CAS:7440-48-4 KEGG:C00175 KEGG:C19171 PDBeChem:3CO WebElements:Co cobalt chebi_ontology 27Co Co Cobalt Kobalt cobalt cobalto cobaltum CHEBI:27638 cobalt atom CAS:7440-48-4 ChemIDplus CAS:7440-48-4 KEGG COMPOUND CAS:7440-48-4 NIST Chemistry WebBook cobalt IUPAC 27Co IUPAC Co IUPAC Co UniProt Cobalt KEGG_COMPOUND Kobalt NIST_Chemistry_WebBook cobalt ChEBI cobalto ChEBI cobaltum ChEBI A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. 0 C15H23NO4 InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1 YPHMISFOHDHNIV-FSZOTQKASA-N 281.352 281.16271 [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 CHEBI:23484 CHEBI:4015 Beilstein:88868 CAS:66-81-9 KEGG:C06685 KEGG:D03625 KNApSAcK:C00047211 LINCS:LSM-2791 PDBeChem:3HE PMID:11972861 PMID:16659174 PMID:25209664 PMID:26715760 PMID:27192630 PMID:27665925 PMID:30154175 PMID:30916348 PMID:32299921 PMID:33101237 PPDB:1680 Reaxys:88868 Wikipedia:Cycloheximide 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione Cycloheximide cycloheximide chebi_ontology 3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide Cycloheximid Zykloheximid cicloheximida cicloheximide cicloheximidum naramycin naramycin A CHEBI:27641 cycloheximide Beilstein:88868 Beilstein CAS:66-81-9 ChemIDplus CAS:66-81-9 KEGG COMPOUND PMID:11972861 Europe PMC PMID:16659174 Europe PMC PMID:25209664 Europe PMC PMID:26715760 Europe PMC PMID:27192630 Europe PMC PMID:27665925 Europe PMC PMID:30154175 Europe PMC PMID:30916348 Europe PMC PMID:32299921 Europe PMC PMID:33101237 Europe PMC Reaxys:88868 Reaxys 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione IUPAC Cycloheximide KEGG_COMPOUND cycloheximide UniProt 3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide ChemIDplus Cycloheximid ChEBI Zykloheximid ChEBI cicloheximida ChemIDplus cicloheximide WHO_MedNet cicloheximidum ChemIDplus naramycin ChemIDplus naramycin A ChemIDplus An ether having methyl and tert-butyl as the two alkyl components. 0 C5H12O InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 BZLVMXJERCGZMT-UHFFFAOYSA-N 88.14820 88.08882 COC(C)(C)C CHEBI:25261 CHEBI:59027 CHEBI:6860 Beilstein:1730942 CAS:1634-04-4 Gmelin:773738 KEGG:C11344 PMID:19201538 PMID:21044818 PMID:21072404 PMID:21112690 PMID:21130999 PMID:21131048 PMID:21227585 PMID:21315889 PMID:21330701 PMID:21482276 PMID:21644118 PMID:21684239 PMID:21780613 PMID:21782339 PMID:9472332 Reaxys:1730942 Wikipedia:MTBE Methyl tert-butyl ether tert-butyl methyl ether chebi_ontology 2-Methoxy-2-methylpropane 2-Methyl-2-methoxypropane MTBE Methyl 1,1-dimethylethyl ether Methyl t-butyl ether Methyl tertiary-butyl ether t-Butyl methyl ether tert-Butyl methyl ether tert-C4H9OCH3 CHEBI:27642 methyl tert-butyl ether Beilstein:1730942 Beilstein CAS:1634-04-4 ChemIDplus Gmelin:773738 Gmelin PMID:19201538 Europe PMC PMID:21044818 Europe PMC PMID:21072404 Europe PMC PMID:21112690 Europe PMC PMID:21130999 Europe PMC PMID:21131048 Europe PMC PMID:21227585 Europe PMC PMID:21315889 Europe PMC PMID:21330701 Europe PMC PMID:21482276 Europe PMC PMID:21644118 Europe PMC PMID:21684239 Europe PMC PMID:21780613 Europe PMC PMID:21782339 Europe PMC PMID:9472332 Europe PMC Reaxys:1730942 Reaxys Methyl tert-butyl ether KEGG_COMPOUND tert-butyl methyl ether IUPAC 2-Methoxy-2-methylpropane ChemIDplus 2-Methyl-2-methoxypropane ChemIDplus MTBE ChEBI Methyl 1,1-dimethylethyl ether NIST_Chemistry_WebBook Methyl t-butyl ether ChemIDplus Methyl tertiary-butyl ether ChemIDplus t-Butyl methyl ether ChemIDplus tert-Butyl methyl ether KEGG_COMPOUND tert-C4H9OCH3 NIST_Chemistry_WebBook A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). 0 C20H16N2O4 InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 VSJKWCGYPAHWDS-FQEVSTJZSA-N 348.35200 348.11101 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O CHEBI:22997 CHEBI:3343 Beilstein:6075662 CAS:7689-03-4 DrugBank:DB04690 KEGG:C01897 KNApSAcK:C00002145 LINCS:LSM-4611 PDBeChem:EHD PMID:11024478 PMID:11549373 PMID:23344961 PMID:23474217 PMID:23676007 PMID:8965250 Reaxys:6075662 Wikipedia:Camptothecin (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Camptothecin chebi_ontology (+)-camptothecin (+)-camptothecine (S)-(+)-camptothecin 20(S)-camptothecine 21,22-Secocamptothecin-21-oic acid lactone CPT Camptothecine D-camptothecin CHEBI:27656 camptothecin Beilstein:6075662 Beilstein CAS:7689-03-4 ChemIDplus PMID:11024478 Europe PMC PMID:11549373 Europe PMC PMID:23344961 Europe PMC PMID:23474217 Europe PMC PMID:23676007 Europe PMC PMID:8965250 Europe PMC Reaxys:6075662 Reaxys (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione IUPAC Camptothecin KEGG_COMPOUND (+)-camptothecin DrugBank (+)-camptothecine DrugBank (S)-(+)-camptothecin DrugBank 20(S)-camptothecine ChemIDplus 21,22-Secocamptothecin-21-oic acid lactone ChemIDplus CPT DrugBank Camptothecine ChemIDplus D-camptothecin DrugBank Any aldehyde having an oxo substituent at the 2-position. 0 C2HO2R 57.028 56.99765 C(C(=O)[H])(=O)* CHEBI:1248 CHEBI:13595 CHEBI:19739 KEGG:C00538 chebi_ontology 2-Oxoaldehyde 2-oxo aldehydes 2-oxoaldehyde CHEBI:27659 2-oxo aldehyde 2-Oxoaldehyde KEGG_COMPOUND 2-oxo aldehydes ChEBI 2-oxoaldehyde UniProt 0 C62H86N12O16 InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 RJURFGZVJUQBHK-IIXSONLDSA-N 1255.41700 1254.62847 [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C CHEBI:22218 CHEBI:2446 Beilstein:4173766 CAS:50-76-0 DrugBank:DB00970 Drug_Central:774 KEGG:C06770 KEGG:D00214 LINCS:LSM-5783 Wikipedia:Dactinomycin 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide Actinomycin D chebi_ontology 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide ActD Dactinomycin actinomycin C1 actinomycin IV CHEBI:27666 actinomycin D Beilstein:4173766 Beilstein CAS:50-76-0 ChemIDplus CAS:50-76-0 KEGG COMPOUND Drug_Central:774 DrugCentral 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide IUPAC Actinomycin D KEGG_COMPOUND 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide ChemIDplus ActD ChEBI Dactinomycin KEGG_COMPOUND actinomycin C1 ChEBI actinomycin IV ChemIDplus A fatty acid anion 10:0 that is the conjugate base of decanoic acid. -1 C10H19O2 InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1 GHVNFZFCNZKVNT-UHFFFAOYSA-M 171.25670 171.13905 CCCCCCCCCC([O-])=O CHEBI:125804 CHEBI:23570 Beilstein:3538146 Gmelin:330643 KEGG:C01571 MetaCyc:CPD-3617 Reaxys:3538146 decanoate chebi_ontology 1-nonanecarboxylate CH3-[CH2]8-COO(-) caprate caprinate caprynate decanoic acid anion decoate decylate n-caprate n-decanoate n-decoate n-decylate nC9H19CO2 anion CHEBI:27689 decanoate Beilstein:3538146 Beilstein Gmelin:330643 Gmelin Reaxys:3538146 Reaxys decanoate IUPAC decanoate UniProt 1-nonanecarboxylate ChEBI CH3-[CH2]8-COO(-) IUPAC caprate ChEBI caprinate ChEBI caprynate ChEBI decanoic acid anion ChEBI decoate ChEBI decylate ChEBI n-caprate ChEBI n-decanoate ChEBI n-decoate ChEBI n-decylate ChEBI nC9H19CO2 anion NIST_Chemistry_WebBook 0 V InChI=1S/V LEONUFNNVUYDNQ-UHFFFAOYSA-N 50.94150 50.94396 [V] CHEBI:27274 CHEBI:9930 CAS:7440-62-2 KEGG:C06267 WebElements:V vanadium chebi_ontology 23V V Vanadium vanadio vanadium CHEBI:27698 vanadium atom CAS:7440-62-2 ChemIDplus CAS:7440-62-2 KEGG COMPOUND CAS:7440-62-2 NIST Chemistry WebBook vanadium IUPAC 23V IUPAC V IUPAC V KEGG_COMPOUND Vanadium KEGG_COMPOUND vanadio ChEBI vanadium ChEBI 0 C3H4ClN5 InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9) FVFVNNKYKYZTJU-UHFFFAOYSA-N 145.55026 145.01552 Nc1nc(N)nc(Cl)n1 CHEBI:23598 CHEBI:4375 Beilstein:124340 CAS:3397-62-4 KEGG:C06560 UM-BBD_compID:c0170 6-chloro-1,3,5-triazine-2,4-diamine chebi_ontology 2,4-diamino-6-chloro-1,3,5-triazine 2,4-diamino-6-chloro-s-triazine 2-chloro-4,6-diamino-s-triazine 2-chloro-4,6-diaminotriazine Deisopropyldeethylatrazine CHEBI:27726 6-chloro-1,3,5-triazine-2,4-diamine Beilstein:124340 Beilstein CAS:3397-62-4 ChemIDplus CAS:3397-62-4 KEGG COMPOUND CAS:3397-62-4 NIST Chemistry WebBook UM-BBD_compID:c0170 UM-BBD 6-chloro-1,3,5-triazine-2,4-diamine IUPAC 2,4-diamino-6-chloro-1,3,5-triazine NIST_Chemistry_WebBook 2,4-diamino-6-chloro-s-triazine NIST_Chemistry_WebBook 2-chloro-4,6-diamino-s-triazine ChemIDplus 2-chloro-4,6-diaminotriazine NIST_Chemistry_WebBook Deisopropyldeethylatrazine KEGG_COMPOUND A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. 0 C8H10N4O2 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 194.19076 194.08038 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 CHEBI:22982 CHEBI:3295 CHEBI:41472 Beilstein:17705 CAS:58-08-2 DrugBank:DB00201 Drug_Central:463 Gmelin:103040 HMDB:HMDB0001847 KEGG:C07481 KEGG:D00528 KNApSAcK:C00001492 LINCS:LSM-2026 MetaCyc:1-3-7-TRIMETHYLXANTHINE PDBeChem:CFF PMID:10510174 PMID:10796597 PMID:10803761 PMID:10822912 PMID:10884512 PMID:10924888 PMID:10983026 PMID:11014293 PMID:11022879 PMID:11209966 PMID:11312039 PMID:11410911 PMID:11431501 PMID:11815511 PMID:11949272 PMID:12397877 PMID:12457274 PMID:12574990 PMID:12915014 PMID:12943586 PMID:14521986 PMID:14607010 PMID:15257305 PMID:15280431 PMID:15681408 PMID:15718055 PMID:15840517 PMID:16143823 PMID:16391865 PMID:16528931 PMID:16644114 PMID:16709440 PMID:16805851 PMID:16856769 PMID:17132260 PMID:17387608 PMID:17508167 PMID:17724925 PMID:17932622 PMID:17957400 PMID:18068204 PMID:18258404 PMID:18421070 PMID:18513215 PMID:18625110 PMID:18647558 PMID:19007524 PMID:19047957 PMID:19084078 PMID:19088793 PMID:19418355 PMID:19879252 PMID:20164568 PMID:20470411 PMID:22114686 PMID:22770225 PMID:23551936 PMID:24039592 PMID:7441110 PMID:7689104 PMID:8332255 PMID:8347173 PMID:8679661 PMID:9063686 PMID:9067318 PMID:9132918 PMID:9218278 Reaxys:17705 Wikipedia:Caffeine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione CAFFEINE Caffeine caffeine caffeine added chebi_ontology 1,3,7-Trimethylxanthine 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethylxanthine 1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 7-methyltheophylline Coffein Koffein Thein anhydrous caffeine cafeina cafeine guaranine mateina methyltheobromine teina theine CHEBI:27732 caffeine Beilstein:17705 Beilstein CAS:58-08-2 ChemIDplus CAS:58-08-2 KEGG COMPOUND CAS:58-08-2 NIST Chemistry WebBook Drug_Central:463 DrugCentral Gmelin:103040 Gmelin PMID:10510174 Europe PMC PMID:10796597 Europe PMC PMID:10803761 Europe PMC PMID:10822912 Europe PMC PMID:10884512 Europe PMC PMID:10924888 Europe PMC PMID:10983026 Europe PMC PMID:11014293 Europe PMC PMID:11022879 Europe PMC PMID:11209966 Europe PMC PMID:11312039 Europe PMC PMID:11410911 Europe PMC PMID:11431501 Europe PMC PMID:11815511 Europe PMC PMID:11949272 Europe PMC PMID:12397877 Europe PMC PMID:12457274 Europe PMC PMID:12574990 Europe PMC PMID:12915014 Europe PMC PMID:12943586 Europe PMC PMID:14521986 Europe PMC PMID:14607010 Europe PMC PMID:15257305 Europe PMC PMID:15280431 Europe PMC PMID:15681408 Europe PMC PMID:15718055 Europe PMC PMID:15840517 Europe PMC PMID:16143823 Europe PMC PMID:16391865 Europe PMC PMID:16528931 Europe PMC PMID:16644114 Europe PMC PMID:16709440 Europe PMC PMID:16805851 Europe PMC PMID:16856769 Europe PMC PMID:17132260 Europe PMC PMID:17387608 Europe PMC PMID:17508167 Europe PMC PMID:17724925 Europe PMC PMID:17932622 Europe PMC PMID:17957400 Europe PMC PMID:18068204 Europe PMC PMID:18258404 Europe PMC PMID:18421070 Europe PMC PMID:18513215 Europe PMC PMID:18625110 Europe PMC PMID:18647558 Europe PMC PMID:19007524 Europe PMC PMID:19047957 Europe PMC PMID:19084078 Europe PMC PMID:19088793 Europe PMC PMID:19418355 Europe PMC PMID:19879252 Europe PMC PMID:20164568 Europe PMC PMID:20470411 Europe PMC PMID:22114686 Europe PMC PMID:22770225 Europe PMC PMID:23551936 Europe PMC PMID:24039592 Europe PMC PMID:7441110 Europe PMC PMID:7689104 Europe PMC PMID:8332255 Europe PMC PMID:8347173 Europe PMC PMID:8679661 Europe PMC PMID:9063686 Europe PMC PMID:9067318 Europe PMC PMID:9132918 Europe PMC PMID:9218278 Europe PMC Reaxys:17705 Reaxys 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione IUPAC CAFFEINE PDBeChem Caffeine KEGG_COMPOUND caffeine UniProt 1,3,7-Trimethylxanthine KEGG_COMPOUND 1,3,7-trimethyl-2,6-dioxopurine ChemIDplus 1,3,7-trimethylpurine-2,6-dione IUPHAR 1,3,7-trimethylxanthine NIST_Chemistry_WebBook 1-methyltheobromine ChemIDplus 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion NIST_Chemistry_WebBook 7-methyltheophylline NIST_Chemistry_WebBook Coffein ChemIDplus Koffein ChemIDplus Thein ChemIDplus anhydrous caffeine KEGG_DRUG cafeina ChemIDplus cafeine ChEBI guaranine IUPHAR mateina ChemIDplus methyltheobromine IUPHAR teina ChEBI theine NIST_Chemistry_WebBook A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). 0 C3H8NO5P InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) XDDAORKBJWWYJS-UHFFFAOYSA-N 169.07310 169.01401 OC(=O)CNCP(O)(O)=O CHEBI:24423 CHEBI:43013 CHEBI:5510 Beilstein:2045054 CAS:1071-83-6 DrugBank:DB04539 Gmelin:279222 KEGG:C01705 PDBeChem:GPF PDBeChem:GPJ PMID:27758090 PMID:28266132 PMID:28474816 PMID:28643882 PMID:28711546 PMID:30471482 PMID:30875550 PMID:31030151 PMID:31342895 PPDB:373 Pesticides:glyphosate UM-BBD_compID:c0134 Wikipedia:Glyphosate Glyphosate N-(phosphonomethyl)glycine chebi_ontology Roundup CHEBI:27744 glyphosate Beilstein:2045054 Beilstein CAS:1071-83-6 Alan Wood's Pesticides CAS:1071-83-6 ChemIDplus CAS:1071-83-6 KEGG COMPOUND Gmelin:279222 Gmelin PMID:27758090 Europe PMC PMID:28266132 Europe PMC PMID:28474816 Europe PMC PMID:28643882 Europe PMC PMID:28711546 Europe PMC PMID:30471482 Europe PMC PMID:30875550 Europe PMC PMID:31030151 Europe PMC PMID:31342895 Europe PMC Pesticides:glyphosate Alan Wood's Pesticides UM-BBD_compID:c0134 UM-BBD Glyphosate KEGG_COMPOUND N-(phosphonomethyl)glycine IUPAC Roundup KEGG_COMPOUND The acetate ester formed between acetic acid and ethanol. 0 C4H8O2 InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 XEKOWRVHYACXOJ-UHFFFAOYSA-N 88.10512 88.05243 CCOC(C)=O CHEBI:2389 CHEBI:23989 CHEBI:42244 Beilstein:506104 CAS:141-78-6 Gmelin:26306 HMDB:HMDB0031217 KEGG:C00849 KEGG:C01883 KEGG:D02319 KNApSAcK:C00001308 PDBeChem:EEE PMID:11684179 PMID:15497757 PMID:21764274 PMID:21797203 PMID:23078109 PMID:23089728 PMID:23108979 PMID:23351147 PMID:23614288 Reaxys:506104 UM-BBD_compID:c0036 Wikipedia:Ethyl_acetate ETHYL ACETATE Ethyl acetate ethyl acetate chebi_ontology 1-acetoxyethane AcOEt Acetyl ester CH3-CO-O-CH3 Essigester Essigsaeureethylester EtOAc Ethylacetat Ethylazetat acetic acid ethyl ester acetic acid, ethyl ester acetic ester acetoxyethane ethyl acetic ester ethyl ethanoate vinegar naphtha CHEBI:27750 ethyl acetate Beilstein:506104 Beilstein CAS:141-78-6 ChemIDplus CAS:141-78-6 KEGG COMPOUND CAS:141-78-6 NIST Chemistry WebBook Gmelin:26306 Gmelin PMID:11684179 Europe PMC PMID:15497757 Europe PMC PMID:21764274 Europe PMC PMID:21797203 Europe PMC PMID:23078109 Europe PMC PMID:23089728 Europe PMC PMID:23108979 Europe PMC PMID:23351147 Europe PMC PMID:23614288 Europe PMC Reaxys:506104 Reaxys UM-BBD_compID:c0036 UM-BBD ETHYL ACETATE PDBeChem Ethyl acetate KEGG_COMPOUND ethyl acetate IUPAC ethyl acetate UniProt 1-acetoxyethane NIST_Chemistry_WebBook AcOEt ChEBI Acetyl ester KEGG_COMPOUND CH3-CO-O-CH3 IUPAC Essigester NIST_Chemistry_WebBook Essigsaeureethylester ChEBI EtOAc ChEBI Ethylacetat ChEBI Ethylazetat ChEBI acetic acid ethyl ester ChemIDplus acetic acid, ethyl ester ChemIDplus acetic ester NIST_Chemistry_WebBook acetoxyethane ChemIDplus ethyl acetic ester NIST_Chemistry_WebBook ethyl ethanoate NIST_Chemistry_WebBook vinegar naphtha UM-BBD A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. CHEBI:23648 CHEBI:4456 KEGG:C01689 detergent chebi_ontology Detergents CHEBI:27780 detergent detergent IUPAC Detergents KEGG_COMPOUND A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. 0 C2H4Cl2 InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 WSLDOOZREJYCGB-UHFFFAOYSA-N 98.95856 97.96901 ClCCCl CHEBI:18881 CHEBI:49557 CHEBI:497 Beilstein:605264 CAS:107-06-2 DrugBank:DB03733 Gmelin:49272 HMDB:HMDB0029571 KEGG:C06752 MetaCyc:12-DICHLOROETHANE PDBeChem:DCE PMID:17564600 PMID:18579268 PMID:24228488 PMID:24329990 PMID:24441515 PMID:31520740 PMID:32830330 PMID:33047531 PPDB:2774 Reaxys:605264 UM-BBD_compID:c0001 Wikipedia:1,2-Dichloroethane 1,2-DICHLOROETHANE 1,2-Dichloroethane 1,2-dichloroethane chebi_ontology 1,2-DCE 1,2-Dichloraethan Aethylenchlorid Aethylendichlorid DCE Dutch liquid EDC Ethylene dichloride Glycol dichloride alpha,beta-dichloroethane ethane dichloride ethylene chloride CHEBI:27789 1,2-dichloroethane Beilstein:605264 Beilstein CAS:107-06-2 ChemIDplus CAS:107-06-2 KEGG COMPOUND CAS:107-06-2 NIST Chemistry WebBook Gmelin:49272 Gmelin PMID:17564600 Europe PMC PMID:18579268 Europe PMC PMID:24228488 Europe PMC PMID:24329990 Europe PMC PMID:24441515 Europe PMC PMID:31520740 Europe PMC PMID:32830330 Europe PMC PMID:33047531 Europe PMC Reaxys:605264 Reaxys UM-BBD_compID:c0001 UM-BBD 1,2-DICHLOROETHANE PDBeChem 1,2-Dichloroethane KEGG_COMPOUND 1,2-dichloroethane IUPAC 1,2-dichloroethane UniProt 1,2-DCE NIST_Chemistry_WebBook 1,2-Dichloraethan ChEBI Aethylenchlorid ChEBI Aethylendichlorid ChEBI DCE ChemIDplus Dutch liquid KEGG_COMPOUND EDC ChemIDplus Ethylene dichloride KEGG_COMPOUND Glycol dichloride KEGG_COMPOUND alpha,beta-dichloroethane NIST_Chemistry_WebBook ethane dichloride ChemIDplus ethylene chloride ChemIDplus A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. 0 C6H5NO2 InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H LQNUZADURLCDLV-UHFFFAOYSA-N 123.10940 123.03203 [O-][N+](=O)c1ccccc1 CHEBI:116696 CHEBI:25551 CHEBI:44199 CHEBI:7588 Beilstein:507540 CAS:98-95-3 Gmelin:50357 HMDB:HMDB0041950 KEGG:C06813 MetaCyc:BENZENE-NO2 PDBeChem:NBZ PMID:11304127 PMID:12595155 Reaxys:507540 UM-BBD_compID:c0313 Wikipedia:Nitrobenzene NITROBENZENE Nitrobenzene nitrobenzene chebi_ontology Nitrobenzol oil of mirbane CHEBI:27798 nitrobenzene Beilstein:507540 Beilstein CAS:98-95-3 ChemIDplus CAS:98-95-3 KEGG COMPOUND CAS:98-95-3 NIST Chemistry WebBook Gmelin:50357 Gmelin PMID:11304127 Europe PMC PMID:12595155 Europe PMC Reaxys:507540 Reaxys UM-BBD_compID:c0313 UM-BBD NITROBENZENE PDBeChem Nitrobenzene KEGG_COMPOUND nitrobenzene IUPAC nitrobenzene UniProt Nitrobenzol KEGG_COMPOUND oil of mirbane ChEBI A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. 0 C21H23NO5 InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1 GVGLGOZIDCSQPN-PVHGPHFFSA-N 369.41100 369.15762 [H][C@]12C=C[C@H](OC(C)=O)[C@@H]3Oc4c(OC(C)=O)ccc5C[C@H]1N(C)CC[C@@]23c45 CHEBI:24528 CHEBI:5680 CAS:561-27-3 DrugBank:DB01452 Drug_Central:4412 KEGG:C06534 KEGG:D07286 PMID:10454516 PMID:11441925 PMID:11448454 PMID:11557911 PMID:12965116 PMID:14534521 PMID:15212982 PMID:15213301 PMID:15550572 PMID:15772255 PMID:15843500 PMID:16076083 PMID:16333714 PMID:20331562 PMID:20649590 PMID:20735218 PMID:20810225 PMID:20855171 PMID:21235340 PMID:21309955 PMID:21362452 PMID:21452028 PMID:21527184 PMID:21568984 PMID:21608377 PMID:21734607 PMID:21740578 PMID:2352148 PMID:8858977 PMID:8893832 PMID:9918543 Reaxys:99261 Wikipedia:Heroin 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate Heroin chebi_ontology (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester) 3,6-Diacetylmorphine 7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate Diacetylmorphine Diamorphine O,O'-Diacetylmorphine CHEBI:27808 heroin CAS:561-27-3 ChemIDplus CAS:561-27-3 KEGG COMPOUND CAS:561-27-3 NIST Chemistry WebBook Drug_Central:4412 DrugCentral PMID:10454516 Europe PMC PMID:11441925 Europe PMC PMID:11448454 Europe PMC PMID:11557911 Europe PMC PMID:12965116 Europe PMC PMID:14534521 Europe PMC PMID:15212982 Europe PMC PMID:15213301 Europe PMC PMID:15550572 Europe PMC PMID:15772255 Europe PMC PMID:15843500 Europe PMC PMID:16076083 Europe PMC PMID:16333714 Europe PMC PMID:20331562 Europe PMC PMID:20649590 Europe PMC PMID:20735218 Europe PMC PMID:20810225 Europe PMC PMID:20855171 Europe PMC PMID:21235340 Europe PMC PMID:21309955 Europe PMC PMID:21362452 Europe PMC PMID:21452028 Europe PMC PMID:21527184 Europe PMC PMID:21568984 Europe PMC PMID:21608377 Europe PMC PMID:21734607 Europe PMC PMID:21740578 Europe PMC PMID:2352148 Europe PMC PMID:8858977 Europe PMC PMID:8893832 Europe PMC PMID:9918543 Europe PMC Reaxys:99261 Reaxys 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate IUPAC Heroin KEGG_COMPOUND (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester) NIST_Chemistry_WebBook 3,6-Diacetylmorphine ChemIDplus 7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate ChemIDplus Diacetylmorphine ChemIDplus Diacetylmorphine KEGG_COMPOUND Diamorphine KEGG_COMPOUND O,O'-Diacetylmorphine ChemIDplus A benzenediol that is benzene dihydroxylated at positions 1 and 3. 0 C6H6O2 InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H GHMLBKRAJCXXBS-UHFFFAOYSA-N 110.11064 110.03678 Oc1cccc(O)c1 CHEBI:26532 CHEBI:45349 CHEBI:8812 Beilstein:906905 CAS:108-46-3 Drug_Central:3524 Gmelin:26734 HMDB:HMDB0032037 KEGG:C01751 KEGG:D00133 KNApSAcK:C00002671 MetaCyc:CPD-623 PDBeChem:RCO PMID:11792395 PMID:23352755 PMID:24269627 PMID:29079364 PMID:3263257 Reaxys:906905 UM-BBD_compID:c0265 Wikipedia:Resorcinol RESORCINOL Resorcinol benzene-1,3-diol resorcinol chebi_ontology 1,3-Benzenediol 1,3-Dihydroxybenzene 1,3-Dihydroxybenzol Resorcin Resorzin m-Hydroquinone m-hydroxyphenol CHEBI:27810 resorcinol resorcinol A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. 0 C7H7N3 InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) JWYUFVNJZUSCSM-UHFFFAOYSA-N 133.15070 133.06400 Nc1nc2ccccc2[nH]1 CHEBI:1016 CHEBI:19467 Beilstein:116525 CAS:934-32-7 KEGG:C10901 PDBeChem:AX7 PMID:22076761 PMID:22488868 PMID:22958065 PMID:24098350 Reaxys:116525 1H-benzimidazol-2-amine 2-Aminobenzimidazole chebi_ontology 2-Iminobenzimidazoline Benzimidazol-2-ylamine CHEBI:27822 2-aminobenzimidazole Beilstein:116525 Beilstein CAS:934-32-7 ChemIDplus CAS:934-32-7 KEGG COMPOUND CAS:934-32-7 NIST Chemistry WebBook PMID:22076761 Europe PMC PMID:22488868 Europe PMC PMID:22958065 Europe PMC PMID:24098350 Europe PMC Reaxys:116525 Reaxys 1H-benzimidazol-2-amine IUPAC 2-Aminobenzimidazole KEGG_COMPOUND 2-Iminobenzimidazoline ChemIDplus Benzimidazol-2-ylamine ChemIDplus The sodium salt of hydrogen azide (hydrazoic acid). 0 N3Na InChI=1S/N3.Na/c1-3-2;/q-1;+1 PXIPVTKHYLBLMZ-UHFFFAOYSA-N 65.00990 64.99899 [Na+].[N-]=[N+]=[N-] CAS:26628-22-8 MetaCyc:CPD-23697 PMID:25916484 PMID:28712037 PMID:28849152 PMID:29947902 PMID:30664159 PMID:31088611 PMID:31821925 PMID:32437849 PMID:32844280 PMID:33400299 Pesticides:sodium_azide Wikipedia:Sodium_azide chebi_ontology Azoture de sodium Hydrazoic acid, sodium salt NaN3 Natriumazid hydrazoic acid sodium salt CHEBI:278547 sodium azide CAS:26628-22-8 ChemIDplus CAS:26628-22-8 NIST Chemistry WebBook PMID:25916484 Europe PMC PMID:28712037 Europe PMC PMID:28849152 Europe PMC PMID:29947902 Europe PMC PMID:30664159 Europe PMC PMID:31088611 Europe PMC PMID:31821925 Europe PMC PMID:32437849 Europe PMC PMID:32844280 Europe PMC PMID:33400299 Europe PMC Pesticides:sodium_azide Alan Wood's Pesticides Azoture de sodium ChemIDplus Hydrazoic acid, sodium salt ChemIDplus NaN3 ChEBI Natriumazid ChemIDplus hydrazoic acid sodium salt ChEBI A member of the class of acetamides that results from the formal condensation of acetic acid with ammonia. 0 C2H5NO InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) DLFVBJFMPXGRIB-UHFFFAOYSA-N 59.06724 59.03711 CC(N)=O CHEBI:22159 CHEBI:2385 CHEBI:40563 Beilstein:1071207 CAS:60-35-5 DrugBank:DB02736 Gmelin:1500 KEGG:C06244 LINCS:LSM-37224 PDBeChem:ACM PPDB:1641 UM-BBD_compID:c0658 ACETAMIDE Acetamide acetamide chebi_ontology Acetamid Azetamid CH3CONH2 Essigsaeureamid Ethanamid acetic acid amide ethanamide methanecarboxamide CHEBI:27856 acetamide Beilstein:1071207 ChemIDplus CAS:60-35-5 ChemIDplus CAS:60-35-5 KEGG COMPOUND CAS:60-35-5 NIST Chemistry WebBook Gmelin:1500 Gmelin UM-BBD_compID:c0658 UM-BBD ACETAMIDE PDBeChem Acetamide KEGG_COMPOUND acetamide IUPAC acetamide UniProt Acetamid ChEBI Azetamid ChEBI CH3CONH2 NIST_Chemistry_WebBook Essigsaeureamid ChEBI Ethanamid ChEBI acetic acid amide ChemIDplus ethanamide NIST_Chemistry_WebBook methanecarboxamide ChemIDplus A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union. 0 C6H4Cl2N2O2 InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 BIXZHMJUSMUDOQ-UHFFFAOYSA-N 207.01400 205.96498 Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O CHEBI:19392 CHEBI:941 AGR:IND44384091 CAS:99-30-9 KEGG:C11000 PMID:1692105 PMID:2625222 PMID:8720094 PPDB:222 Pesticides:dicloran Reaxys:1459581 2,6-dichloro-4-nitroaniline chebi_ontology 1-amino-2,6-dichloro-4-nitrobenzene 2,6-dichloro-4-nitrobenzenamine 4-nitro-2,6-dichloroaniline Allisan Batran Bortran Botran CNA DCNA Dichloran Ditranil Resisan dicloran CHEBI:27864 2,6-dichloro-4-nitroaniline AGR:IND44384091 Europe PMC CAS:99-30-9 ChemIDplus CAS:99-30-9 KEGG COMPOUND CAS:99-30-9 NIST Chemistry WebBook PMID:1692105 Europe PMC PMID:2625222 Europe PMC PMID:8720094 Europe PMC Pesticides:dicloran Alan Wood's Pesticides Reaxys:1459581 Reaxys 2,6-dichloro-4-nitroaniline IUPAC 1-amino-2,6-dichloro-4-nitrobenzene NIST_Chemistry_WebBook 2,6-dichloro-4-nitrobenzenamine ChemIDplus 4-nitro-2,6-dichloroaniline ChemIDplus Allisan ChemIDplus Batran ChemIDplus Bortran ChemIDplus Botran ChemIDplus CNA NIST_Chemistry_WebBook DCNA KEGG_COMPOUND Dichloran KEGG_COMPOUND Ditranil ChemIDplus Resisan NIST_Chemistry_WebBook dicloran ChemIDplus A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. 0 C2H3ClO2 InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) FOCAUTSVDIKZOP-UHFFFAOYSA-N 94.49700 93.98216 OC(=O)CCl CHEBI:23125 CHEBI:3622 CAS:79-11-8 HMDB:HMDB0031331 KEGG:C06755 KEGG:D07677 LIPID_MAPS_instance:LMFA01090068 MetaCyc:CHLOROACETIC-ACID PDBeChem:R3W PMID:12359395 PMID:15033542 PMID:16647117 PMID:17490874 PMID:23103613 PMID:25451595 Pesticides:monochloroacetic%20acid Reaxys:605438 Chloroacetic acid chloroacetic acid chebi_ontology 2-chloro-acetic acid 2-chloro-ethanoic acid 2-chloroacetic acid Acide chloracetique Acide chloroacetique Acide monochloracetique CAA Chloroethanoic acid Monochloressigsaeure alpha-chloro-acetic acid chloracetic acid monochloroacetic acid monochloroethanoic acid CHEBI:27869 chloroacetic acid CAS:79-11-8 ChemIDplus CAS:79-11-8 KEGG COMPOUND CAS:79-11-8 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA01090068 LIPID MAPS PMID:12359395 Europe PMC PMID:15033542 Europe PMC PMID:16647117 Europe PMC PMID:17490874 Europe PMC PMID:23103613 Europe PMC PMID:25451595 Europe PMC Pesticides:monochloroacetic%20acid Alan Wood's Pesticides Reaxys:605438 Reaxys Chloroacetic acid KEGG_COMPOUND chloroacetic acid IUPAC 2-chloro-acetic acid LIPID_MAPS 2-chloro-ethanoic acid LIPID_MAPS 2-chloroacetic acid ChEBI Acide chloracetique ChemIDplus Acide chloroacetique ChemIDplus Acide monochloracetique ChemIDplus CAA ChEBI Chloroethanoic acid KEGG_COMPOUND Monochloressigsaeure ChemIDplus alpha-chloro-acetic acid ChEBI chloracetic acid NIST_Chemistry_WebBook monochloroacetic acid NIST_Chemistry_WebBook monochloroethanoic acid NIST_Chemistry_WebBook Acetaldehyde substituted at C-2 by chlorine. 0 C2H3ClO InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 QSKPIOLLBIHNAC-UHFFFAOYSA-N 78.49800 77.98724 [H]C(=O)CCl CHEBI:23122 CHEBI:3621 Beilstein:1071226 CAS:107-20-0 KEGG:C06754 UM-BBD_compID:c0003 Chloroacetaldehyde chloroacetaldehyde chebi_ontology 2-Chloro-1-ethanal 2-Chloroethanal Chloroaldehyde Monochloroacetaldehyde CHEBI:27871 chloroacetaldehyde Beilstein:1071226 Beilstein CAS:107-20-0 ChemIDplus CAS:107-20-0 KEGG COMPOUND CAS:107-20-0 NIST Chemistry WebBook UM-BBD_compID:c0003 UM-BBD Chloroacetaldehyde KEGG_COMPOUND chloroacetaldehyde IUPAC chloroacetaldehyde UniProt 2-Chloro-1-ethanal ChemIDplus 2-Chloroethanal KEGG_COMPOUND Chloroaldehyde ChEBI Monochloroacetaldehyde ChemIDplus A naphthylamine carrying the amino group at position 2. 0 C10H9N InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2 JBIJLHTVPXGSAM-UHFFFAOYSA-N 143.18520 143.07350 Nc1ccc2ccccc2c1 CHEBI:1223 CHEBI:19723 Beilstein:606264 CAS:91-59-8 Gmelin:165176 HMDB:HMDB0041802 KEGG:C02227 PMID:11233991 PMID:12149138 Reaxys:606264 Wikipedia:2-Naphthylamine 2-Naphthylamine naphthalen-2-amine chebi_ontology 2-Aminonaphthalene 2-Naphthalenamine 2-Naphthylamin 2-naftilamina 6-naphthylamine BNA beta-Naphthylamin beta-naftilamina beta-naphthylamine CHEBI:27878 2-naphthylamine Beilstein:606264 Beilstein CAS:91-59-8 ChemIDplus CAS:91-59-8 KEGG COMPOUND CAS:91-59-8 NIST Chemistry WebBook Gmelin:165176 Gmelin PMID:11233991 Europe PMC PMID:12149138 Europe PMC Reaxys:606264 Reaxys 2-Naphthylamine KEGG_COMPOUND naphthalen-2-amine IUPAC 2-Aminonaphthalene KEGG_COMPOUND 2-Naphthalenamine KEGG_COMPOUND 2-Naphthylamin ChemIDplus 2-naftilamina ChEBI 6-naphthylamine ChemIDplus BNA ChemIDplus beta-Naphthylamin NIST_Chemistry_WebBook beta-naftilamina NIST_Chemistry_WebBook beta-naphthylamine NIST_Chemistry_WebBook A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. 0 C14H12O3 InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N 228.24328 228.07864 [H]C(=C([H])c1cc(O)cc(O)c1)c1ccc(O)cc1 CHEBI:11685 CHEBI:1366 CHEBI:19867 Beilstein:1912433 CAS:501-36-0 DrugBank:DB02709 KEGG:C03582 LINCS:LSM-2557 PMID:12939617 PMID:16461283 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol Resveratrol chebi_ontology 3,4',5-Trihydroxystilbene CHEBI:27881 resveratrol resveratrol Beilstein:1912433 Beilstein CAS:501-36-0 KEGG COMPOUND PMID:12939617 Europe PMC PMID:16461283 Europe PMC 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol IUPAC Resveratrol KEGG_COMPOUND 3,4',5-Trihydroxystilbene KEGG_COMPOUND A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups). 0 Cl2H6N2Pt H6Cl2N2Pt InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2 LXZZYRPGZAFOLE-UHFFFAOYSA-L 300.04452 298.95560 [H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H] CHEBI:23314 CHEBI:3722 CAS:15663-27-1 DrugBank:DB00515 Gmelin:2519 HMDB:HMDB0014656 KEGG:C06911 KEGG:D00275 MetaCyc:CPD0-1392 MolBase:25 PMID:10883661 PMID:12537968 PMID:12831510 PMID:12935404 PMID:16327988 PMID:18472761 PMID:1855275 PMID:23554447 PMID:23604226 PMID:23651576 PMID:28494534 Patent:DE2318020 Patent:DE2329485 Reaxys:11324567 Wikipedia:Cisplatin (SP-4-2)-diamminedichloridoplatinum (SP-4-2)-diamminedichloroplatinum Cisplatin cis-diamminedichloridoplatinum(II) cis-diamminedichloroplatinum(II) chebi_ontology Briplatin CDDP Cismaplat Lederplatin Neoplatin Peyrone's chloride Peyrone's salt Platamine Platinex Platinol Randa [PtCl2(NH3)2] cis-DDP cis-Diamminedichloroplatinum(II) cis-[PtCl2(NH3)2] cis-diamminedichloroplatinum cis-diammineplatinum(II) dichloride cis-dichlorodiammineplatinum(II) cis-platin cisplatin cisplatine cisplatino cisplatinum CHEBI:27899 cisplatin CAS:15663-27-1 ChemIDplus CAS:15663-27-1 KEGG COMPOUND Gmelin:2519 Gmelin PMID:10883661 Europe PMC PMID:12537968 Europe PMC PMID:12831510 Europe PMC PMID:12935404 Europe PMC PMID:16327988 Europe PMC PMID:18472761 Europe PMC PMID:1855275 Europe PMC PMID:23554447 Europe PMC PMID:23604226 Europe PMC PMID:23651576 Europe PMC PMID:28494534 Europe PMC Reaxys:11324567 Reaxys (SP-4-2)-diamminedichloridoplatinum IUPAC (SP-4-2)-diamminedichloroplatinum IUPAC Cisplatin KEGG_COMPOUND cis-diamminedichloridoplatinum(II) IUPAC cis-diamminedichloroplatinum(II) IUPAC Briplatin ChemIDplus CDDP KEGG_COMPOUND Cismaplat DrugBank Lederplatin DrugBank Neoplatin DrugBank Peyrone's chloride ChemIDplus Peyrone's salt ChEBI Platamine DrugBank Platinex DrugBank Platinol KEGG_DRUG Randa DrugBank [PtCl2(NH3)2] KEGG_COMPOUND cis-DDP ChemIDplus cis-Diamminedichloroplatinum(II) KEGG_COMPOUND cis-[PtCl2(NH3)2] MolBase cis-diamminedichloroplatinum ChemIDplus cis-diammineplatinum(II) dichloride ChemIDplus cis-dichlorodiammineplatinum(II) ChemIDplus cis-platin ChEBI cisplatin ChemIDplus cisplatine ChemIDplus cisplatino ChemIDplus cisplatinum ChemIDplus A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. 0 C22H24N2O8 InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 OFVLGDICTFRJMM-WESIUVDSSA-N 444.43460 444.15327 [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C CHEBI:26894 CHEBI:45729 CHEBI:9474 Beilstein:2230417 CAS:60-54-8 DrugBank:DB00759 Drug_Central:2611 Gmelin:1103368 KEGG:C06570 KEGG:D00201 MetaCyc:CPD0-1414 PDBeChem:TAC PMID:11061623 PMID:11550419 PMID:11744940 PMID:12934399 PMID:14585720 PMID:15825421 PMID:15913752 PMID:16443056 PMID:1650428 PMID:16749547 PMID:17251127 PMID:17260506 PMID:18326855 PMID:18406588 PMID:19032078 PMID:19112759 PMID:19136803 PMID:25286144 PMID:26876942 Patent:US2699054 Patent:US2712517 Patent:US2886595 Patent:US3005023 Patent:US3019173 Patent:US3301899 Reaxys:2230417 VSDB:1739 Wikipedia:Tetracycline (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide TETRACYCLINE Tetracycline tetracycline chebi_ontology (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide Abramycin Achromycin Anhydrotetracycline Deschlorobiomycin Liquamycin Tetracyclin Tetrazyklin Tsiklomitsin tetracycline tetracyclinum CHEBI:27902 tetracycline Beilstein:2230417 Beilstein CAS:60-54-8 ChemIDplus CAS:60-54-8 KEGG COMPOUND Drug_Central:2611 DrugCentral Gmelin:1103368 Gmelin PMID:11061623 Europe PMC PMID:11550419 Europe PMC PMID:11744940 Europe PMC PMID:12934399 Europe PMC PMID:14585720 Europe PMC PMID:15825421 Europe PMC PMID:15913752 Europe PMC PMID:16443056 Europe PMC PMID:1650428 Europe PMC PMID:16749547 Europe PMC PMID:17251127 Europe PMC PMID:17260506 Europe PMC PMID:18326855 Europe PMC PMID:18406588 Europe PMC PMID:19032078 Europe PMC PMID:19112759 Europe PMC PMID:19136803 Europe PMC PMID:25286144 Europe PMC PMID:26876942 Europe PMC Reaxys:2230417 Reaxys (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide IUPAC TETRACYCLINE PDBeChem Tetracycline KEGG_COMPOUND tetracycline ChEBI (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide ChemIDplus Abramycin ChemIDplus Achromycin ChEBI Anhydrotetracycline DrugBank Deschlorobiomycin ChemIDplus Liquamycin ChemIDplus Tetracyclin ChEBI Tetrazyklin ChEBI Tsiklomitsin ChemIDplus tetracycline ChemIDplus tetracyclinum ChemIDplus A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines. 0 C8H5Cl3O3 InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13) SMYMJHWAQXWPDB-UHFFFAOYSA-N 255.48160 253.93043 OC(=O)COc1cc(Cl)c(Cl)cc1Cl CHEBI:897 Beilstein:2055620 CAS:93-76-5 Gmelin:434052 KEGG:C07100 LINCS:LSM-24946 MetaCyc:CPD-10896 PMID:23085749 PMID:23167922 PPDB:1532 Pesticides:2,4,5-t Reaxys:2055620 Wikipedia:2,4,5-Trichlorophenoxyacetic_acid (2,4,5-trichlorophenoxy)acetic acid chebi_ontology (2,4,5-Trichlorphenoxy)essigsaeure 2,4,5-T 2,4,5-Trichlorophenoxyacetic acid 2,4,5-Trichlorphenoxyessigsaeure Esteron 245 Trioxone CHEBI:27903 (2,4,5-trichlorophenoxy)acetic acid Beilstein:2055620 ChemIDplus CAS:93-76-5 ChemIDplus CAS:93-76-5 KEGG COMPOUND CAS:93-76-5 NIST Chemistry WebBook Gmelin:434052 Gmelin PMID:23085749 Europe PMC PMID:23167922 Europe PMC Pesticides:2,4,5-t Alan Wood's Pesticides Reaxys:2055620 Reaxys (2,4,5-trichlorophenoxy)acetic acid IUPAC (2,4,5-Trichlorphenoxy)essigsaeure ChEBI 2,4,5-T ChemIDplus 2,4,5-T KEGG_COMPOUND 2,4,5-Trichlorophenoxyacetic acid KEGG_COMPOUND 2,4,5-Trichlorphenoxyessigsaeure ChEBI Esteron 245 NIST_Chemistry_WebBook Trioxone NIST_Chemistry_WebBook A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. 0 C6H12O3 InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 SQYNKIJPMDEDEG-UHFFFAOYSA-N 132.15768 132.07864 CC1OC(C)OC(C)O1 CHEBI:25854 CHEBI:7920 Beilstein:80142 CAS:123-63-7 Drug_Central:2058 Gmelin:26743 HMDB:HMDB0032456 KEGG:C07834 KEGG:D00705 PMID:13226912 PMID:13265663 PMID:13340987 PMID:17364860 PMID:23118657 Reaxys:80142 Wikipedia:Paraldehyde 2,4,6-trimethyl-1,3,5-trioxane Paraldehyde chebi_ontology 1,3,5-trimethyl-2,4,6-trioxane 2,4,6-trimethyl-s-trioxane Paral Paraldehyd acetaldehyde trimer paraacetaldehyde paracetaldehyde CHEBI:27909 paraldehyde Beilstein:80142 Beilstein CAS:123-63-7 ChemIDplus CAS:123-63-7 KEGG COMPOUND CAS:123-63-7 NIST Chemistry WebBook Drug_Central:2058 DrugCentral Gmelin:26743 Gmelin PMID:13226912 Europe PMC PMID:13265663 Europe PMC PMID:13340987 Europe PMC PMID:17364860 Europe PMC PMID:23118657 Europe PMC Reaxys:80142 Reaxys 2,4,6-trimethyl-1,3,5-trioxane IUPAC Paraldehyde KEGG_COMPOUND 1,3,5-trimethyl-2,4,6-trioxane ChemIDplus 2,4,6-trimethyl-s-trioxane ChemIDplus Paral NIST_Chemistry_WebBook Paraldehyd ChemIDplus acetaldehyde trimer NIST_Chemistry_WebBook paraacetaldehyde NIST_Chemistry_WebBook paracetaldehyde NIST_Chemistry_WebBook A phenylhydrazine that is the monophenyl derivative of hydrazine. 0 C6H8N2 InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 HKOOXMFOFWEVGF-UHFFFAOYSA-N 108.14120 108.06875 NNc1ccccc1 CHEBI:25995 CHEBI:44985 CHEBI:8099 Beilstein:606080 CAS:100-63-0 Gmelin:26849 KEGG:C02304 MetaCyc:PHENYLHYDRAZINE PDBeChem:PHZ PMID:19627281 PMID:20585853 PMID:7144447 Reaxys:606080 Wikipedia:Phenylhydrazine Phenylhydrazine phenylhydrazine chebi_ontology 1-PHENYLHYDRAZINE Hydrazinobenzene PhNHNH2 Phenyldiazane Phenylhydrazin hydrazobenzene monophenylhydrazine CHEBI:27924 phenylhydrazine Beilstein:606080 Beilstein CAS:100-63-0 ChemIDplus CAS:100-63-0 KEGG COMPOUND CAS:100-63-0 NIST Chemistry WebBook Gmelin:26849 Gmelin PMID:19627281 Europe PMC PMID:20585853 Europe PMC PMID:7144447 Europe PMC Reaxys:606080 Reaxys Phenylhydrazine KEGG_COMPOUND phenylhydrazine IUPAC 1-PHENYLHYDRAZINE PDBeChem Hydrazinobenzene KEGG_COMPOUND PhNHNH2 ChEBI Phenyldiazane KEGG_COMPOUND Phenylhydrazin NIST_Chemistry_WebBook hydrazobenzene ChemIDplus monophenylhydrazine NIST_Chemistry_WebBook 0 C10H14NO5PS InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N 291.26166 291.03303 CCOP(=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O CHEBI:25857 CHEBI:7927 Beilstein:2059093 CAS:56-38-2 KEGG:C06604 PPDB:506 UM-BBD_compID:c0084 O,O-diethyl O-(4-nitrophenyl) phosphorothioate Parathion chebi_ontology DNTP O,O-Diethyl O-p-nitrophenyl phosphorothioate O,O-diethyl O-(4-nitrophenyl) thiophosphate O,O-diethyl O-(p-nitrophenyl) thiophosphate Thiophos diethyl p-nitrophenyl thiophosphate diethyl parathion ethyl parathion phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester CHEBI:27928 parathion Beilstein:2059093 Beilstein CAS:56-38-2 ChemIDplus CAS:56-38-2 KEGG COMPOUND CAS:56-38-2 NIST Chemistry WebBook UM-BBD_compID:c0084 UM-BBD O,O-diethyl O-(4-nitrophenyl) phosphorothioate IUPAC Parathion KEGG_COMPOUND DNTP KEGG_COMPOUND O,O-Diethyl O-p-nitrophenyl phosphorothioate KEGG_COMPOUND O,O-diethyl O-(4-nitrophenyl) thiophosphate NIST_Chemistry_WebBook O,O-diethyl O-(p-nitrophenyl) thiophosphate NIST_Chemistry_WebBook Thiophos KEGG_COMPOUND diethyl p-nitrophenyl thiophosphate NIST_Chemistry_WebBook diethyl parathion NIST_Chemistry_WebBook ethyl parathion NIST_Chemistry_WebBook phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester NIST_Chemistry_WebBook An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring. CHEBI:10427 CHEBI:22844 KEGG:C03438 PMID:19254642 PMID:22594007 Wikipedia:Beta-lactam_antibiotic chebi_ontology beta-Lactam antibiotics beta-lactam antibiotics CHEBI:27933 beta-lactam antibiotic PMID:19254642 Europe PMC PMID:22594007 Europe PMC beta-Lactam antibiotics KEGG_COMPOUND beta-lactam antibiotics ChEBI pullulan http://langual.org Codex::1204 Europe::1204 http://www.langual.org/langual_thesaurus.asp?termid=B4447 LanguaL term definition: Food additive; technological purpose(s): film-forming agent, glazing agent. pullulan A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. 0 C17H21NO4 InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N 303.35290 303.14706 [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C CHEBI:23346 CHEBI:3801 CHEBI:41642 Beilstein:3621912 Beilstein:5291037 Beilstein:91034 CAS:50-36-2 DrugBank:DB00907 Drug_Central:723 Gmelin:170209 KEGG:C01416 KEGG:D00110 KNApSAcK:C00002285 MetaCyc:CPD-9776 PDBeChem:COC PMID:11416615 PMID:11853120 PMID:14962054 PMID:17551070 PMID:19536276 PMID:21150772 PMID:25303034 Reaxys:5291037 Reaxys:91034 Wikipedia:Cocaine (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate COCAINE Cocaine methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate chebi_ontology (-)-cocaine 2-methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester) Benzoylmethylecgonine Cocain Cocaina Kokain Neurocaine [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester beta-Cocain cocainum l-Cocain l-cocaine methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate methyl benzoylecgonine CHEBI:27958 cocaine Beilstein:3621912 Beilstein Beilstein:3621912 Beilstein Beilstein:5291037 Beilstein Beilstein:5291037 Beilstein Beilstein:91034 Beilstein Beilstein:91034 Beilstein CAS:50-36-2 ChemIDplus CAS:50-36-2 KEGG COMPOUND CAS:50-36-2 NIST Chemistry WebBook CAS:50-36-2 ChemIDplus CAS:50-36-2 KEGG COMPOUND CAS:50-36-2 NIST Chemistry WebBook Drug_Central:723 DrugCentral Drug_Central:723 DrugCentral Gmelin:170209 Gmelin Gmelin:170209 Gmelin PMID:11416615 Europe PMC PMID:11416615 Europe PMC PMID:11853120 Europe PMC PMID:11853120 Europe PMC PMID:14962054 Europe PMC PMID:14962054 Europe PMC PMID:17551070 Europe PMC PMID:17551070 Europe PMC PMID:19536276 Europe PMC PMID:19536276 Europe PMC PMID:21150772 Europe PMC PMID:21150772 Europe PMC PMID:25303034 Europe PMC PMID:25303034 Europe PMC Reaxys:5291037 Reaxys Reaxys:5291037 Reaxys Reaxys:91034 Reaxys Reaxys:91034 Reaxys (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate IUPAC COCAINE PDBeChem Cocaine KEGG_COMPOUND methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate IUPAC (-)-cocaine ChEBI 2-methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester) NIST_Chemistry_WebBook Benzoylmethylecgonine ChemIDplus Cocain DrugBank Cocaina DrugBank Kokain ChEBI Kokain ChemIDplus Neurocaine ChemIDplus [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester NIST_Chemistry_WebBook beta-Cocain KEGG_COMPOUND cocainum ChEBI l-Cocain KEGG_COMPOUND l-cocaine ChemIDplus methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate ChEBI methyl benzoylecgonine ChemIDplus 0 C21H38O7 InChI=1S/C21H38O7/c1-8-15-11(3)17(23)12(4)16(22)10(2)9-21(7,27)19(25)13(5)18(24)14(6)20(26)28-15/h10-15,17-19,23-25,27H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,17+,18+,19-,21-/m1/s1 ZFBRGCCVTUPRFQ-HWRKYNCUSA-N 402.52222 402.26175 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C CHEBI:23954 CHEBI:4847 Beilstein:1354077 CAS:3225-82-9 KEGG:C06635 (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione Erythronolide B erythronolide B chebi_ontology 12-deoxyerythronolide A Erythronolid B CHEBI:27977 erythronolide B Beilstein:1354077 Beilstein CAS:3225-82-9 ChemIDplus (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC Erythronolide B KEGG_COMPOUND erythronolide B UniProt 12-deoxyerythronolide A ChemIDplus Erythronolid B ChEBI A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. 0 C7H5N InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H JFDZBHWFFUWGJE-UHFFFAOYSA-N 103.12134 103.04220 N#Cc1ccccc1 CHEBI:22725 CHEBI:3033 Beilstein:506893 CAS:100-47-0 Gmelin:2653 KEGG:C09814 MetaCyc:CPD-15582 PMID:24129580 UM-BBD_compID:c0367 Wikipedia:Benzonitrile Benzonitrile benzonitrile phenyl cyanide chebi_ontology C6H5-CN Cyanobenzene Phenyl cyanide benzenenitrile benzoic acid nitrile CHEBI:27991 benzonitrile Beilstein:506893 Beilstein CAS:100-47-0 ChemIDplus CAS:100-47-0 KEGG COMPOUND CAS:100-47-0 NIST Chemistry WebBook Gmelin:2653 Gmelin PMID:24129580 Europe PMC UM-BBD_compID:c0367 UM-BBD Benzonitrile KEGG_COMPOUND benzonitrile IUPAC phenyl cyanide IUPAC C6H5-CN IUPAC Cyanobenzene KEGG_COMPOUND Phenyl cyanide KEGG_COMPOUND benzenenitrile NIST_Chemistry_WebBook benzoic acid nitrile NIST_Chemistry_WebBook 0 W InChI=1S/W WFKWXMTUELFFGS-UHFFFAOYSA-N 183.84000 183.95093 [W] CHEBI:27170 CHEBI:9779 CAS:7440-33-7 Gmelin:16317 KEGG:C00753 PDBeChem:W WebElements:W Tungsten tungsten wolfram chebi_ontology 74W W Wolfram tungsten atom tungstene tungsteno volframio wolframio wolframium CHEBI:27998 tungsten CAS:7440-33-7 ChemIDplus CAS:7440-33-7 KEGG COMPOUND CAS:7440-33-7 NIST Chemistry WebBook Gmelin:16317 Gmelin Tungsten KEGG_COMPOUND tungsten IUPAC wolfram IUPAC 74W IUPAC W IUPAC W UniProt Wolfram NIST_Chemistry_WebBook tungsten atom ChEBI tungstene ChEBI tungsteno ChEBI volframio ChEBI wolframio ChEBI wolframium ChEBI 0 CHNO InChI=1S/CHNO/c2-1-3/h3H XLJMAIOERFSOGZ-UHFFFAOYSA-N 43.025 43.00581 OC#N CHEBI:23422 CHEBI:3968 Beilstein:1732479 CAS:420-05-3 Chemspider:525 Gmelin:839 KEGG:C01417 PDBeChem:0NM PMID:12573832 PMID:12590561 PMID:16743625 PMID:16744204 PMID:19624192 PMID:20261791 PMID:20261792 PMID:20340793 PMID:237898 PMID:4368066 PMID:6493050 Cyanic acid hydrogen nitridooxocarbonate hydroxidonitridocarbon nitridooxocarbonic acid chebi_ontology Cyansaeure HOCN Zyansaeure [C(N)OH] acide cyanique acido cianico acidum cyanicum CHEBI:28024 cyanic acid Beilstein:1732479 Beilstein CAS:420-05-3 ChemIDplus CAS:420-05-3 KEGG COMPOUND CAS:420-05-3 NIST Chemistry WebBook Gmelin:839 Gmelin PMID:12573832 Europe PMC PMID:12590561 Europe PMC PMID:16743625 Europe PMC PMID:16744204 Europe PMC PMID:19624192 Europe PMC PMID:20261791 Europe PMC PMID:20261792 Europe PMC PMID:20340793 Europe PMC PMID:237898 Europe PMC PMID:4368066 Europe PMC PMID:6493050 Europe PMC Cyanic acid KEGG_COMPOUND hydrogen nitridooxocarbonate IUPAC hydroxidonitridocarbon IUPAC nitridooxocarbonic acid IUPAC Cyansaeure ChEBI HOCN IUPAC Zyansaeure ChEBI [C(N)OH] IUPAC acide cyanique ChEBI acido cianico ChEBI acidum cyanicum ChEBI An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N 165.18918 165.07898 NC(Cc1ccccc1)C(O)=O CHEBI:25984 CHEBI:8089 Beilstein:1910407 CAS:150-30-1 Gmelin:50836 KEGG:C02057 PMID:17439666 PMID:22264337 Reaxys:1910407 Wikipedia:Phenylalanine 2-amino-3-phenylpropanoic acid Phenylalanine phenylalanine chebi_ontology DL-Phenylalanine F PHE Phenylalanin alpha-Amino-beta-phenylpropionic acid fenilalanina CHEBI:28044 phenylalanine Beilstein:1910407 Beilstein CAS:150-30-1 ChemIDplus CAS:150-30-1 NIST Chemistry WebBook Gmelin:50836 Gmelin PMID:17439666 Europe PMC PMID:22264337 Europe PMC Reaxys:1910407 Reaxys 2-amino-3-phenylpropanoic acid IUPAC Phenylalanine KEGG_COMPOUND phenylalanine ChEBI phenylalanine IUPAC DL-Phenylalanine KEGG_COMPOUND F ChEBI PHE ChEBI Phenylalanin ChEBI alpha-Amino-beta-phenylpropionic acid KEGG_COMPOUND fenilalanina ChEBI A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. 0 C7H8O InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 QWVGKYWNOKOFNN-UHFFFAOYSA-N 108.13780 108.05751 Cc1ccccc1O CHEBI:10609 CHEBI:25617 Beilstein:506917 CAS:95-48-7 Gmelin:101619 HMDB:HMDB0002055 KEGG:C01542 KNApSAcK:C00030878 PDBeChem:JZ0 PMID:15687000 Reaxys:506917 UM-BBD_compID:c0281 Wikipedia:O-Cresol 2-methylphenol o-Cresol chebi_ontology 1-hydroxy-2-methylbenzene 2-Hydroxytoluene 2-cresol 2-hydroxy-1-methylbenzene 2-hydroxytoluene o-Kresol o-Methylphenol o-cresylic acid ortho-cresol orthocresol CHEBI:28054 o-cresol Beilstein:506917 Beilstein CAS:95-48-7 ChemIDplus CAS:95-48-7 KEGG COMPOUND CAS:95-48-7 NIST Chemistry WebBook Gmelin:101619 Gmelin PMID:15687000 Europe PMC Reaxys:506917 Reaxys UM-BBD_compID:c0281 UM-BBD 2-methylphenol IUPAC o-Cresol KEGG_COMPOUND 1-hydroxy-2-methylbenzene ChemIDplus 2-Hydroxytoluene KEGG_COMPOUND 2-cresol ChemIDplus 2-hydroxy-1-methylbenzene ChemIDplus 2-hydroxytoluene ChemIDplus 2-hydroxytoluene UniProt o-Kresol NIST_Chemistry_WebBook o-Methylphenol KEGG_COMPOUND o-cresylic acid ChemIDplus ortho-cresol ChemIDplus orthocresol ChemIDplus A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues. CHEBI:22538 CHEBI:2693 CAS:9037-22-3 KEGG:C00317 Amylopectin chebi_ontology CHEBI:28057 amylopectin amylopectin A xylene substituted by methyl groups at positions 1 and 2. 0 C8H10 InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 CTQNGGLPUBDAKN-UHFFFAOYSA-N 106.16500 106.07825 Cc1ccccc1C CHEBI:10611 CHEBI:25623 CHEBI:44697 Beilstein:1815558 CAS:95-47-6 Chemspider:6967 DrugBank:DB03029 FooDB:FDB005819 Gmelin:67796 HMDB:HMDB0059851 KEGG:C07212 KNApSAcK:C00056020 MetaCyc:CPD-1421 PDBeChem:OXE PMID:10598955 PMID:11357330 PMID:18656653 PMID:19167006 PMID:22960059 PMID:24246944 PMID:24421258 PMID:28621498 PMID:31911380 PMID:33465657 PMID:7399721 PMID:7691530 Reaxys:1815558 UM-BBD_compID:c0248 Wikipedia:O-Xylene 1,2-xylene o-Xylene chebi_ontology 1,2-Dimethylbenzol 1,2-dimethylbenzene 2-xylene 3,4-xylene ORTHO-XYLENE o-Dimethylbenzene o-Methyltoluene o-Xylol ortho-xylene CHEBI:28063 o-xylene Beilstein:1815558 Beilstein CAS:95-47-6 ChemIDplus CAS:95-47-6 KEGG COMPOUND CAS:95-47-6 NIST Chemistry WebBook Gmelin:67796 Gmelin PMID:10598955 Europe PMC PMID:11357330 Europe PMC PMID:18656653 Europe PMC PMID:19167006 Europe PMC PMID:22960059 Europe PMC PMID:24246944 Europe PMC PMID:24421258 Europe PMC PMID:28621498 Europe PMC PMID:31911380 Europe PMC PMID:33465657 Europe PMC PMID:7399721 Europe PMC PMID:7691530 Europe PMC Reaxys:1815558 Reaxys UM-BBD_compID:c0248 UM-BBD 1,2-xylene IUPAC o-Xylene KEGG_COMPOUND 1,2-Dimethylbenzol ChEBI 1,2-dimethylbenzene NIST_Chemistry_WebBook 2-xylene ChemIDplus 3,4-xylene NIST_Chemistry_WebBook ORTHO-XYLENE PDBeChem o-Dimethylbenzene KEGG_COMPOUND o-Methyltoluene KEGG_COMPOUND o-Xylol ChemIDplus ortho-xylene MetaCyc A chromium group element atom that has atomic number 24. 0 Cr InChI=1S/Cr VYZAMTAEIAYCRO-UHFFFAOYSA-N 51.99610 51.94051 [Cr] CHEBI:23235 CHEBI:3678 CAS:7440-47-3 KEGG:C06268 WebElements:Cr chromium chebi_ontology 24Cr Chrom Chromium Cr chrome chromium cromo CHEBI:28073 chromium atom CAS:7440-47-3 ChemIDplus CAS:7440-47-3 KEGG COMPOUND chromium IUPAC 24Cr IUPAC Chrom ChemIDplus Chromium KEGG_COMPOUND Cr IUPAC Cr KEGG_COMPOUND chrome ChEBI chromium ChEBI cromo ChEBI A monochlorophenol substituted at the pare position by a chlorine atom. 0 C6H5ClO InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H WXNZTHHGJRFXKQ-UHFFFAOYSA-N 128.55600 128.00289 Oc1ccc(Cl)cc1 CHEBI:1807 CHEBI:20340 Beilstein:507004 CAS:106-48-9 Gmelin:2902 KEGG:C02124 KEGG:D00149 LINCS:LSM-2913 MetaCyc:CPD-10870 PDBeChem:4CH PMID:10848923 PMID:24279624 PMID:24390833 PMID:24473310 PMID:24583212 PMID:24725749 PMID:24762698 PMID:24794625 PMID:24926596 Reaxys:507004 UM-BBD_compID:c0295 4-Chlorophenol 4-chlorophenol chebi_ontology Parachlorophenol p-Chlorophenol p-chlorophenol CHEBI:28078 4-chlorophenol Beilstein:507004 Beilstein CAS:106-48-9 ChemIDplus CAS:106-48-9 KEGG COMPOUND CAS:106-48-9 NIST Chemistry WebBook Gmelin:2902 Gmelin PMID:10848923 Europe PMC PMID:24279624 Europe PMC PMID:24390833 Europe PMC PMID:24473310 Europe PMC PMID:24583212 Europe PMC PMID:24725749 Europe PMC PMID:24762698 Europe PMC PMID:24794625 Europe PMC PMID:24926596 Europe PMC Reaxys:507004 Reaxys UM-BBD_compID:c0295 UM-BBD 4-Chlorophenol KEGG_COMPOUND 4-chlorophenol IUPAC Parachlorophenol KEGG_COMPOUND p-Chlorophenol KEGG_COMPOUND p-chlorophenol ChEBI A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. 0 C15H10O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N 270.240 270.05282 OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O CHEBI:24204 CHEBI:42763 CHEBI:5302 Beilstein:263823 CAS:446-72-0 Chemspider:4444448 DrugBank:DB01645 FooDB:FDB011828 HMDB:HMDB0003217 KEGG:C06563 KEGG:D11680 KNApSAcK:C00002526 LINCS:LSM-5549 LIPID_MAPS_instance:LMPK12050218 MetaCyc:CPD-3141 PDBeChem:GEN PMID:10469641 PMID:10741415 PMID:10912792 PMID:11564287 PMID:12629420 PMID:14654166 PMID:15196699 PMID:15288519 PMID:15576033 PMID:15772566 PMID:15833883 PMID:15853412 PMID:16061678 PMID:16166295 PMID:17004897 PMID:17979711 PMID:18344977 PMID:18413741 PMID:18490856 PMID:18815740 PMID:19107852 PMID:19402570 PMID:20211733 PMID:22303062 PMID:24023812 PMID:24297371 PMID:24379139 PMID:25593647 PMID:26322379 PMID:28166217 PMID:28259640 PMID:34314575 Reaxys:263823 Wikipedia:Genistein 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one GENISTEIN Genistein chebi_ontology 4',5,7-trihydroxyisoflavone 5,7,4'-Trihydroxyisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Prunetol Sophoricol CHEBI:28088 genistein genistein The simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine. 0 C6H5Cl InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H MVPPADPHJFYWMZ-UHFFFAOYSA-N 112.55660 112.00798 Clc1ccccc1 CHEBI:23131 CHEBI:3623 Beilstein:605632 CAS:108-90-7 Gmelin:26704 HMDB:HMDB0041855 KEGG:C06990 MetaCyc:CHLOROBENZENE PDBeChem:8CL PMID:23360185 PMID:23957149 PMID:24341791 Reaxys:605632 UM-BBD_compID:c0105 Wikipedia:Chlorobenzene Chlorobenzene chlorobenzene chebi_ontology Benzene chloride Monochlorbenzol Monochlorobenzene PhCl Phenyl chloride CHEBI:28097 chlorobenzene Beilstein:605632 Beilstein CAS:108-90-7 ChemIDplus CAS:108-90-7 KEGG COMPOUND CAS:108-90-7 NIST Chemistry WebBook Gmelin:26704 Gmelin PMID:23360185 Europe PMC PMID:23957149 Europe PMC PMID:24341791 Europe PMC Reaxys:605632 Reaxys UM-BBD_compID:c0105 UM-BBD Chlorobenzene KEGG_COMPOUND chlorobenzene IUPAC chlorobenzene UniProt Benzene chloride KEGG_COMPOUND Monochlorbenzol ChemIDplus Monochlorobenzene KEGG_COMPOUND PhCl ChEBI Phenyl chloride KEGG_COMPOUND Chemical element (nickel group element atom) with atomic number 28. 0 Ni InChI=1S/Ni PXHVJJICTQNCMI-UHFFFAOYSA-N 58.69340 57.93534 [Ni] CHEBI:25515 CHEBI:7552 CAS:7440-02-0 Gmelin:16229 KEGG:C00291 PMID:12756270 PMID:14634084 PMID:14734778 PMID:15165199 PMID:19828094 PMID:20477134 PMID:22762130 PMID:23142754 PMID:23317102 PMID:23692032 PMID:23692035 PMID:23723488 PMID:23834453 PMID:23857010 PMID:23895079 PMID:23909687 PMID:9060994 PMID:9886425 Reaxys:4122946 WebElements:Ni Wikipedia:Nickel nickel chebi_ontology 28Ni Ni Nickel Raney alloy niccolum nickel niquel CHEBI:28112 nickel atom CAS:7440-02-0 ChemIDplus CAS:7440-02-0 KEGG COMPOUND CAS:7440-02-0 NIST Chemistry WebBook Gmelin:16229 Gmelin PMID:12756270 Europe PMC PMID:14634084 Europe PMC PMID:14734778 Europe PMC PMID:15165199 Europe PMC PMID:19828094 Europe PMC PMID:20477134 Europe PMC PMID:22762130 Europe PMC PMID:23142754 Europe PMC PMID:23317102 Europe PMC PMID:23692032 Europe PMC PMID:23692035 Europe PMC PMID:23723488 Europe PMC PMID:23834453 Europe PMC PMID:23857010 Europe PMC PMID:23895079 Europe PMC PMID:23909687 Europe PMC PMID:9060994 Europe PMC PMID:9886425 Europe PMC Reaxys:4122946 Reaxys nickel IUPAC 28Ni IUPAC Ni IUPAC Ni UniProt Nickel ChEBI Raney alloy ChemIDplus niccolum ChEBI nickel ChEBI niquel ChEBI 0 C12H4Cl4O2 InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H HGUFODBRKLSHSI-UHFFFAOYSA-N 321.96976 319.89654 Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl CHEBI:19302 CHEBI:869 Beilstein:271116 CAS:1746-01-6 Gmelin:366537 KEGG:C07557 LINCS:LSM-37232 Wikipedia:2,3,7,8-Tetrachlorodibenzo-P-Dioxin 2,3,7,8-tetrachlorooxanthrene chebi_ontology 2,3,7,8-Tetrachlorodibenzo-p-dioxin 2,3,7,8-Tetrachlorodibenzodioxin Dioxin PCDD 48 TCDD Tetrachlorodibenzodioxin dioxine tetradioxin CHEBI:28119 2,3,7,8-tetrachlorodibenzodioxine Beilstein:271116 Beilstein CAS:1746-01-6 ChemIDplus CAS:1746-01-6 KEGG COMPOUND CAS:1746-01-6 NIST Chemistry WebBook Gmelin:366537 Gmelin 2,3,7,8-tetrachlorooxanthrene IUPAC 2,3,7,8-Tetrachlorodibenzo-p-dioxin KEGG_COMPOUND 2,3,7,8-Tetrachlorodibenzodioxin KEGG_COMPOUND Dioxin ChemIDplus PCDD 48 KEGG_COMPOUND TCDD KEGG_COMPOUND Tetrachlorodibenzodioxin KEGG_COMPOUND dioxine ChemIDplus tetradioxin NIST_Chemistry_WebBook A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. 0 C4H11NO2 InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N 105.13568 105.07898 OCCNCCO CHEBI:23706 CHEBI:4519 CAS:111-42-2 HMDB:HMDB0004437 KEGG:C06772 KEGG:D02337 LINCS:LSM-26236 PMID:12571685 PMID:15304302 PMID:23567043 PMID:24275050 Reaxys:605315 UM-BBD_compID:c0589 Wikipedia:Diethanolamine 2,2'-iminodiethanol Diethanolamine diethanolamine chebi_ontology H2dea N,N-di(hydroxyethyl)amine bis-(2-hydroxy-ethyl)-amine diolamine CHEBI:28123 diethanolamine CAS:111-42-2 ChemIDplus CAS:111-42-2 KEGG COMPOUND PMID:12571685 Europe PMC PMID:15304302 Europe PMC PMID:23567043 Europe PMC PMID:24275050 Europe PMC Reaxys:605315 Reaxys UM-BBD_compID:c0589 UM-BBD 2,2'-iminodiethanol IUPAC Diethanolamine KEGG_COMPOUND diethanolamine IUPAC H2dea IUPAC N,N-di(hydroxyethyl)amine ChemIDplus bis-(2-hydroxy-ethyl)-amine ChEBI diolamine ChemIDplus A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. 0 C13H12Cl2N2 InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2 IBOFVQJTBBUKMU-UHFFFAOYSA-N 267.15400 266.03775 Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl CHEBI:1741 CHEBI:20264 CAS:101-14-4 KEGG:C10999 PMID:19447850 PMID:21501672 Reaxys:1882318 Wikipedia:4,4'-Methylenebis(2-chloroaniline) 4,4'-methanediylbis(2-chloroaniline) chebi_ontology MOCA Methylenebis(chloroaniline) CHEBI:28124 4,4'-methylene-bis-(2-chloroaniline) CAS:101-14-4 ChemIDplus CAS:101-14-4 KEGG COMPOUND PMID:19447850 Europe PMC PMID:21501672 Europe PMC Reaxys:1882318 Reaxys 4,4'-methanediylbis(2-chloroaniline) IUPAC MOCA KEGG_COMPOUND Methylenebis(chloroaniline) KEGG_COMPOUND 0 C36H56O14 InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1 CKNOLMVLQUPVMU-YMMLYESFSA-N 712.82144 712.36701 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O CHEBI:23725 CHEBI:4546 CAS:752-61-4 Drug_Central:3143 KEGG:C08862 KNApSAcK:C00003616 3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide Digitalin chebi_ontology Gitoxigenin 3-O-glucosyldigitaloside Glucostrospeside CHEBI:28143 digitalin CAS:752-61-4 ChemIDplus CAS:752-61-4 KEGG COMPOUND Drug_Central:3143 DrugCentral 3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide IUPAC Digitalin KEGG_COMPOUND Gitoxigenin 3-O-glucosyldigitaloside KEGG_COMPOUND Glucostrospeside ChemIDplus A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. 0 C12H8O InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H TXCDCPKCNAJMEE-UHFFFAOYSA-N 168.19132 168.05751 c1ccc2c(c1)oc1ccccc21 CHEBI:23680 CHEBI:4499 Beilstein:121100 CAS:132-64-9 Gmelin:67825 KEGG:C07729 PMID:12009135 PMID:20686914 PMID:21554085 Reaxys:121100 UM-BBD_compID:c0039 Wikipedia:Dibenzofuran Dibenzofuran dibenzo[b,d]furan dibenzofuran chebi_ontology DBF Diphenylene oxide CHEBI:28145 dibenzofuran Beilstein:121100 Beilstein CAS:132-64-9 ChemIDplus CAS:132-64-9 KEGG COMPOUND CAS:132-64-9 NIST Chemistry WebBook Gmelin:67825 Gmelin PMID:12009135 Europe PMC PMID:20686914 Europe PMC PMID:21554085 Europe PMC Reaxys:121100 Reaxys UM-BBD_compID:c0039 UM-BBD Dibenzofuran KEGG_COMPOUND dibenzo[b,d]furan IUPAC dibenzofuran UniProt DBF UM-BBD Diphenylene oxide KEGG_COMPOUND An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. 0 C7H7NO InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N 121.13662 121.05276 NC(=O)c1ccccc1 CHEBI:22701 CHEBI:3021 CHEBI:46351 Beilstein:385876 CAS:55-21-0 HMDB:HMDB0004461 KEGG:C09815 PMID:20133863 Reaxys:385876 UM-BBD_compID:c0368 Wikipedia:Benzamide Benzamide benzamide chebi_ontology Benzenecarboxamide Benzoic acid amide Benzoylamide PhC(=O)NH2 PhC(O)NH2 Phenylcarboxamide Phenylcarboxyamide CHEBI:28179 benzamide Beilstein:385876 Beilstein CAS:55-21-0 ChemIDplus CAS:55-21-0 KEGG COMPOUND CAS:55-21-0 NIST Chemistry WebBook PMID:20133863 Europe PMC Reaxys:385876 Reaxys UM-BBD_compID:c0368 UM-BBD Benzamide KEGG_COMPOUND benzamide IUPAC Benzenecarboxamide ChemIDplus Benzoic acid amide ChemIDplus Benzoylamide ChemIDplus PhC(=O)NH2 ChEBI PhC(O)NH2 ChEBI Phenylcarboxamide ChemIDplus Phenylcarboxyamide ChemIDplus An erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. 0 C37H67NO12 InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1 IDRYSCOQVVUBIJ-PPGFLMPOSA-N 717.92742 717.46633 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C CHEBI:23949 CHEBI:4842 Beilstein:5206722 Beilstein:74652 CAS:527-75-3 KEGG:C06653 KEGG:D03098 LIPID_MAPS_instance:LMPK04000012 MetaCyc:CPD-13805 PMID:10669574 PMID:20381987 PMID:21175699 Patent:CN101104631 Reaxys:74652 (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione Erythromycin B chebi_ontology 12-deoxyerythromycin Berythromycin beritromicina berythromycin berythromycine berythromycinum CHEBI:28196 erythromycin B Beilstein:5206722 ChemIDplus Beilstein:74652 Beilstein CAS:527-75-3 ChemIDplus LIPID_MAPS_instance:LMPK04000012 LIPID MAPS PMID:10669574 Europe PMC PMID:20381987 Europe PMC PMID:21175699 Europe PMC Reaxys:74652 Reaxys (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC Erythromycin B KEGG_COMPOUND 12-deoxyerythromycin ChemIDplus Berythromycin KEGG_COMPOUND beritromicina ChemIDplus berythromycin ChemIDplus berythromycine ChemIDplus berythromycinum ChemIDplus A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. 0 C15H10O4 InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N 254.23750 254.05791 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O CHEBI:23558 CHEBI:4306 Beilstein:231523 CAS:486-66-8 HMDB:HMDB0003312 KEGG:C10208 KNApSAcK:C00009380 LINCS:LSM-2935 LIPID_MAPS_instance:LMPK12050038 MetaCyc:DAIDZEIN PMID:11193416 PMID:16802696 PMID:23267126 PMID:23337939 PMID:23342971 PMID:23439294 PMID:9544566 Reaxys:231523 Wikipedia:Daidzein 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Daidzein chebi_ontology 4',7-dihydroxyisoflavone 7,4'-dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one daidzeol isoaurostatin CHEBI:28197 daidzein daidzein A chloroethanol carrying a chloro substituent at position 2. 0 C2H5ClO InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 SZIFAVKTNFCBPC-UHFFFAOYSA-N 80.51320 80.00289 OCCCl CHEBI:1044 CHEBI:19507 Beilstein:878139 CAS:107-07-3 Gmelin:25389 KEGG:C06753 PMID:20056735 PMID:21266185 PMID:767010 PMID:7766127 PMID:8462123 Reaxys:878139 UM-BBD_compID:c0005 Wikipedia:2-Chloroethanol 2-Chloroethanol 2-chloroethanol chebi_ontology 2-chloroethyl alcohol Ethylene chlorohydrin Glycol chlorohydrin beta-chloroethanol beta-chloroethyl alcohol CHEBI:28200 2-chloroethanol Beilstein:878139 Beilstein CAS:107-07-3 ChemIDplus CAS:107-07-3 KEGG COMPOUND CAS:107-07-3 NIST Chemistry WebBook Gmelin:25389 Gmelin PMID:20056735 Europe PMC PMID:21266185 Europe PMC PMID:767010 Europe PMC PMID:7766127 Europe PMC PMID:8462123 Europe PMC Reaxys:878139 Reaxys UM-BBD_compID:c0005 UM-BBD 2-Chloroethanol KEGG_COMPOUND 2-chloroethanol IUPAC 2-chloroethanol UniProt 2-chloroethyl alcohol NIST_Chemistry_WebBook Ethylene chlorohydrin KEGG_COMPOUND Glycol chlorohydrin KEGG_COMPOUND beta-chloroethanol NIST_Chemistry_WebBook beta-chloroethyl alcohol NIST_Chemistry_WebBook A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). 0 C23H22O6 InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 JUVIOZPCNVVQFO-HBGVWJBISA-N 394.423 394.14164 [H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C CHEBI:26583 CHEBI:8897 BPDB:587 Beilstein:99070 CAS:83-79-4 DrugBank:DB11457 FooDB:FDB012837 HMDB:HMDB0034436 KEGG:C07593 KNApSAcK:C00002568 LINCS:LSM-5260 LIPID_MAPS_instance:LMPK12060007 PDBeChem:970 PMID:14976342 PMID:15043430 PMID:15790535 PMID:17077549 PMID:19013527 PMID:32972993 PMID:33402167 PMID:33901458 PMID:33961406 Patent:CN102007944 Patent:CN102090406 Reaxys:99070 VSDB:587 Wikipedia:Rotenone (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one Rotenone chebi_ontology (-)-cis-rotenone (-)-rotenone (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one 5'beta-rotenone Derris [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one barbasco canex dactinol noxfire paraderil tubatoxin CHEBI:28201 rotenone Beilstein:99070 Beilstein CAS:83-79-4 ChemIDplus CAS:83-79-4 KEGG COMPOUND CAS:83-79-4 NIST Chemistry WebBook LIPID_MAPS_instance:LMPK12060007 LIPID MAPS PMID:14976342 Europe PMC PMID:15043430 Europe PMC PMID:15790535 Europe PMC PMID:17077549 Europe PMC PMID:19013527 Europe PMC PMID:32972993 Europe PMC PMID:33402167 Europe PMC PMID:33901458 Europe PMC PMID:33961406 Europe PMC Reaxys:99070 Reaxys (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one IUPAC Rotenone KEGG_COMPOUND (-)-cis-rotenone ChemIDplus (-)-rotenone ChemIDplus (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one ChEBI 5'beta-rotenone NIST_Chemistry_WebBook Derris ChEBI [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one NIST_Chemistry_WebBook barbasco ChemIDplus canex ChemIDplus dactinol ChemIDplus noxfire ChemIDplus paraderil ChemIDplus tubatoxin ChemIDplus A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group. 0 C3H3N InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 NLHHRLWOUZZQLW-UHFFFAOYSA-N 53.06260 53.02655 C=CC#N CHEBI:22217 CHEBI:2442 Beilstein:605310 CAS:107-13-1 KEGG:C01998 PDBeChem:6AC PMID:12075111 PMID:23043843 PMID:24248151 PMID:28782019 PMID:28965700 PMID:29217572 PMID:29713581 PMID:8330351 PMID:9598299 PPDB:2545 Reaxys:605310 UM-BBD_compID:c0148 Acrylonitrile acrylonitrile chebi_ontology 2-propenenitrile Acrylnitril Acrylsaeurenitril Propenenitrile Vinyl cyanide cyanure de vinyle nitrile acrylique CHEBI:28217 acrylonitrile Beilstein:605310 Beilstein CAS:107-13-1 ChemIDplus CAS:107-13-1 KEGG COMPOUND CAS:107-13-1 NIST Chemistry WebBook PMID:12075111 Europe PMC PMID:23043843 Europe PMC PMID:24248151 Europe PMC PMID:28782019 Europe PMC PMID:28965700 Europe PMC PMID:29217572 Europe PMC PMID:29713581 Europe PMC PMID:8330351 Europe PMC PMID:9598299 Europe PMC Reaxys:605310 Reaxys UM-BBD_compID:c0148 UM-BBD Acrylonitrile KEGG_COMPOUND acrylonitrile IUPAC 2-propenenitrile NIST_Chemistry_WebBook Acrylnitril ChemIDplus Acrylsaeurenitril ChEBI Propenenitrile KEGG_COMPOUND Vinyl cyanide KEGG_COMPOUND cyanure de vinyle ChemIDplus nitrile acrylique ChemIDplus A trichlorobenzene with chloro substituents at positions 1, 2 and 4. 0 C6H3Cl3 InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H PBKONEOXTCPAFI-UHFFFAOYSA-N 181.44612 179.93003 Clc1ccc(Cl)c(Cl)c1 CHEBI:18861 CHEBI:483 Beilstein:956819 CAS:120-82-1 Gmelin:261300 KEGG:C06594 MetaCyc:124-TCB PMID:16271379 Reaxys:956819 UM-BBD_compID:c0465 Wikipedia:1,2,4-Trichlorobenzene 1,2,4-Trichlorobenzene 1,2,4-trichlorobenzene chebi_ontology 1,2,4-Trichlorbenzol 1,2,5-trichlorobenzene Trichlorobenzene A as-trichlorobenzene unsym-trichlorobenzene CHEBI:28222 1,2,4-trichlorobenzene Beilstein:956819 Beilstein CAS:120-82-1 ChemIDplus CAS:120-82-1 KEGG COMPOUND CAS:120-82-1 NIST Chemistry WebBook Gmelin:261300 Gmelin PMID:16271379 Europe PMC Reaxys:956819 Reaxys UM-BBD_compID:c0465 UM-BBD 1,2,4-Trichlorobenzene KEGG_COMPOUND 1,2,4-trichlorobenzene IUPAC 1,2,4-trichlorobenzene UniProt 1,2,4-Trichlorbenzol ChEBI 1,2,5-trichlorobenzene UM-BBD Trichlorobenzene A KEGG_COMPOUND as-trichlorobenzene NIST_Chemistry_WebBook unsym-trichlorobenzene ChemIDplus 0 C37H65NO14 InChI=1S/C37H65NO14/c1-13-25-36(9,45)29(41)20(4)26(39)18(2)15-34(7,44)31(50-33-27(40)24(38(10)11)14-19(3)48-33)21(5)28-23(32(43)49-25)16-47-37(52-28)17-35(8,46-12)30(42)22(6)51-37/h18-25,27-31,33,40-42,44-45H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,27-,28+,29-,30+,31-,33+,34-,35-,36-,37-/m1/s1 PRUSTPADOGZAML-LMXGZOGMSA-N 747.91034 747.44051 CC[C@H]1OC(=O)[C@@H]2CO[C@@]3(C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)O[C@H]2[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O CHEBI:23952 CHEBI:4845 CAS:41451-91-6 KEGG:C06634 (2S,4'R,4aR,5'S,6'S,7R,8S,9R,10R,12R,14R,15R,16S,16aS)-7-ethyl-5',8,9,14-tetrahydroxy-4'-methoxy-4',6',8,10,12,14,16-heptamethyl-15-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]hexadecahydro-5H,11H-spiro[1,3-dioxino[5,4-c]oxacyclotetradecine-2,2'-pyran]-5,11-dione Erythromycin E chebi_ontology 1'',16-epoxyerythromycin CHEBI:28239 erythromycin E CAS:41451-91-6 ChemIDplus (2S,4'R,4aR,5'S,6'S,7R,8S,9R,10R,12R,14R,15R,16S,16aS)-7-ethyl-5',8,9,14-tetrahydroxy-4'-methoxy-4',6',8,10,12,14,16-heptamethyl-15-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]hexadecahydro-5H,11H-spiro[1,3-dioxino[5,4-c]oxacyclotetradecine-2,2'-pyran]-5,11-dione IUPAC Erythromycin E KEGG_COMPOUND 1'',16-epoxyerythromycin ChemIDplus A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. 0 C2H6OS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 IAZDPXIOMUYVGZ-UHFFFAOYSA-N 78.13444 78.01394 CS(C)=O CHEBI:23801 CHEBI:42138 CHEBI:4612 Beilstein:506008 CAS:67-68-5 Chemspider:659 DrugBank:DB01093 Drug_Central:906 FooDB:FDB000764 Gmelin:1556 HMDB:HMDB0002151 KEGG:C11143 KEGG:D01043 KNApSAcK:C00053120 LINCS:LSM-36361 MetaCyc:DMSO PDBeChem:DMS PMID:10298633 PMID:11162043 PMID:11350866 PMID:11474739 PMID:12663039 PMID:15237653 PMID:15588915 PMID:15868171 PMID:16434015 PMID:16522014 PMID:19096138 PMID:19382398 PMID:19443933 PMID:20828537 PMID:21426213 PMID:22030943 PMID:22722716 PMID:22768202 PMID:22814967 PMID:23050031 PMID:23313473 PMID:28220525 PMID:29938311 PMID:31489176 PMID:3510103 PMID:3898376 PMID:3916302 PMID:4223708 PMID:4556944 PMID:4963226 PMID:6309056 PMID:6379027 Reaxys:506008 UM-BBD_compID:c0236 Wikipedia:Dimethyl_sulfoxide (methanesulfinyl)methane DIMETHYL SULFOXIDE Dimethyl sulfoxide dimethyl sulfoxide chebi_ontology (CH3)2SO DMSO Dimethylsulfoxid S(O)Me2 dimethyl sulfoxide dimethyl sulfur oxide dimethyl sulphoxide dimethyli sulfoxidum dimethylsulfoxyde dimetil sulfoxido dmso methylsulfinylmethane sulfinylbis(methane) CHEBI:28262 dimethyl sulfoxide dimethyl sulfoxide Beilstein:506008 Beilstein CAS:67-68-5 ChemIDplus CAS:67-68-5 KEGG COMPOUND CAS:67-68-5 NIST Chemistry WebBook Drug_Central:906 DrugCentral Gmelin:1556 Gmelin PMID:10298633 Europe PMC PMID:11162043 Europe PMC PMID:11350866 Europe PMC PMID:11474739 Europe PMC PMID:12663039 Europe PMC PMID:15237653 Europe PMC PMID:15588915 Europe PMC PMID:15868171 Europe PMC PMID:16434015 Europe PMC PMID:16522014 Europe PMC PMID:19096138 Europe PMC PMID:19382398 Europe PMC PMID:19443933 Europe PMC PMID:20828537 Europe PMC PMID:21426213 Europe PMC PMID:22030943 Europe PMC PMID:22722716 Europe PMC PMID:22768202 Europe PMC PMID:22814967 Europe PMC PMID:23050031 Europe PMC PMID:23313473 Europe PMC PMID:28220525 Europe PMC PMID:29938311 Europe PMC PMID:31489176 Europe PMC PMID:3510103 Europe PMC PMID:3898376 Europe PMC PMID:3916302 Europe PMC PMID:4223708 Europe PMC PMID:4556944 Europe PMC PMID:4963226 Europe PMC PMID:6309056 Europe PMC PMID:6379027 Europe PMC Reaxys:506008 Reaxys UM-BBD_compID:c0236 UM-BBD (methanesulfinyl)methane IUPAC DIMETHYL SULFOXIDE PDBeChem Dimethyl sulfoxide KEGG_COMPOUND dimethyl sulfoxide IUPAC dimethyl sulfoxide UniProt (CH3)2SO NIST_Chemistry_WebBook DMSO KEGG_COMPOUND Dimethylsulfoxid ChEBI S(O)Me2 ChEBI dimethyl sulfoxide ChemIDplus dimethyl sulfur oxide NIST_Chemistry_WebBook dimethyl sulphoxide ChemIDplus dimethyli sulfoxidum ChemIDplus dimethylsulfoxyde ChemIDplus dimetil sulfoxido ChemIDplus dmso IUPAC methylsulfinylmethane ChemIDplus sulfinylbis(methane) ChemIDplus An ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives 0 C13H10 InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 NIHNNTQXNPWCJQ-UHFFFAOYSA-N 166.223 166.07825 C1C2=CC=CC=C2C2=CC=CC=C12 CHEBI:24058 CHEBI:5112 Beilstein:1363491 CAS:86-73-7 Chemspider:6592 FooDB:FDB007671 Gmelin:28451 KEGG:C07715 MetaCyc:FLUORENE PDBeChem:9FL PMID:15120562 PMID:15800860 PMID:16539455 PMID:17129129 PMID:17243671 PMID:17285163 PMID:17824593 PMID:19060398 PMID:21110374 PMID:21478643 PMID:23202077 PMID:24584240 PMID:24889657 PMID:28409789 Reaxys:1363491 UM-BBD_compID:c0388 Wikipedia:Fluorene 9H-fluorene Fluorene fluorene chebi_ontology 2,2'-Methylenebiphenyl 2,3-benzindene Diphenylenemethane Fluoren o-biphenylenemethane o-biphenylmethane CHEBI:28266 fluorene Beilstein:1363491 Beilstein CAS:86-73-7 ChemIDplus CAS:86-73-7 KEGG COMPOUND CAS:86-73-7 NIST Chemistry WebBook Gmelin:28451 Gmelin PMID:15120562 Europe PMC PMID:15800860 Europe PMC PMID:16539455 Europe PMC PMID:17129129 Europe PMC PMID:17243671 Europe PMC PMID:17285163 Europe PMC PMID:17824593 Europe PMC PMID:19060398 Europe PMC PMID:21110374 Europe PMC PMID:21478643 Europe PMC PMID:23202077 Europe PMC PMID:24584240 Europe PMC PMID:24889657 Europe PMC PMID:28409789 Europe PMC Reaxys:1363491 Reaxys UM-BBD_compID:c0388 UM-BBD 9H-fluorene IUPAC Fluorene KEGG_COMPOUND fluorene IUPAC 2,2'-Methylenebiphenyl KEGG_COMPOUND 2,3-benzindene ChemIDplus Diphenylenemethane KEGG_COMPOUND Fluoren ChEBI o-biphenylenemethane NIST_Chemistry_WebBook o-biphenylmethane ChemIDplus An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. 0 C5H10N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N 146.14458 146.06914 NC(CCC(N)=O)C(O)=O CHEBI:24316 CHEBI:5432 Beilstein:1723795 CAS:585-21-7 CAS:6899-04-3 Gmelin:27318 KEGG:C00303 KNApSAcK:C00001359 Reaxys:1723795 Wikipedia:Glutamine Glutamine glutamine chebi_ontology 2,5-diamino-5-oxopentanoic acid 2-Aminoglutaramic acid 2-amino-4-carbamoylbutanoic acid Glutamin Glutaminsaeure-5-amid Hgln glutamic acid gamma-amide CHEBI:28300 glutamine Beilstein:1723795 Beilstein CAS:585-21-7 ChemIDplus CAS:6899-04-3 ChemIDplus CAS:6899-04-3 KEGG COMPOUND Gmelin:27318 Gmelin Reaxys:1723795 Reaxys Glutamine KEGG_COMPOUND glutamine IUPAC 2,5-diamino-5-oxopentanoic acid IUPAC 2-Aminoglutaramic acid KEGG_COMPOUND 2-amino-4-carbamoylbutanoic acid JCBN Glutamin ChEBI Glutaminsaeure-5-amid ChEBI Hgln IUPAC glutamic acid gamma-amide ChEBI A highly sulfated linear glycosaminoglycan comprising complex patterns of uronic acid-(1->4)-D-glucosamine repeating subunits. Used as an injectable anticoagulant, it has the highest negative charge density of any known biological molecule. (C26H40N2O36S5)n CHEBI:24501 CHEBI:5664 CAS:9005-49-6 DrugBank:DB01109 KEGG:C00374 KEGG:D07510 PMID:16860191 PMID:18809206 PMID:8713797 Wikipedia:Heparin Heparin heparin chebi_ontology Bemiparin Certoparin Cy 222 Enoxaparin Fluxum Heparinic acid Parnaparin Reviparin Sandoparin heparina heparine heparinum CHEBI:28304 heparin CAS:9005-49-6 ChemIDplus CAS:9005-49-6 KEGG COMPOUND PMID:16860191 Europe PMC PMID:18809206 Europe PMC PMID:8713797 Europe PMC Heparin KEGG_COMPOUND heparin UniProt Bemiparin ChemIDplus Bemiparin KEGG_COMPOUND Certoparin ChemIDplus Cy 222 ChemIDplus Enoxaparin KEGG_COMPOUND Fluxum ChemIDplus Heparinic acid ChemIDplus Parnaparin ChemIDplus Reviparin ChemIDplus Sandoparin ChemIDplus heparina ChemIDplus heparine ChemIDplus heparinum ChemIDplus The D-stereoisomer of galactosamine. 0 C6H13NO5 179.171 179.07937 CHEBI:20951 CHEBI:4135 CHEBI:447526 PMID:16530410 PMID:19067146 PMID:6196640 Wikipedia:Galactosamine chebi_ontology CHEBI:28328 D-galactosamine PMID:16530410 ChEMBL PMID:19067146 Europe PMC PMID:6196640 Europe PMC 0 C36H65NO12 InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 CLQUUOKNEOQBSW-KEGKUKQHSA-N 703.90084 703.45068 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C CHEBI:23951 CHEBI:4844 Beilstein:8466359 KEGG:C06633 PDBeChem:EY5 (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione Erythromycin D chebi_ontology CHEBI:28331 erythromycin D Beilstein:8466359 Beilstein (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC Erythromycin D KEGG_COMPOUND A racemate comprising equimolar amounts of (R)- and (S)-lactic acid. 0 C3H6O3 InChI=1S/2C3H6O3/c2*1-2(4)3(5)6/h2*2,4H,1H3,(H,5,6)/t2*2-/m10/s1 KVZLHPXEUGJPAH-QNDGGIRCSA-N 180.156 180.06339 C(=O)([C@@H](O)C)O.C(=O)([C@H](O)C)O CHEBI:24998 CHEBI:6351 Beilstein:1209341 CAS:50-21-5 DrugBank:DB04398 KEGG:C01432 KEGG:D00111 LIPID_MAPS_instance:LMFA01050002 PMID:17190852 PMID:29079364 Reaxys:1209341 Wikipedia:Lactic_acid rac-2-hydroxypropanoic acid chebi_ontology (+-)-2-hydroxypropanoic acid 2-Hydroxypropanoic acid 2-Hydroxypropionic acid E270 Lactic acid Milchsaeure alpha-hydroxypropanoic acid alpha-hydroxypropionic acid CHEBI:28358 rac-lactic acid Beilstein:1209341 Beilstein CAS:50-21-5 ChemIDplus CAS:50-21-5 KEGG COMPOUND CAS:50-21-5 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA01050002 LIPID MAPS PMID:17190852 Europe PMC PMID:29079364 Europe PMC Reaxys:1209341 Reaxys rac-2-hydroxypropanoic acid IUPAC (+-)-2-hydroxypropanoic acid ChEBI 2-Hydroxypropanoic acid KEGG_COMPOUND 2-Hydroxypropionic acid KEGG_COMPOUND E270 ChEBI Lactic acid KEGG_COMPOUND Milchsaeure ChEBI alpha-hydroxypropanoic acid NIST_Chemistry_WebBook alpha-hydroxypropionic acid NIST_Chemistry_WebBook CHEBI:10197 CHEBI:13780 CHEBI:22361 KEGG:C04025 alpha,omega-Dicarboxylic acid chebi_ontology alpha(omega)-Dicarboxylic acid alpha,omega-dicarboxylic acids CHEBI:28383 alpha,omega-dicarboxylic acid alpha,omega-Dicarboxylic acid KEGG_COMPOUND alpha(omega)-Dicarboxylic acid KEGG_COMPOUND alpha,omega-dicarboxylic acids ChEBI Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. vitamin k http://langual.org CHEBI:10009 CHEBI:27301 CHEBI:27307 CAS:12001-79-5 KEGG:C01628 MetaCyc:CPD-11501 PMID:26413183 PMID:33255760 PMID:34109217 Wikipedia:Vitamin_K http://www.langual.org/langual_thesaurus.asp?termid=B3754 Vitamin K chebi_ontology vitamin K vitamer vitamin K vitamers vitamine K vitamins K CHEBI:28384 vitamin K CAS:12001-79-5 ChemIDplus CAS:12001-79-5 KEGG COMPOUND PMID:26413183 Europe PMC PMID:33255760 Europe PMC PMID:34109217 Europe PMC Vitamin K KEGG_COMPOUND vitamin K vitamer ChEBI vitamin K vitamers ChEBI vitamine K ChEBI vitamins K ChEBI A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. 0 C4H8O InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 ZWEHNKRNPOVVGH-UHFFFAOYSA-N 72.10572 72.05751 CCC(C)=O CHEBI:25249 CHEBI:6858 Beilstein:741880 CAS:78-93-3 Gmelin:25656 HMDB:HMDB0000474 KEGG:C02845 LIPID_MAPS_instance:LMFA12000043 MetaCyc:MEK PMID:20403429 PMID:23050457 Reaxys:741880 UM-BBD_compID:c0020 Wikipedia:Butanone butan-2-one chebi_ontology 2-Butanon 2-Butanone 3-butanone Aethylmethylketon C2H5COCH3 Ethyl methyl ketone Ethylmethylketon MEK Methyl ethyl ketone Methylethylketon butanone butanone 2 ethyl methyl cetone ethyl(methyl) ketone ethylmethyl ketone meetco methyl acetone methyl ethyl cetone methyl(ethyl) ketone methylacetone methylethyl ketone oxobutane CHEBI:28398 butan-2-one Beilstein:741880 Beilstein CAS:78-93-3 ChemIDplus CAS:78-93-3 KEGG COMPOUND CAS:78-93-3 NIST Chemistry WebBook Gmelin:25656 Gmelin LIPID_MAPS_instance:LMFA12000043 LIPID MAPS PMID:20403429 Europe PMC PMID:23050457 Europe PMC Reaxys:741880 Reaxys UM-BBD_compID:c0020 UM-BBD butan-2-one IUPAC butan-2-one UniProt 2-Butanon ChEBI 2-Butanone KEGG_COMPOUND 3-butanone ChemIDplus Aethylmethylketon ChemIDplus C2H5COCH3 NIST_Chemistry_WebBook Ethyl methyl ketone KEGG_COMPOUND Ethylmethylketon NIST_Chemistry_WebBook MEK KEGG_COMPOUND Methyl ethyl ketone KEGG_COMPOUND Methylethylketon ChEBI butanone NIST_Chemistry_WebBook butanone 2 NIST_Chemistry_WebBook ethyl methyl cetone ChemIDplus ethyl(methyl) ketone ChEBI ethylmethyl ketone ChEBI meetco UM-BBD methyl acetone ChemIDplus methyl ethyl cetone ChEBI methyl(ethyl) ketone ChEBI methylacetone NIST_Chemistry_WebBook methylethyl ketone ChemIDplus oxobutane UM-BBD The beta-isomer of hexachlorocyclohexane. 0 C6H6Cl6 InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6- JLYXXMFPNIAWKQ-CDRYSYESSA-N 290.82804 287.86007 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl CHEBI:22757 CHEBI:3071 Beilstein:1907338 CAS:319-85-7 KEGG:C06988 PMID:19760616 PMID:23866943 PMID:24183346 PMID:24361731 PMID:32525731 PMID:32675895 PMID:32906049 Reaxys:1907338 UM-BBD_compID:c0139 (1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane beta-Hexachlorocyclohexane chebi_ontology (1alpha,2beta,3alpha,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane beta-1,2,3,4,5,6-Hexachlorocyclohexane beta-1,2,3,4,5,6-hexachlorocyclohexane beta-BHC beta-HCH beta-Lindane beta-benzene hexachloride beta-lindane trans-1,2,3,4,5,6-hexachlorocyclohexane CHEBI:28428 beta-hexachlorocyclohexane Beilstein:1907338 ChemIDplus CAS:319-85-7 ChemIDplus CAS:319-85-7 KEGG COMPOUND CAS:319-85-7 NIST Chemistry WebBook PMID:19760616 Europe PMC PMID:23866943 Europe PMC PMID:24183346 Europe PMC PMID:24361731 Europe PMC PMID:32525731 Europe PMC PMID:32675895 Europe PMC PMID:32906049 Europe PMC Reaxys:1907338 Reaxys UM-BBD_compID:c0139 UM-BBD (1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane IUPAC beta-Hexachlorocyclohexane KEGG_COMPOUND (1alpha,2beta,3alpha,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane NIST_Chemistry_WebBook beta-1,2,3,4,5,6-Hexachlorocyclohexane KEGG_COMPOUND beta-1,2,3,4,5,6-hexachlorocyclohexane NIST_Chemistry_WebBook beta-BHC KEGG_COMPOUND beta-BHC NIST_Chemistry_WebBook beta-HCH NIST_Chemistry_WebBook beta-Lindane KEGG_COMPOUND beta-benzene hexachloride NIST_Chemistry_WebBook beta-lindane NIST_Chemistry_WebBook trans-1,2,3,4,5,6-hexachlorocyclohexane NIST_Chemistry_WebBook An optically active form of tyrosine having D-configuration. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1 OUYCCCASQSFEME-MRVPVSSYSA-N 181.18858 181.07389 N[C@H](Cc1ccc(O)cc1)C(O)=O CHEBI:21111 CHEBI:42299 CHEBI:4258 Beilstein:2212157 CAS:556-02-5 DrugBank:DB03839 ECMDB:ECMDB21520 Gmelin:603524 KEGG:C06420 MetaCyc:D-TYROSINE PDBeChem:DTY PMID:15292242 PMID:23381872 PMID:24936396 Reaxys:2212157 YMDB:YMDB00805 D-TYROSINE D-Tyrosine D-tyrosine chebi_ontology (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid (R)-2-Amino-3-(p-hydroxyphenyl)propionic acid (R)-3-(p-Hydroxyphenyl)alanine D-Tyr D-Tyrosin DTY CHEBI:28479 D-tyrosine Beilstein:2212157 Beilstein CAS:556-02-5 ChemIDplus CAS:556-02-5 KEGG COMPOUND Gmelin:603524 Gmelin PMID:15292242 Europe PMC PMID:23381872 Europe PMC PMID:24936396 Europe PMC Reaxys:2212157 Reaxys D-TYROSINE PDBeChem D-Tyrosine KEGG_COMPOUND D-tyrosine IUPAC (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC (R)-2-Amino-3-(p-hydroxyphenyl)propionic acid KEGG_COMPOUND (R)-3-(p-Hydroxyphenyl)alanine KEGG_COMPOUND D-Tyr ChEBI D-Tyrosin ChEBI DTY PDBeChem A C5, branched-chain saturated fatty acid. 0 C5H10O2 InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) GWYFCOCPABKNJV-UHFFFAOYSA-N 102.13170 102.06808 CC(C)CC(O)=O CHEBI:24930 CHEBI:43426 CHEBI:6069 Beilstein:1098522 CAS:503-74-2 DrugBank:DB03750 Gmelin:101117 KEGG:C08262 KNApSAcK:C00001189 LIPID_MAPS_instance:LMFA01020181 PDBeChem:IVA PMID:12743728 PPDB:3129 3-methylbutanoic acid ISOVALERIC ACID Isovaleric acid chebi_ontology 3-Methylbutanoic acid 3-Methylbuttersaeure 3-methyl-n-butyric acid 3-methylbutyric acid Isovalerate Isovaleriansaeure beta-methylbutyric acid delphinic acid isobutylformic acid isopentanoic acid isopropylacetic acid isovalerianic acid CHEBI:28484 isovaleric acid Beilstein:1098522 ChemIDplus CAS:503-74-2 ChemIDplus CAS:503-74-2 KEGG COMPOUND CAS:503-74-2 NIST Chemistry WebBook Gmelin:101117 Gmelin LIPID_MAPS_instance:LMFA01020181 LIPID MAPS PMID:12743728 Europe PMC 3-methylbutanoic acid IUPAC ISOVALERIC ACID PDBeChem Isovaleric acid KEGG_COMPOUND 3-Methylbutanoic acid KEGG_COMPOUND 3-Methylbuttersaeure ChEBI 3-methyl-n-butyric acid ChEBI 3-methylbutyric acid NIST_Chemistry_WebBook Isovalerate KEGG_COMPOUND Isovaleriansaeure ChEBI beta-methylbutyric acid NIST_Chemistry_WebBook delphinic acid ChemIDplus isobutylformic acid ChemIDplus isopentanoic acid ChemIDplus isopropylacetic acid ChemIDplus isovalerianic acid ChemIDplus An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. 0 C33H40N2O9 InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 QEVHRUUCFGRFIF-MDEJGZGSSA-N 608.67870 608.27338 [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 CHEBI:26531 CHEBI:8808 Beilstein:102014 Beilstein:5326088 CAS:50-55-5 DrugBank:DB00206 Drug_Central:2370 HMDB:HMDB0014351 KEGG:C06539 KEGG:D00197 KNApSAcK:C00001763 LINCS:LSM-4162 PMID:20701244 PMID:20825390 PMID:24603678 Reaxys:102014 Wikipedia:Reserpine Reserpine methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate chebi_ontology (-)-reserpine (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester 3,4,5-trimethoxybenzoyl methyl reserpate Apoplon Reserpin Serpalan CHEBI:28487 reserpine Beilstein:102014 Beilstein Beilstein:5326088 Beilstein CAS:50-55-5 ChemIDplus CAS:50-55-5 KEGG COMPOUND CAS:50-55-5 NIST Chemistry WebBook Drug_Central:2370 DrugCentral PMID:20701244 Europe PMC PMID:20825390 Europe PMC PMID:24603678 Europe PMC Reaxys:102014 Reaxys Reserpine KEGG_COMPOUND methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate IUPAC (-)-reserpine ChemIDplus (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester NIST_Chemistry_WebBook 3,4,5-trimethoxybenzoyl methyl reserpate ChemIDplus Apoplon ChemIDplus Reserpin NIST_Chemistry_WebBook Serpalan NIST_Chemistry_WebBook A xylene carrying methyl groups at positions 1 and 3. 0 C8H10 InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 IVSZLXZYQVIEFR-UHFFFAOYSA-N 106.16500 106.07825 Cc1cccc(C)c1 CHEBI:10590 CHEBI:25100 Beilstein:605441 CAS:108-38-3 Gmelin:101390 HMDB:HMDB0059810 KEGG:C07208 MetaCyc:META-XYLENE PMID:14755610 PMID:22360283 PMID:24389912 Reaxys:605441 UM-BBD_compID:c0240 Wikipedia:M-xylene 1,3-xylene m-Xylene m-xylene chebi_ontology 1,3-Dimethylbenzene 1,3-Dimethylbenzol 1,3-Xylene 3-xylene m-Xylol m-dimethylbenzene m-methyltoluene meta-xylene CHEBI:28488 m-xylene Beilstein:605441 Beilstein CAS:108-38-3 ChemIDplus CAS:108-38-3 KEGG COMPOUND CAS:108-38-3 NIST Chemistry WebBook Gmelin:101390 Gmelin PMID:14755610 Europe PMC PMID:22360283 Europe PMC PMID:24389912 Europe PMC Reaxys:605441 Reaxys UM-BBD_compID:c0240 UM-BBD 1,3-xylene IUPAC m-Xylene KEGG_COMPOUND m-xylene UniProt 1,3-Dimethylbenzene KEGG_COMPOUND 1,3-Dimethylbenzol ChEBI 1,3-Xylene KEGG_COMPOUND 3-xylene ChemIDplus m-Xylol UM-BBD m-dimethylbenzene UM-BBD m-methyltoluene NIST_Chemistry_WebBook meta-xylene NIST_Chemistry_WebBook A 1-ribosylimidazolecarboxamide in which the carboxamide group is situated at position 4 of the imidazole ring, which is further substituted at position 5 by an amino group. A purine nucleoside analogue and activator of AMP-activated protein kinase, it is is used for the treatment of acute lymphoblastic leukemia and is reported to have cardioprotective effects. 0 C9H14N4O5 InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1 RTRQQBHATOEIAF-UUOKFMHZSA-N 258.23130 258.09642 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N CHEBI:2025 CHEBI:20539 CAS:2627-69-2 DrugBank:DB04944 Drug_Central:37 KEGG:D02742 PMID:17513706 PMID:17706943 PMID:18090925 PMID:18457469 PMID:18671468 PMID:20185792 PMID:20367195 PMID:21244913 PMID:23228986 PMID:24303202 PMID:24519895 PMID:24778186 PMID:8227467 PMID:8458030 Reaxys:38255 Wikipedia:Acadesine 5-amino-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide chebi_ontology 5-amino-1-beta-D-ribofuranosyl-4-imidazolecarboxamide 5-amino-1-beta-D-ribofuranosylimidazole-4-carboxamide 5-amino-1-beta-ribofuranosyl-imidazole-4-carboxamide 5-amino-1-ribofuranosylimidazole-4-carboxamide 5-amino-1beta-D-ribofuranosylimidazole-4-carboxyamide 5-amino-4-imidazolecarboxamide ribofuranoside 5-aminoimidazole-4-carboxamide ribonucleoside AIC-Riboside AICA-riboside AICAr EC Number 220-097-5 GP 1-110 GP-1-110 N(1)-(beta-D-ribofuranosyl)-5-aminoimidazole-4-carboxamide acadesina acadesine acadesinum CHEBI:28498 acadesine CAS:2627-69-2 ChemIDplus CAS:2627-69-2 KEGG DRUG Drug_Central:37 DrugCentral PMID:17513706 Europe PMC PMID:17706943 Europe PMC PMID:18090925 Europe PMC PMID:18457469 Europe PMC PMID:18671468 Europe PMC PMID:20185792 Europe PMC PMID:20367195 Europe PMC PMID:21244913 Europe PMC PMID:23228986 Europe PMC PMID:24303202 Europe PMC PMID:24519895 Europe PMC PMID:24778186 Europe PMC PMID:8227467 Europe PMC PMID:8458030 Europe PMC Reaxys:38255 Reaxys 5-amino-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide IUPAC 5-amino-1-beta-D-ribofuranosyl-4-imidazolecarboxamide ChemIDplus 5-amino-1-beta-D-ribofuranosylimidazole-4-carboxamide ChemIDplus 5-amino-1-beta-ribofuranosyl-imidazole-4-carboxamide ChemIDplus 5-amino-1-ribofuranosylimidazole-4-carboxamide ChEBI 5-amino-1beta-D-ribofuranosylimidazole-4-carboxyamide ChemIDplus 5-amino-4-imidazolecarboxamide ribofuranoside ChemIDplus 5-aminoimidazole-4-carboxamide ribonucleoside ChemIDplus AIC-Riboside ChemIDplus AICA-riboside ChemIDplus AICAr ChEBI EC Number 220-097-5 ChEBI GP 1-110 ChemIDplus GP-1-110 ChemIDplus N(1)-(beta-D-ribofuranosyl)-5-aminoimidazole-4-carboxamide ChEBI acadesina WHO_MedNet acadesine WHO_MedNet acadesinum WHO_MedNet A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. 0 C2H3Cl InChI=1S/C2H3Cl/c1-2-3/h2H,1H2 BZHJMEDXRYGGRV-UHFFFAOYSA-N 62.49792 61.99233 ClC=C CHEBI:27293 CHEBI:9990 Beilstein:1731576 CAS:75-01-4 Gmelin:100541 KEGG:C06793 PMID:15989139 PMID:18678006 Reaxys:1731576 UM-BBD_compID:c0358 Wikipedia:Chloroethene chloroethene chebi_ontology Chloroethylene VC Vinyl chloride Vinylchlorid chlorure de vinyle cloroetileno cloruro de vinilo ethylene monochloride monochloroethene monochloroethylene monovinyl chloride CHEBI:28509 chloroethene Beilstein:1731576 Beilstein CAS:75-01-4 ChemIDplus CAS:75-01-4 KEGG COMPOUND CAS:75-01-4 NIST Chemistry WebBook Gmelin:100541 Gmelin PMID:15989139 Europe PMC PMID:18678006 Europe PMC Reaxys:1731576 Reaxys UM-BBD_compID:c0358 UM-BBD chloroethene IUPAC chloroethene UniProt Chloroethylene KEGG_COMPOUND VC UM-BBD Vinyl chloride KEGG_COMPOUND Vinylchlorid ChemIDplus chlorure de vinyle ChemIDplus cloroetileno ChEBI cloruro de vinilo ChEBI ethylene monochloride ChemIDplus monochloroethene ChemIDplus monochloroethylene ChemIDplus monovinyl chloride ChemIDplus A trichlorophenol carrying chloro groups at positions 2, 4 and 5. 0 C6H3Cl3O InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H LHJGJYXLEPZJPM-UHFFFAOYSA-N 197.44552 195.92495 Oc1cc(Cl)c(Cl)cc1Cl CHEBI:19330 CHEBI:49904 CHEBI:896 Beilstein:607569 CAS:95-95-4 Gmelin:102425 KEGG:C07101 PDBeChem:TC7 PMID:24078273 PMID:24361703 PMID:24410196 PPDB:963 Reaxys:607569 UM-BBD_compID:c0362 2,4,5-Trichlorophenol 2,4,5-trichlorophenol chebi_ontology 2,4,5-TCP CHEBI:28520 2,4,5-trichlorophenol Beilstein:607569 Beilstein CAS:95-95-4 ChemIDplus CAS:95-95-4 KEGG COMPOUND CAS:95-95-4 NIST Chemistry WebBook Gmelin:102425 Gmelin PMID:24078273 Europe PMC PMID:24361703 Europe PMC PMID:24410196 Europe PMC Reaxys:607569 Reaxys UM-BBD_compID:c0362 UM-BBD 2,4,5-Trichlorophenol KEGG_COMPOUND 2,4,5-trichlorophenol IUPAC 2,4,5-TCP ChemIDplus A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae. 0 C2H4Br2 InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 PAAZPARNPHGIKF-UHFFFAOYSA-N 187.86116 185.86798 BrCCBr CHEBI:18880 CHEBI:496 Beilstein:605266 CAS:106-93-4 Gmelin:1913 HMDB:HMDB0060334 KEGG:C11088 MetaCyc:12-DIBROMOETHANE PMID:10088182 PMID:11312844 PPDB:1484 Reaxys:605266 Wikipedia:1,2-Dibromoethane 1,2-Dibromoethane 1,2-dibromoethane chebi_ontology DBE EDB Ethylene dibromide alpha,beta-dibromoethane alpha,omega-dibromoethane ethylene bromide sym-Dibromoethane CHEBI:28534 1,2-dibromoethane Beilstein:605266 Beilstein CAS:106-93-4 ChemIDplus CAS:106-93-4 KEGG COMPOUND CAS:106-93-4 NIST Chemistry WebBook Gmelin:1913 Gmelin PMID:10088182 Europe PMC PMID:11312844 Europe PMC Reaxys:605266 Reaxys 1,2-Dibromoethane KEGG_COMPOUND 1,2-dibromoethane IUPAC 1,2-dibromoethane UniProt DBE NIST_Chemistry_WebBook EDB NIST_Chemistry_WebBook Ethylene dibromide KEGG_COMPOUND alpha,beta-dibromoethane NIST_Chemistry_WebBook alpha,omega-dibromoethane ChemIDplus ethylene bromide NIST_Chemistry_WebBook sym-Dibromoethane ChemIDplus A member of the class of caprolactams that is azepane substituted by an oxo group at position 2. 0 C6H11NO InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) JBKVHLHDHHXQEQ-UHFFFAOYSA-N 113.15768 113.08406 O=C1CCCCCN1 CHEBI:10555 CHEBI:23936 Beilstein:106934 CAS:105-60-2 Gmelin:101802 KEGG:C06593 KNApSAcK:C00000318 MetaCyc:CPD-883 PDBeChem:ICC PMID:17161908 PMID:2263224 PMID:9688819 Patent:KR20120003540 Patent:US2011183386 Patent:WO2011108251 Reaxys:106934 UM-BBD_compID:c0432 Wikipedia:Caprolactam azepan-2-one epsilon-Caprolactam epsilon-caprolactam chebi_ontology 2-ketohexamethyleneimine 2-oxohexamethylenimine 6-caprolactam Kaprolaktam aminocaproic lactam caprolactam hexahydro-2H-azepin-2-one CHEBI:28579 epsilon-caprolactam Beilstein:106934 Beilstein CAS:105-60-2 ChemIDplus CAS:105-60-2 KEGG COMPOUND CAS:105-60-2 NIST Chemistry WebBook Gmelin:101802 Gmelin PMID:17161908 Europe PMC PMID:2263224 Europe PMC PMID:9688819 Europe PMC Reaxys:106934 Reaxys UM-BBD_compID:c0432 UM-BBD azepan-2-one IUPAC epsilon-Caprolactam KEGG_COMPOUND epsilon-caprolactam NIST_Chemistry_WebBook 2-ketohexamethyleneimine NIST_Chemistry_WebBook 2-oxohexamethylenimine NIST_Chemistry_WebBook 6-caprolactam NIST_Chemistry_WebBook Kaprolaktam ChEBI aminocaproic lactam NIST_Chemistry_WebBook caprolactam NIST_Chemistry_WebBook hexahydro-2H-azepin-2-one NIST_Chemistry_WebBook A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. 0 C7H8O2 InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 LHGVFZTZFXWLCP-UHFFFAOYSA-N 124.13722 124.05243 COc1ccccc1O CHEBI:24434 CHEBI:5549 CAS:90-05-1 Drug_Central:1334 HMDB:HMDB0001398 KEGG:C01502 KEGG:C15572 KEGG:D00117 KNApSAcK:C00002654 KNApSAcK:C00029459 LINCS:LSM-6001 MetaCyc:CPD-400 PDBeChem:JZ3 PMID:22103597 PMID:23587706 PMID:24295708 Patent:RU94026717 Reaxys:508112 Wikipedia:Guaiacol 2-methoxyphenol Guaiacol guaiacol chebi_ontology 1-Hydroxy-2-methoxybenzene 2-Hydroxyanisole Catechol monomethyl ether o-Methoxyphenol CHEBI:28591 guaiacol CAS:90-05-1 ChemIDplus CAS:90-05-1 KEGG COMPOUND Drug_Central:1334 DrugCentral PMID:22103597 Europe PMC PMID:23587706 Europe PMC PMID:24295708 Europe PMC Reaxys:508112 Reaxys 2-methoxyphenol IUPAC Guaiacol KEGG_COMPOUND guaiacol UniProt 1-Hydroxy-2-methoxybenzene ChemIDplus 2-Hydroxyanisole ChemIDplus Catechol monomethyl ether KEGG_COMPOUND o-Methoxyphenol KEGG_COMPOUND A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. 0 C15H26O InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3 CRDAMVZIKSXKFV-UHFFFAOYSA-N 222.36634 222.19837 [H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C CHEBI:24013 CHEBI:24014 CHEBI:4978 Beilstein:1763926 CAS:4602-84-0 DrugBank:DB02509 HMDB:HMDB0004305 KEGG:C01493 KNApSAcK:C00003132 LINCS:LSM-5398 PMID:17640272 PMID:19402910 PMID:23902158 PMID:24987733 Reaxys:1763926 3,7,11-trimethyldodeca-2,6,10-trien-1-ol Farnesol chebi_ontology 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol 3,7,11-trimethyl-2,6,10-dodecatrienol farnesyl alcohol CHEBI:28600 farnesol Beilstein:1763926 Beilstein CAS:4602-84-0 ChemIDplus CAS:4602-84-0 KEGG COMPOUND CAS:4602-84-0 NIST Chemistry WebBook PMID:17640272 Europe PMC PMID:19402910 Europe PMC PMID:23902158 Europe PMC PMID:24987733 Europe PMC Reaxys:1763926 Reaxys 3,7,11-trimethyldodeca-2,6,10-trien-1-ol IUPAC Farnesol KEGG_COMPOUND 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol ChemIDplus 3,7,11-trimethyl-2,6,10-dodecatrienol NIST_Chemistry_WebBook farnesyl alcohol NIST_Chemistry_WebBook A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. 0 CH3NO2 InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) KXDHJXZQYSOELW-UHFFFAOYSA-N 61.04006 61.01638 NC(O)=O CHEBI:22504 CHEBI:23002 CHEBI:3386 CHEBI:44573 Beilstein:1734754 CAS:463-77-4 DrugBank:DB04261 Gmelin:130345 KEGG:C01563 PDBeChem:OUT Wikipedia:Carbamic_acid CARBAMIC ACID Carbamic acid carbamic acid chebi_ontology Aminoameisensaeure Aminoformic acid Carbamate Carbamidsaeure CHEBI:28616 carbamic acid Beilstein:1734754 Beilstein CAS:463-77-4 ChemIDplus CAS:463-77-4 KEGG COMPOUND Gmelin:130345 Gmelin CARBAMIC ACID PDBeChem Carbamic acid KEGG_COMPOUND carbamic acid IUPAC Aminoameisensaeure ChEBI Aminoformic acid KEGG_COMPOUND Carbamate KEGG_COMPOUND Carbamidsaeure ChEBI A dichlorobenzene carrying chloro groups at positions 1 and 4. 0 C6H4Cl2 InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H OCJBOOLMMGQPQU-UHFFFAOYSA-N 147.00136 145.96901 Clc1ccc(Cl)cc1 CHEBI:18930 CHEBI:536 Beilstein:1680023 CAS:106-46-7 Gmelin:49722 HMDB:HMDB0041971 KEGG:C07092 PMID:10817668 PMID:17750169 PMID:23899931 Patent:WO2010122925 Reaxys:1680023 UM-BBD_compID:c0593 Wikipedia:1,4-Dichlorobenzene 1,4-Dichlorobenzene 1,4-dichlorobenzene chebi_ontology PARA PDCB Paradichlorbenzol p-Dichlorbenzol p-Dichlorobenzene p-chlorophenyl chloride paradichlorobenzene CHEBI:28618 1,4-dichlorobenzene Beilstein:1680023 Beilstein CAS:106-46-7 ChemIDplus CAS:106-46-7 KEGG COMPOUND CAS:106-46-7 NIST Chemistry WebBook Gmelin:49722 Gmelin PMID:10817668 Europe PMC PMID:17750169 Europe PMC PMID:23899931 Europe PMC Reaxys:1680023 Reaxys UM-BBD_compID:c0593 UM-BBD 1,4-Dichlorobenzene KEGG_COMPOUND 1,4-dichlorobenzene IUPAC PARA UM-BBD PDCB UM-BBD Paradichlorbenzol NIST_Chemistry_WebBook p-Dichlorbenzol ChemIDplus p-Dichlorobenzene KEGG_COMPOUND p-chlorophenyl chloride NIST_Chemistry_WebBook paradichlorobenzene ChemIDplus A member of the class of acrylamides that results from the formal condensation of acrylic acid with ammonia. 0 C3H5NO InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) HRPVXLWXLXDGHG-UHFFFAOYSA-N 71.07794 71.03711 NC(=O)C=C CHEBI:22215 CHEBI:2441 Beilstein:605349 CAS:79-06-1 Gmelin:81842 HMDB:HMDB0004296 KEGG:C01659 PMID:10719038 PMID:12166997 PMID:15240786 PMID:15901921 PMID:17032038 PMID:17234719 PMID:17484107 PMID:17558658 PMID:17720246 PMID:18469268 PMID:19022940 PMID:19846048 PMID:22136129 PMID:22784192 PMID:7767980 Patent:US2535245 Reaxys:605349 UM-BBD_compID:c0149 Wikipedia:Acrylamide Acrylamide acrylamide prop-2-enamide chebi_ontology 2-Propenamide Akrylamid ethylenecarboxamide CHEBI:28619 acrylamide Beilstein:605349 Beilstein CAS:79-06-1 ChemIDplus CAS:79-06-1 KEGG COMPOUND CAS:79-06-1 NIST Chemistry WebBook Gmelin:81842 Gmelin PMID:10719038 Europe PMC PMID:12166997 Europe PMC PMID:15240786 Europe PMC PMID:15901921 Europe PMC PMID:17032038 Europe PMC PMID:17234719 Europe PMC PMID:17484107 Europe PMC PMID:17558658 Europe PMC PMID:17720246 Europe PMC PMID:18469268 Europe PMC PMID:19022940 Europe PMC PMID:19846048 Europe PMC PMID:22136129 Europe PMC PMID:22784192 Europe PMC PMID:7767980 Europe PMC Reaxys:605349 Reaxys UM-BBD_compID:c0149 UM-BBD Acrylamide KEGG_COMPOUND acrylamide UniProt prop-2-enamide IUPAC 2-Propenamide KEGG_COMPOUND Akrylamid NIST_Chemistry_WebBook ethylenecarboxamide NIST_Chemistry_WebBook A teichoic acid which is covalently bound to a lipid. CHEBI:25063 CHEBI:6496 PMID:6083437 PMID:9188087 chebi_ontology CHEBI:28640 lipoteichoic acid PMID:6083437 Europe PMC PMID:9188087 Europe PMC 0 P InChI=1S/P OAICVXFJPJFONN-UHFFFAOYSA-N 30.97376 30.97376 [P] CHEBI:26080 CHEBI:8168 CAS:7723-14-0 Gmelin:16235 KEGG:C06262 WebElements:P phosphorus chebi_ontology 15P P Phosphor Phosphorus fosforo phosphore phosphorus CHEBI:28659 phosphorus atom CAS:7723-14-0 ChemIDplus CAS:7723-14-0 KEGG COMPOUND Gmelin:16235 Gmelin phosphorus IUPAC 15P IUPAC P IUPAC P KEGG_COMPOUND Phosphor ChEBI Phosphorus KEGG_COMPOUND fosforo ChEBI phosphore ChEBI phosphorus ChEBI A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties. 0 C9H13N3O5 InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 UHDGCWIWMRVCDJ-CCXZUQQUSA-N 243.21674 243.08552 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 CHEBI:23532 CHEBI:4074 CHEBI:40824 Beilstein:89175 CAS:147-94-4 DrugBank:DB00987 Drug_Central:770 HMDB:HMDB0015122 KEGG:C02961 KEGG:D00168 LINCS:LSM-5470 PDBeChem:AR3 PMID:15492802 Reaxys:89175 Wikipedia:Cytarabine 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one Cytarabine chebi_ontology 1-beta-D-Arabinofuranosylcytosine 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone Arabinoside C Cytosine arabinoside Cytosine-1-beta-D-arabinofuranoside ara-C arabinocytosine citarabina cytarabine cytarabinum cytosine-beta-D-arabinofuranoside CHEBI:28680 cytarabine Beilstein:89175 Beilstein CAS:147-94-4 ChemIDplus CAS:147-94-4 KEGG COMPOUND Drug_Central:770 DrugCentral PMID:15492802 Europe PMC Reaxys:89175 Reaxys 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one IUPAC Cytarabine KEGG_COMPOUND 1-beta-D-Arabinofuranosylcytosine ChemIDplus 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone ChemIDplus Arabinoside C DrugCentral Cytosine arabinoside KEGG_COMPOUND Cytosine-1-beta-D-arabinofuranoside KEGG_COMPOUND ara-C ChEBI arabinocytosine DrugCentral citarabina ChemIDplus cytarabine ChemIDplus cytarabine WHO_MedNet cytarabinum ChemIDplus cytosine-beta-D-arabinofuranoside ChEBI 0 Mo InChI=1S/Mo ZOKXTWBITQBERF-UHFFFAOYSA-N 95.94000 97.90541 [Mo] CHEBI:25369 CHEBI:49750 CHEBI:6968 CAS:7439-98-7 Gmelin:16205 KEGG:C00150 WebElements:Mo molybdenum chebi_ontology 42Mo Mo Molybdaen Molybdenum molibdeno molybdene molybdenum CHEBI:28685 molybdenum atom CAS:7439-98-7 ChemIDplus CAS:7439-98-7 KEGG COMPOUND CAS:7439-98-7 NIST Chemistry WebBook Gmelin:16205 Gmelin molybdenum IUPAC 42Mo IUPAC Mo IUPAC Mo UniProt Molybdaen ChEBI Molybdenum KEGG_COMPOUND molibdeno ChEBI molybdene ChEBI molybdenum ChEBI An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. 0 C19H28O2 InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 FMGSKLZLMKYGDP-USOAJAOKSA-N 288.42440 288.20893 [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHEBI:11911 CHEBI:1723 CHEBI:20246 CHEBI:40738 CHEBI:86953 CAS:53-43-0 DrugBank:DB01708 Drug_Central:795 HMDB:HMDB0000077 KEGG:C01227 KEGG:D08409 LIPID_MAPS_instance:LMST02020021 MetaCyc:3-BETA-HYDROXYANDROST-5-EN-17-ONE PDBeChem:AND PMID:14662261 PMID:18634257 PMID:24256992 PMID:24424045 Reaxys:2058110 Wikipedia:Dehydroepiandrosterone 3beta-hydroxyandrost-5-en-17-one Dehydroepiandrosterone chebi_ontology 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE 3beta-Hydroxyandrost-5-en-17-one 3beta-hydroxyandrost-5-en-17-one DHA DHEA Dehydroisoandrosterone Intrarosa Prasterone CHEBI:28689 dehydroepiandrosterone CAS:53-43-0 ChemIDplus CAS:53-43-0 KEGG COMPOUND Drug_Central:795 DrugCentral LIPID_MAPS_instance:LMST02020021 LIPID MAPS PMID:14662261 Europe PMC PMID:18634257 Europe PMC PMID:24256992 Europe PMC PMID:24424045 Europe PMC Reaxys:2058110 Reaxys 3beta-hydroxyandrost-5-en-17-one IUPAC Dehydroepiandrosterone KEGG_COMPOUND 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE PDBeChem 3beta-Hydroxyandrost-5-en-17-one KEGG_COMPOUND 3beta-hydroxyandrost-5-en-17-one ChEBI 3beta-hydroxyandrost-5-en-17-one UniProt DHA KEGG_COMPOUND DHEA KEGG_COMPOUND Dehydroisoandrosterone KEGG_COMPOUND Intrarosa ChemIDplus Prasterone ChemIDplus 0 Cu InChI=1S/Cu RYGMFSIKBFXOCR-UHFFFAOYSA-N 63.54600 62.92960 [Cu] CHEBI:23376 CHEBI:3874 CAS:7440-50-8 Gmelin:16269 KEGG:C00070 WebElements:Cu copper chebi_ontology 29Cu Copper Cu Kupfer cobre copper cuivre cuprum CHEBI:28694 copper atom CAS:7440-50-8 ChemIDplus CAS:7440-50-8 KEGG COMPOUND Gmelin:16269 Gmelin copper IUPAC 29Cu IUPAC Copper KEGG_COMPOUND Cu ChEBI Cu IUPAC Kupfer ChEBI cobre ChEBI copper ChEBI cuivre ChEBI cuprum IUPAC A hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. 0 C16H30O2 InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- SECPZKHBENQXJG-FPLPWBNLSA-N 254.409 254.22458 C(CCCCCCC/C=C\CCCCCC)(=O)O CHEBI:25836 CHEBI:44696 CHEBI:7897 Beilstein:1725389 CAS:373-49-9 DrugBank:DB04257 HMDB:HMDB0003229 KEGG:C08362 KNApSAcK:C00001234 KNApSAcK:C00029354 LIPID_MAPS_instance:LMFA01030056 PDBeChem:PAM PMID:19761868 PMID:24362891 Reaxys:1725389 (9Z)-hexadec-9-enoic acid PALMITOLEIC ACID Palmitoleic acid chebi_ontology (9Z)-Hexadecenoic acid (Z)-9-hexadecenoic acid (Z)-hexadec-9-enoic acid 16:1Delta9 9-cis-hexadecenoic acid Oleopalmitic acid Zoomeric acid cis-9-Hexadecenoic acid cis-9-Palmitoleic acid cis-Delta(9)-hexadecenoic acid cis-Palmitoleic acid cis-delta-9-Hexadecenoic acid palmitolinoleic acid zoomaric acid CHEBI:28716 palmitoleic acid palmitoleic acid A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic). 0 C8H11N InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 UFFBMTHBGFGIHF-UHFFFAOYSA-N 121.17960 121.08915 Cc1cccc(C)c1N CHEBI:19404 CHEBI:956 Beilstein:636332 CAS:87-62-7 HMDB:HMDB0060677 KEGG:C11004 PMID:11765029 PMID:18490435 PMID:8374321 Reaxys:636332 Wikipedia:2,6-Xylidine 2,6-Dimethylaniline 2,6-dimethylaniline chebi_ontology 1-amino-2,6-dimethylbenzene 2,6-DMA 2,6-Xylidine 2,6-dimethylbenzenamine 2,6-dimethylphenylamine 2,6-xylidine 2,6-xylylamine 2-amino-1,3-dimethylbenzene 2-amino-1,3-xylene 2-amino-m-xylene o-xylidine vic-m-xylidine CHEBI:28738 2,6-dimethylaniline Beilstein:636332 Beilstein CAS:87-62-7 ChemIDplus CAS:87-62-7 KEGG COMPOUND CAS:87-62-7 NIST Chemistry WebBook PMID:11765029 Europe PMC PMID:18490435 Europe PMC PMID:8374321 Europe PMC Reaxys:636332 Reaxys 2,6-Dimethylaniline KEGG_COMPOUND 2,6-dimethylaniline IUPAC 1-amino-2,6-dimethylbenzene ChemIDplus 2,6-DMA KEGG_COMPOUND 2,6-Xylidine KEGG_COMPOUND 2,6-dimethylbenzenamine ChemIDplus 2,6-dimethylphenylamine ChemIDplus 2,6-xylidine ChemIDplus 2,6-xylylamine ChemIDplus 2-amino-1,3-dimethylbenzene ChemIDplus 2-amino-1,3-xylene ChemIDplus 2-amino-m-xylene ChemIDplus o-xylidine ChemIDplus vic-m-xylidine ChEBI A metal fluoride salt with a Na(+) counterion. 0 FNa Na.F InChI=1S/FH.Na/h1H;/q;+1/p-1 PUZPDOWCWNUUKD-UHFFFAOYSA-M 41.98817 41.98817 [F-].[Na+] CHEBI:26713 CHEBI:9178 CAS:7681-49-4 KEGG:C08142 KEGG:D00943 Wikipedia:Sodium_Fluoride Sodium fluoride sodium fluoride chebi_ontology NaF CHEBI:28741 sodium fluoride sodium fluoride CAS:7681-49-4 ChemIDplus CAS:7681-49-4 KEGG COMPOUND Sodium fluoride KEGG_COMPOUND sodium fluoride IUPAC NaF IUPAC A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. 0 C6H5NO2 InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N 123.10940 123.03203 OC(=O)c1ccccn1 CHEBI:26128 CHEBI:47159 CHEBI:8201 Beilstein:109595 CAS:98-98-6 Gmelin:3318 HMDB:HMDB0002243 KEGG:C10164 KNApSAcK:C00002063 MetaCyc:PICOLINATE PDBeChem:6PC PMID:15206716 PMID:15206793 PMID:15290459 PMID:16303883 PMID:23630570 PMID:24119749 PMID:7064867 PMID:7969932 Reaxys:109595 Wikipedia:Picolinic_acid Picolinic acid pyridine-2-carboxylic acid chebi_ontology 2-Picolinic acid 2-Pyridinecarboxylic acid 2-carboxypyridine PYRIDINE-2-CARBOXYLIC ACID alpha-picolinic acid alpha-pyridinecarboxylic acid o-pyridinecarboxylic acid CHEBI:28747 picolinic acid Beilstein:109595 Beilstein CAS:98-98-6 ChemIDplus CAS:98-98-6 KEGG COMPOUND CAS:98-98-6 NIST Chemistry WebBook Gmelin:3318 Gmelin PMID:15206716 Europe PMC PMID:15206793 Europe PMC PMID:15290459 Europe PMC PMID:16303883 Europe PMC PMID:23630570 Europe PMC PMID:24119749 Europe PMC PMID:7064867 Europe PMC PMID:7969932 Europe PMC Reaxys:109595 Reaxys Picolinic acid KEGG_COMPOUND pyridine-2-carboxylic acid IUPAC 2-Picolinic acid HMDB 2-Pyridinecarboxylic acid KEGG_COMPOUND 2-carboxypyridine NIST_Chemistry_WebBook PYRIDINE-2-CARBOXYLIC ACID PDBeChem alpha-picolinic acid ChEBI alpha-pyridinecarboxylic acid NIST_Chemistry_WebBook o-pyridinecarboxylic acid NIST_Chemistry_WebBook 0 C27H29NO11 InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 AOJJSUZBOXZQNB-TZSSRYMLSA-N 543.51930 543.17406 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO CHEBI:22270 CHEBI:2496 CHEBI:42031 CAS:23214-92-8 DrugBank:DB00997 Drug_Central:960 KEGG:C01661 KEGG:D03899 LINCS:LSM-4062 LIPID_MAPS_instance:LMPK13050001 PDBeChem:DM2 (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside DOXORUBICIN Doxorubicin chebi_ontology (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione 14-hydroxydaunomycin 14-hydroxydaunorubicine Adriamycin doxorubicin doxorubicine doxorubicinum CHEBI:28748 doxorubicin CAS:23214-92-8 ChemIDplus CAS:23214-92-8 KEGG COMPOUND Drug_Central:960 DrugCentral LIPID_MAPS_instance:LMPK13050001 LIPID MAPS (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside IUPAC DOXORUBICIN PDBeChem Doxorubicin KEGG_COMPOUND (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside ChEBI (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione ChemIDplus 14-hydroxydaunomycin ChemIDplus 14-hydroxydaunorubicine ChemIDplus Adriamycin KEGG_COMPOUND doxorubicin ChemIDplus doxorubicine ChemIDplus doxorubicinum ChemIDplus A trichlorophenol with phenolic substituents on positions 2, 4 and 6. 0 C6H3Cl3O InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H LINPIYWFGCPVIE-UHFFFAOYSA-N 197.44600 195.92495 Oc1c(Cl)cc(Cl)cc1Cl CHEBI:19334 CHEBI:898 Beilstein:776729 CAS:88-06-2 Gmelin:3766 KEGG:C07098 MetaCyc:TRICHLOROPHENOL PDBeChem:T6C PMID:21863115 PMID:22748215 PMID:23995979 PMID:24078273 Reaxys:776729 UM-BBD_compID:c0330 Wikipedia:2,4,6-Trichlorophenol 2,4,6-Trichlorophenol 2,4,6-trichlorophenol chebi_ontology 1,3,5-Trichloro-2-hydroxybenzene 2,4,6-TCP CHEBI:28755 2,4,6-trichlorophenol Beilstein:776729 Beilstein CAS:88-06-2 ChemIDplus CAS:88-06-2 KEGG COMPOUND CAS:88-06-2 NIST Chemistry WebBook Gmelin:3766 Gmelin PMID:21863115 Europe PMC PMID:22748215 Europe PMC PMID:23995979 Europe PMC PMID:24078273 Europe PMC Reaxys:776729 Reaxys UM-BBD_compID:c0330 UM-BBD 2,4,6-Trichlorophenol KEGG_COMPOUND 2,4,6-trichlorophenol IUPAC 1,3,5-Trichloro-2-hydroxybenzene NIST_Chemistry_WebBook 2,4,6-TCP UM-BBD A ketohexose that is an isomer of glucose. fructose http://langual.org CHEBI:24104 CHEBI:24110 CHEBI:5172 CAS:30237-26-4 DrugBank:DB04173 KEGG:C01496 Wikipedia:Fructose http://www.langual.org/langual_thesaurus.asp?termid=C0223 Fructose arabino-hex-2-ulose fructose chebi_ontology Fru Fruchtzucker Fruktose arabino-Hexulose levulose CHEBI:28757 LanguaL curation note: Used when pure fructose is the major ingredient. If *HIGH FRUCTOSE SYRUP* is the major ingredient, use that term for indexing. fructose fructose CAS:30237-26-4 ChemIDplus Fructose KEGG_COMPOUND arabino-hex-2-ulose IUPAC fructose IUPAC Fru JCBN Fruchtzucker ChEBI Fruktose ChEBI arabino-Hexulose KEGG_COMPOUND A chlorophenylmethane that is methane in which two of the hydrogens have been replaced by p-chlorophenyl groups. 0 C13H10Cl2 InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2 LQGSWLJZAKVBJH-UHFFFAOYSA-N 237.12390 236.01596 Clc1ccc(Cc2ccc(Cl)cc2)cc1 CHEBI:22892 CHEBI:3119 Beilstein:1873121 CAS:101-76-8 Gmelin:1851655 KEGG:C06641 UM-BBD_compID:c0503 1,1'-methylenebis(4-chlorobenzene) 4,4'-dichlorodiphenylmethane chebi_ontology 1-chloro-4-(4-chlorobenzyl)benzene Bis(4'-chlorophenyl)methane DDM bis(4-chlorophenyl)methane bis(p-chlorophenyl)methane bis-(4-chlorophenyl)-methane di(4-chlorophenyl)methane di(p-chlorophenyl)methane p,p'-dichlorodiphenylmethane CHEBI:28763 4,4'-dichlorodiphenylmethane Beilstein:1873121 ChemIDplus CAS:101-76-8 ChemIDplus CAS:101-76-8 KEGG COMPOUND CAS:101-76-8 NIST Chemistry WebBook Gmelin:1851655 Gmelin UM-BBD_compID:c0503 UM-BBD 1,1'-methylenebis(4-chlorobenzene) IUPAC 4,4'-dichlorodiphenylmethane ChemIDplus 1-chloro-4-(4-chlorobenzyl)benzene NIST_Chemistry_WebBook Bis(4'-chlorophenyl)methane KEGG_COMPOUND DDM KEGG_COMPOUND bis(4-chlorophenyl)methane ChemIDplus bis(p-chlorophenyl)methane NIST_Chemistry_WebBook bis-(4-chlorophenyl)-methane NIST_Chemistry_WebBook di(4-chlorophenyl)methane NIST_Chemistry_WebBook di(p-chlorophenyl)methane NIST_Chemistry_WebBook p,p'-dichlorodiphenylmethane NIST_Chemistry_WebBook A dipeptide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of methyl L-phenylalaninate. Commonly used as an artificial sweetener. aspartame http://langual.org Codex::951 Europe::951 http://www.langual.org/langual_thesaurus.asp?termid=B3008 LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, sweetener. aspartame 0 C12H14N2.2Cl InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2 FIKAKWIAUPDISJ-UHFFFAOYSA-L 257.15900 256.05340 [Cl-].[Cl-].C[n+]1ccc(cc1)-c1cc[n+](C)cc1 CHEBI:25856 CHEBI:6861 CAS:1910-42-5 KEGG:C00225 PPDB:1524 Wikipedia:Paraquat 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium dichloride Paraquat dichloride chebi_ontology 1,1'-Dimethyl-4,4'-bipyridinium dichloride 1,1'-Dimethyl-4,4'-dipyridylium dichloride 4,4'-Dimethyldipyridyl dichloride Methyl viologen Methyl viologen dichloride N,N'-Dimethyl-4,4'-bipyridinium dichloride N,N'-Dimethyl-4,4'-bipyridylium dichloride CHEBI:28786 paraquat dichloride CAS:1910-42-5 ChemIDplus CAS:1910-42-5 KEGG COMPOUND 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium dichloride IUPAC Paraquat dichloride KEGG_COMPOUND 1,1'-Dimethyl-4,4'-bipyridinium dichloride KEGG_COMPOUND 1,1'-Dimethyl-4,4'-dipyridylium dichloride ChemIDplus 4,4'-Dimethyldipyridyl dichloride ChemIDplus Methyl viologen KEGG_COMPOUND Methyl viologen dichloride ChemIDplus N,N'-Dimethyl-4,4'-bipyridinium dichloride ChemIDplus N,N'-Dimethyl-4,4'-bipyridylium dichloride ChEBI A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain. 0 C3H5N3O9 InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 SNIOPGDIGTZGOP-UHFFFAOYSA-N 227.08650 227.00258 [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O CHEBI:25559 CHEBI:7595 Beilstein:1802063 CAS:55-63-0 DrugBank:DB00727 Drug_Central:1952 Gmelin:165859 KEGG:C07455 KEGG:D00515 PMID:11016328 PMID:11470751 PMID:11943517 PMID:22040938 PMID:22675243 PMID:23205544 PMID:23301717 PMID:9492718 Reaxys:1802063 UM-BBD_compID:c0061 Wikipedia:Glyceryl_trinitrate_(pharmacology) Wikipedia:Nitroglycerin 1,2,3-trinitrooxypropane Nitroglycerin chebi_ontology 1,2,3-propanetrioltrinitrate 1,2,3-propanetriyl nitrate Glyceryl trinitrate Minitran NG Natispray Nitro-Dur Nitrolingual Nitromist Nitrostat Rectogesic Transderm Nitro glycerin trinitrate glycerol trinitrate glycerol, nitric acid triester nitroglycerine nitroglycerol propane-1,2,3-triyl trinitrate trinitroglycerin trinitroglycerol CHEBI:28787 nitroglycerin Beilstein:1802063 Beilstein CAS:55-63-0 ChemIDplus CAS:55-63-0 KEGG COMPOUND CAS:55-63-0 NIST Chemistry WebBook Drug_Central:1952 DrugCentral Gmelin:165859 Gmelin PMID:11016328 Europe PMC PMID:11470751 Europe PMC PMID:11943517 Europe PMC PMID:22040938 Europe PMC PMID:22675243 Europe PMC PMID:23205544 Europe PMC PMID:23301717 Europe PMC PMID:9492718 Europe PMC Reaxys:1802063 Reaxys UM-BBD_compID:c0061 UM-BBD 1,2,3-trinitrooxypropane IUPAC Nitroglycerin KEGG_COMPOUND 1,2,3-propanetrioltrinitrate UM-BBD 1,2,3-propanetriyl nitrate NIST_Chemistry_WebBook Glyceryl trinitrate KEGG_COMPOUND Minitran DrugBank NG NIST_Chemistry_WebBook Natispray DrugBank Nitro-Dur DrugBank Nitrolingual DrugBank Nitromist ChEBI Nitrostat DrugBank Rectogesic DrugBank Transderm Nitro DrugBank glycerin trinitrate NIST_Chemistry_WebBook glycerol trinitrate NIST_Chemistry_WebBook glycerol, nitric acid triester NIST_Chemistry_WebBook nitroglycerine NIST_Chemistry_WebBook nitroglycerol NIST_Chemistry_WebBook propane-1,2,3-triyl trinitrate IUPAC trinitroglycerin UM-BBD trinitroglycerol NIST_Chemistry_WebBook A primary amino compound that is the 5-hydroxy derivative of tryptamine. 0 C10H12N2O InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N 176.215 176.09496 C1=CC(=CC=2C(=CNC12)CCN)O CHEBI:1420 CHEBI:26652 CHEBI:49894 Beilstein:143524 CAS:50-67-9 Gmelin:1861995 HMDB:HMDB0000259 KEGG:C00780 KNApSAcK:C00001429 LINCS:LSM-6589 MetaCyc:SEROTONIN PDBeChem:SRO PMID:18593914 PMID:22770225 PMID:24136337 Reaxys:143524 Wikipedia:Serotonin 3-(2-aminoethyl)-1H-indol-5-ol SEROTONIN Serotonin chebi_ontology 3-(2-Aminoethyl)-1H-indol-5-ol 5-HT 5-Hydroxytryptamine Enteramine serotonine thrombocytin thrombotonin CHEBI:28790 serotonin serotonin Beilstein:143524 Beilstein CAS:50-67-9 ChemIDplus CAS:50-67-9 KEGG COMPOUND Gmelin:1861995 Gmelin PMID:18593914 Europe PMC PMID:22770225 Europe PMC PMID:24136337 Europe PMC Reaxys:143524 Reaxys 3-(2-aminoethyl)-1H-indol-5-ol IUPAC SEROTONIN PDBeChem Serotonin KEGG_COMPOUND 3-(2-Aminoethyl)-1H-indol-5-ol KEGG_COMPOUND 5-HT IUPHAR 5-Hydroxytryptamine KEGG_COMPOUND Enteramine KEGG_COMPOUND serotonine ChEBI thrombocytin ChemIDplus thrombotonin ChemIDplus beta-D-glucan A toluate that is the conjugate base of m-toluic acid. -1 C8H7O2 InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1 GPSDUZXPYCFOSQ-UHFFFAOYSA-M 135.14050 135.04515 Cc1cccc(c1)C([O-])=O CHEBI:20204 CHEBI:20205 Beilstein:3904551 KEGG:C07211 MetaCyc:CPD-8775 UM-BBD_compID:c0243 3-methylbenzoate chebi_ontology 3-toluate beta-bethylbenzoate m-Methylbenzoate CHEBI:28795 m-toluate Beilstein:3904551 Beilstein UM-BBD_compID:c0243 UM-BBD 3-methylbenzoate IUPAC 3-toluate ChEBI beta-bethylbenzoate ChEBI m-Methylbenzoate KEGG_COMPOUND m-Methylbenzoate UM-BBD Polysaccharides composed of fructose residues. (C6H10O5)n CHEBI:24101 CHEBI:6434 CAS:9013-95-0 KEGG:C01355 KEGG:C06215 KEGG:G10499 KEGG:G10535 Fructan fructan chebi_ontology (2,6-beta-D-Fructosyl)n (2,6-beta-D-Fructosyl)n+1 2,6-beta-D-Fructan Levan Levan n beta-D-Fructan fructans polyfructose CHEBI:28796 fructan fructan rubber particle Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group. 0 C15HO3R9 229.16660 228.99257 Oc1c(oc2c([*])c([*])c([*])c([*])c2c1=O)-c1c([*])c([*])c([*])c([*])c1[*] CHEBI:13639 CHEBI:24052 CHEBI:71969 MetaCyc:Flavonols Wikipedia:Flavonol chebi_ontology 3-hydroxyflavones a flavonol CHEBI:28802 flavonols flavonols 0 C2H2Cl2 InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1- KFUSEUYYWQURPO-UPHRSURJSA-N 96.94268 95.95336 Cl\C=C/Cl CHEBI:10455 CHEBI:18623 Beilstein:1071208 CAS:156-59-2 Gmelin:122694 KEGG:C06792 UM-BBD_compID:c0357 (Z)-1,2-dichloroethene cis-1,2-Dichloroethene chebi_ontology (Z)-1,2-dichloroethene (Z)-1,2-dichloroethylene cis-1,2-dichloroethylene cis-Acetylene dichloride cis-dichloroethylene CHEBI:28805 cis-1,2-dichloroethene Beilstein:1071208 Beilstein CAS:156-59-2 ChemIDplus CAS:156-59-2 KEGG COMPOUND CAS:156-59-2 NIST Chemistry WebBook Gmelin:122694 Gmelin UM-BBD_compID:c0357 UM-BBD (Z)-1,2-dichloroethene IUPAC cis-1,2-Dichloroethene KEGG_COMPOUND (Z)-1,2-dichloroethene UniProt (Z)-1,2-dichloroethylene NIST_Chemistry_WebBook cis-1,2-dichloroethylene ChemIDplus cis-Acetylene dichloride KEGG_COMPOUND cis-dichloroethylene NIST_Chemistry_WebBook A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). 0 C12H26 InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 SNRUBQQJIBEYMU-UHFFFAOYSA-N 170.33484 170.20345 CCCCCCCCCCCC CHEBI:25464 CHEBI:41713 CHEBI:4675 Beilstein:1697175 CAS:112-40-3 DrugBank:DB02771 Gmelin:201408 HMDB:HMDB0031444 KEGG:C08374 KNApSAcK:C00001248 LIPID_MAPS_instance:LMFA11000004 MetaCyc:CPD-9290 PDBeChem:D12 PMID:24493301 Reaxys:1697175 Wikipedia:Dodecane DODECANE Dodecane dodecane chebi_ontology Bihexyl CH3-[CH2]10-CH3 Dihexyl Dodekan n-Dodecane CHEBI:28817 dodecane Beilstein:1697175 ChemIDplus CAS:112-40-3 ChemIDplus CAS:112-40-3 KEGG COMPOUND CAS:112-40-3 NIST Chemistry WebBook Gmelin:201408 Gmelin LIPID_MAPS_instance:LMFA11000004 LIPID MAPS PMID:24493301 Europe PMC Reaxys:1697175 Reaxys DODECANE PDBeChem Dodecane KEGG_COMPOUND dodecane IUPAC Bihexyl HMDB CH3-[CH2]10-CH3 IUPAC Dihexyl HMDB Dodekan ChEBI n-Dodecane KEGG_COMPOUND A substituted aniline carrying a hydroxy substituent. 0 C6H7NO 109.126 109.05276 CHEBI:22521 CHEBI:2658 CAS:27598-85-2 aminophenol chebi_ontology aminobenzenol hydroxyaniline CHEBI:28829 aminophenol CAS:27598-85-2 ChemIDplus aminophenol IUPAC aminobenzenol ChEBI hydroxyaniline ChEBI The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. 0 C3H8O InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 BDERNNFJNOPAEC-UHFFFAOYSA-N 60.09500 60.05751 CCCO CHEBI:26278 CHEBI:44960 CHEBI:8472 Beilstein:1098242 CAS:71-23-8 DrugBank:DB03175 Drug_Central:4332 Gmelin:25616 HMDB:HMDB0000820 KEGG:C05979 PDBeChem:POL PMID:21741120 PMID:22565543 Reaxys:1098242 Wikipedia:Propan-1-ol Propan-1-ol propan-1-ol chebi_ontology 1-Hydroxypropane 1-Propanol 1-propanol Ethylcarbinol N-PROPANOL Optal Osmosol extra Propane-1-ol Propanol Propyl alcohol UN 1274 ethyl carbinol n-Propanol n-Propyl alcohol n-Propylalkohol n-propan-1-ol propanol-1 CHEBI:28831 propan-1-ol Beilstein:1098242 ChemIDplus CAS:71-23-8 ChemIDplus CAS:71-23-8 KEGG COMPOUND CAS:71-23-8 NIST Chemistry WebBook Drug_Central:4332 DrugCentral Gmelin:25616 Gmelin PMID:21741120 Europe PMC PMID:22565543 Europe PMC Reaxys:1098242 Reaxys Propan-1-ol KEGG_COMPOUND propan-1-ol IUPAC 1-Hydroxypropane KEGG_COMPOUND 1-Propanol KEGG_COMPOUND 1-propanol UniProt Ethylcarbinol KEGG_COMPOUND N-PROPANOL PDBeChem Optal KEGG_COMPOUND Osmosol extra KEGG_COMPOUND Propane-1-ol KEGG_COMPOUND Propanol KEGG_COMPOUND Propyl alcohol KEGG_COMPOUND UN 1274 KEGG_COMPOUND ethyl carbinol ChemIDplus n-Propanol KEGG_COMPOUND n-Propyl alcohol KEGG_COMPOUND n-Propylalkohol ChEBI n-propan-1-ol ChemIDplus propanol-1 ChemIDplus A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. 0 C8H16O2 InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N 144.21140 144.11503 CCCCCCCC(O)=O CHEBI:25648 CHEBI:3373 CHEBI:44501 Beilstein:1747180 CAS:124-07-2 DrugBank:DB04519 Drug_Central:3998 Gmelin:142966 HMDB:HMDB0000482 KEGG:C06423 KEGG:D05220 KNApSAcK:C00001231 LIPID_MAPS_instance:LMFA01010008 MetaCyc:CPD-195 PDBeChem:OCA PMID:16162522 PMID:16872526 PMID:19096058 Reaxys:1747180 Wikipedia:Caprylic_acid Octanoic acid octanoic acid chebi_ontology 1-heptanecarboxylic acid 8:0 Acide octanoique Acido octanoico Acidum octanocium C8:0 CH3-[CH2]6-COOH Caprylic acid Kaprylsaeure OCTANOIC ACID (CAPRYLIC ACID) Octansaeure Octylic acid acide octanoique acido octanoico acidum octanoicum n-caprylic acid n-octanoic acid n-octoic acid n-octylic acid octanoic acid octoic acid CHEBI:28837 octanoic acid Beilstein:1747180 Beilstein CAS:124-07-2 ChemIDplus CAS:124-07-2 KEGG COMPOUND CAS:124-07-2 NIST Chemistry WebBook Drug_Central:3998 DrugCentral Gmelin:142966 Gmelin LIPID_MAPS_instance:LMFA01010008 LIPID MAPS PMID:16162522 Europe PMC PMID:16872526 Europe PMC PMID:19096058 Europe PMC Reaxys:1747180 Reaxys Octanoic acid KEGG_COMPOUND octanoic acid IUPAC 1-heptanecarboxylic acid ChemIDplus 8:0 ChEBI Acide octanoique ChemIDplus Acido octanoico ChemIDplus Acidum octanocium ChemIDplus C8:0 ChEBI CH3-[CH2]6-COOH IUPAC Caprylic acid KEGG_COMPOUND Kaprylsaeure ChEBI OCTANOIC ACID (CAPRYLIC ACID) PDBeChem Octansaeure ChEBI Octylic acid KEGG_COMPOUND acide octanoique WHO_MedNet acido octanoico WHO_MedNet acidum octanoicum WHO_MedNet n-caprylic acid ChemIDplus n-octanoic acid NIST_Chemistry_WebBook n-octoic acid ChemIDplus n-octylic acid ChemIDplus octanoic acid WHO_MedNet octoic acid NIST_Chemistry_WebBook A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' 0 C14H10 InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H YNPNZTXNASCQKK-UHFFFAOYSA-N 178.22920 178.07825 c1ccc2c(c1)ccc1ccccc21 CHEBI:25951 CHEBI:44893 CHEBI:8051 Beilstein:1905428 CAS:85-01-8 DrugBank:DB08381 Gmelin:28699 KEGG:C11422 MetaCyc:CPD-13485 PDBeChem:PEY PMID:11472527 PMID:24216621 PMID:24722053 Reaxys:1905428 UM-BBD_compID:c0431 Wikipedia:Phenanthrene PHENANTHRENE Phenanthrene phenanthrene chebi_ontology Phenanthracene Phenanthren CHEBI:28851 phenanthrene Beilstein:1905428 Beilstein CAS:85-01-8 ChemIDplus CAS:85-01-8 KEGG COMPOUND CAS:85-01-8 NIST Chemistry WebBook Gmelin:28699 Gmelin PMID:11472527 Europe PMC PMID:24216621 Europe PMC PMID:24722053 Europe PMC Reaxys:1905428 Reaxys UM-BBD_compID:c0431 UM-BBD PHENANTHRENE PDBeChem Phenanthrene KEGG_COMPOUND phenanthrene IUPAC Phenanthracene KEGG_COMPOUND Phenanthren ChemIDplus A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. 0 C8H6Cl2O3 InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) OVSKIKFHRZPJSS-UHFFFAOYSA-N 221.03684 219.96940 OC(=O)COc1ccc(Cl)cc1Cl CHEBI:48791 CHEBI:73176 CHEBI:910 Beilstein:1214242 CAS:94-75-7 Gmelin:51306 HMDB:HMDB0041797 KEGG:C03664 LINCS:LSM-19988 MetaCyc:CPD-9009 PDBeChem:CFA PMID:10794133 PMID:11165716 PMID:11423340 PMID:11566291 PMID:12231832 PMID:15198722 PMID:16785163 PMID:17568655 PMID:18969687 PMID:6362003 PPDB:4 Pesticides:2,4-d Reaxys:1214242 Wikipedia:2,4-Dichlorophenoxyacetic_acid (2,4-dichlorophenoxy)acetic acid 2,4-D chebi_ontology (2,4-Dichlorphenoxy)essigsaeure 2,4-D acid 2,4-Dichlorophenoxyacetate 2,4-Dichlorophenoxyacetic acid 2,4-Dichlorphenoxyessigsaeure Hedonal Trinoxol acide 2,4-dichloro phenoxyacetique CHEBI:28854 2,4-D Beilstein:1214242 Beilstein CAS:94-75-7 ChemIDplus CAS:94-75-7 KEGG COMPOUND CAS:94-75-7 NIST Chemistry WebBook Gmelin:51306 Gmelin PMID:10794133 Europe PMC PMID:11165716 Europe PMC PMID:11423340 Europe PMC PMID:11566291 Europe PMC PMID:12231832 Europe PMC PMID:15198722 Europe PMC PMID:16785163 Europe PMC PMID:17568655 Europe PMC PMID:18969687 Europe PMC PMID:6362003 Europe PMC Pesticides:2,4-d Alan Wood's Pesticides Reaxys:1214242 Reaxys (2,4-dichlorophenoxy)acetic acid IUPAC 2,4-D KEGG_COMPOUND (2,4-Dichlorphenoxy)essigsaeure ChEBI 2,4-D acid ChemIDplus 2,4-Dichlorophenoxyacetate KEGG_COMPOUND 2,4-Dichlorophenoxyacetic acid KEGG_COMPOUND 2,4-Dichlorphenoxyessigsaeure ChEBI Hedonal NIST_Chemistry_WebBook Trinoxol NIST_Chemistry_WebBook acide 2,4-dichloro phenoxyacetique ChemIDplus A C24 straight-chain saturated fatty acid. 0 C24H48O2 InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) QZZGJDVWLFXDLK-UHFFFAOYSA-N 368.63670 368.36543 CCCCCCCCCCCCCCCCCCCCCCCC(O)=O CHEBI:25467 CHEBI:26892 CHEBI:6458 Beilstein:1728237 CAS:557-59-5 Gmelin:107095 HMDB:HMDB0002003 KEGG:C08320 KNApSAcK:C00001223 LIPID_MAPS_instance:LMFA01010024 MetaCyc:TETRACOSANOATE PMID:21781003 PMID:23019902 PMID:23157011 PMID:23394615 PMID:23871298 PMID:24491713 PMID:3174658 Reaxys:1728237 Wikipedia:Lignoceric_acid Tetracosanoic acid tetracosanoic acid chebi_ontology CH3-[CH2]22-COOH Lignoceric acid Lignozerinsaeure Tetracosansaeure n-tetracosanoic acid tetracosanic acid tetracosoic acid tetraeicosanoic acid tetraicosanoic acid CHEBI:28866 tetracosanoic acid Beilstein:1728237 Beilstein CAS:557-59-5 ChemIDplus CAS:557-59-5 KEGG COMPOUND CAS:557-59-5 NIST Chemistry WebBook Gmelin:107095 Gmelin LIPID_MAPS_instance:LMFA01010024 LIPID MAPS PMID:21781003 Europe PMC PMID:23019902 Europe PMC PMID:23157011 Europe PMC PMID:23394615 Europe PMC PMID:23871298 Europe PMC PMID:24491713 Europe PMC PMID:3174658 Europe PMC Reaxys:1728237 Reaxys Tetracosanoic acid KEGG_COMPOUND tetracosanoic acid IUPAC CH3-[CH2]22-COOH IUPAC Lignoceric acid KEGG_COMPOUND Lignozerinsaeure ChEBI Tetracosansaeure ChEBI n-tetracosanoic acid ChEBI tetracosanic acid ChEBI tetracosoic acid ChEBI tetraeicosanoic acid ChEBI tetraicosanoic acid ChEBI The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid. -1 CO2R 44.00950 43.98983 [O-]C([*])=O CHEBI:13634 CHEBI:24022 CHEBI:4985 KEGG:C02403 PMID:18628202 Fatty acid anion chebi_ontology Alkanate Fettsaeureanion Fettsaeureanionen a fatty acid acido graso anionico acidos grasos anionicos anion de l'acide gras fatty acid anions CHEBI:28868 fatty acid anion PMID:18628202 Europe PMC Fatty acid anion KEGG_COMPOUND Alkanate KEGG_COMPOUND Fettsaeureanion ChEBI Fettsaeureanionen ChEBI a fatty acid UniProt acido graso anionico ChEBI acidos grasos anionicos ChEBI anion de l'acide gras ChEBI fatty acid anions ChEBI A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. 0 C11H8O2 InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 MJVAVZPDRWSRRC-UHFFFAOYSA-N 172.183 172.05243 CC1=CC(=O)C2=C(C=CC=C2)C1=O CHEBI:27304 CHEBI:46306 CHEBI:6747 CAS:58-27-5 Chemspider:3915 DrugBank:DB00170 Drug_Central:1683 FooDB:FDB000953 HMDB:HMDB0001892 KEGG:C05377 KEGG:D02335 LINCS:LSM-3755 MetaCyc:CPD-3766 PDBeChem:VK3 PMID:10433694 PMID:11372776 PMID:12665684 PMID:12895502 PMID:13779073 PMID:15052609 PMID:15265851 PMID:15613473 PMID:15722567 PMID:16109308 PMID:16140270 PMID:16469140 PMID:1650428 PMID:1697141 PMID:1857739 PMID:18698499 PMID:19593550 PMID:19766112 PMID:2064595 PMID:2333843 PMID:28166217 PMID:30119016 PMID:30609653 PMID:3083821 PMID:31238027 PMID:31520616 PMID:31701430 PMID:32630491 PMID:32798378 PMID:33227312 PMID:33800926 PMID:33901557 PMID:33945810 PMID:34040527 PMID:8785182 PMID:9010592 PMID:9380028 Reaxys:1908453 Wikipedia:Menadione 2-methylnaphthalene-1,4-dione MENADIONE Menadione menadione chebi_ontology 2-Methyl-1,4-naphthochinon 2-methyl-1,4-naphthalenedione 2-methyl-1,4-naphthoquinone 2-methylnaphthoquinone 3-methyl-1,4-naphthoquinone Aquakay Aquinone Hemodal Kappaxin menadion menaphthon menaphthone menaquinone menaquinone 0 vitamin K3 CHEBI:28869 menadione menadione CAS:58-27-5 ChemIDplus CAS:58-27-5 KEGG COMPOUND CAS:58-27-5 NIST Chemistry WebBook Drug_Central:1683 DrugCentral PMID:10433694 Europe PMC PMID:11372776 Europe PMC PMID:12665684 Europe PMC PMID:12895502 Europe PMC PMID:13779073 Europe PMC PMID:15052609 Europe PMC PMID:15265851 Europe PMC PMID:15613473 Europe PMC PMID:15722567 Europe PMC PMID:16109308 Europe PMC PMID:16140270 Europe PMC PMID:16469140 Europe PMC PMID:1650428 Europe PMC PMID:1697141 Europe PMC PMID:1857739 Europe PMC PMID:18698499 Europe PMC PMID:19593550 Europe PMC PMID:19766112 Europe PMC PMID:2064595 Europe PMC PMID:2333843 Europe PMC PMID:28166217 Europe PMC PMID:30119016 Europe PMC PMID:30609653 Europe PMC PMID:3083821 Europe PMC PMID:31238027 Europe PMC PMID:31520616 Europe PMC PMID:31701430 Europe PMC PMID:32630491 Europe PMC PMID:32798378 Europe PMC PMID:33227312 Europe PMC PMID:33800926 Europe PMC PMID:33901557 Europe PMC PMID:33945810 Europe PMC PMID:34040527 Europe PMC PMID:8785182 Europe PMC PMID:9010592 Europe PMC PMID:9380028 Europe PMC Reaxys:1908453 Reaxys 2-methylnaphthalene-1,4-dione IUPAC MENADIONE PDBeChem Menadione KEGG_COMPOUND menadione UniProt 2-Methyl-1,4-naphthochinon ChemIDplus 2-methyl-1,4-naphthalenedione ChemIDplus 2-methyl-1,4-naphthoquinone KEGG_COMPOUND 2-methylnaphthoquinone ChemIDplus 3-methyl-1,4-naphthoquinone ChemIDplus Aquakay ChemIDplus Aquinone ChemIDplus Hemodal ChemIDplus Kappaxin KEGG_DRUG menadion ChemIDplus menaphthon ChemIDplus menaphthone ChemIDplus menaquinone ChemIDplus menaquinone 0 ChemIDplus vitamin K3 ChEBI vitamin K3 ChemIDplus A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. 0 C14H28O2 InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) TUNFSRHWOTWDNC-UHFFFAOYSA-N 228.37090 228.20893 CCCCCCCCCCCCCC(O)=O CHEBI:26897 CHEBI:278516 CHEBI:44232 CHEBI:7056 CHEBI:73168 Beilstein:508624 CAS:544-63-8 DrugBank:DB08231 Gmelin:242115 HMDB:HMDB0000806 KEGG:C06424 KNApSAcK:C00001228 LIPID_MAPS_instance:LMFA01010014 MetaCyc:CPD-7836 PDBeChem:MYR PMID:13129458 PMID:15149689 PMID:16509590 PMID:16554156 PMID:19154695 PMID:19761868 PMID:19786012 PMID:19902021 PMID:19955401 PMID:20634506 PMID:20920594 PMID:21955528 PMID:22030224 PMID:27206979 PMID:28600633 PMID:6802973 Reaxys:508624 Wikipedia:Myristic_acid Tetradecanoic acid myristic acid chebi_ontology 1-tetradecanecarboxylic acid 14 14:0 14:00 C14 CH3-[CH2]12-COOH MYRISTIC ACID Myristic acid Myristinsaeure acide tetradecanoique n-Tetradecan-1-oic acid n-Tetradecoic acid n-tetradecanoic acid tetradecoic acid CHEBI:28875 tetradecanoic acid Beilstein:508624 Beilstein CAS:544-63-8 ChemIDplus CAS:544-63-8 KEGG COMPOUND CAS:544-63-8 NIST Chemistry WebBook Gmelin:242115 Gmelin LIPID_MAPS_instance:LMFA01010014 LIPID MAPS PMID:13129458 Europe PMC PMID:15149689 ChEMBL PMID:16509590 ChEMBL PMID:16554156 ChEMBL PMID:19154695 Europe PMC PMID:19761868 Europe PMC PMID:19786012 Europe PMC PMID:19902021 Europe PMC PMID:19955401 Europe PMC PMID:20634506 Europe PMC PMID:20920594 Europe PMC PMID:21955528 Europe PMC PMID:22030224 Europe PMC PMID:27206979 Europe PMC PMID:28600633 Europe PMC PMID:6802973 ChEMBL Reaxys:508624 Reaxys Tetradecanoic acid KEGG_COMPOUND myristic acid IUPAC 1-tetradecanecarboxylic acid ChEBI 14 ChEBI 14:0 ChEBI 14:00 ChEBI C14 ChEBI CH3-[CH2]12-COOH IUPAC MYRISTIC ACID PDBeChem Myristic acid KEGG_COMPOUND Myristinsaeure ChEBI acide tetradecanoique ChEBI n-Tetradecan-1-oic acid ChemIDplus n-Tetradecoic acid ChemIDplus n-tetradecanoic acid NIST_Chemistry_WebBook tetradecoic acid ChEBI A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. 0 C8H9NO InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) FZERHIULMFGESH-UHFFFAOYSA-N 135.16320 135.06841 CC(=O)Nc1ccccc1 CHEBI:22164 CHEBI:7331 Beilstein:606468 CAS:103-84-4 Drug_Central:54 Gmelin:82833 KEGG:C07565 PMID:23862058 Reaxys:606468 UM-BBD_compID:c0657 Wikipedia:N-Phenylacetamide N-Phenylacetamide N-phenylacetamide chebi_ontology Acetanilid Acetanilide N-Acetylarylamine N-acetylaminobenzene acetamidobenzene acetanil acetic acid anilide CHEBI:28884 N-phenylacetamide Beilstein:606468 Beilstein CAS:103-84-4 ChemIDplus CAS:103-84-4 KEGG COMPOUND CAS:103-84-4 NIST Chemistry WebBook Drug_Central:54 DrugCentral Gmelin:82833 Gmelin PMID:23862058 Europe PMC Reaxys:606468 Reaxys UM-BBD_compID:c0657 UM-BBD N-Phenylacetamide KEGG_COMPOUND N-phenylacetamide IUPAC N-phenylacetamide UniProt Acetanilid ChemIDplus Acetanilide KEGG_COMPOUND N-Acetylarylamine KEGG_COMPOUND N-acetylaminobenzene NIST_Chemistry_WebBook acetamidobenzene ChemIDplus acetanil ChEBI acetic acid anilide ChemIDplus A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. 0 C4H10O InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 LRHPLDYGYMQRHN-UHFFFAOYSA-N 74.12160 74.07316 CCCCO CHEBI:22936 CHEBI:39632 CHEBI:612 Beilstein:969148 CAS:71-36-3 DrugBank:DB02145 Gmelin:25753 HMDB:HMDB0004327 KEGG:C06142 KEGG:D03200 MetaCyc:BUTANOL PDBeChem:1BO PMID:23980702 PMID:7096503 PPDB:1309 Reaxys:969148 Wikipedia:N-Butanol butan-1-ol chebi_ontology 1-BUTANOL 1-Butanol 1-butyl alcohol 1-hydroxybutane BuOH n-Butanol n-Butylalkohol n-butan-1-ol n-butyl alcohol propyl carbinol CHEBI:28885 butan-1-ol Beilstein:969148 Beilstein CAS:71-36-3 ChemIDplus CAS:71-36-3 NIST Chemistry WebBook Gmelin:25753 Gmelin PMID:23980702 Europe PMC PMID:7096503 Europe PMC Reaxys:969148 Reaxys butan-1-ol IUPAC butan-1-ol UniProt 1-BUTANOL PDBeChem 1-Butanol KEGG_COMPOUND 1-butyl alcohol NIST_Chemistry_WebBook 1-hydroxybutane NIST_Chemistry_WebBook BuOH IUPAC n-Butanol KEGG_COMPOUND n-Butylalkohol ChEBI n-butan-1-ol NIST_Chemistry_WebBook n-butyl alcohol ChemIDplus propyl carbinol ChemIDplus A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1. 0 C3H4O InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2 TVDSBUOJIPERQY-UHFFFAOYSA-N 56.06326 56.02621 OCC#C CHEBI:1272 CHEBI:26277 CAS:107-19-7 KEGG:C05986 PMID:18974778 PMID:20151225 PMID:23043843 Reaxys:506003 Wikipedia:Propargyl_alcohol Prop-2-yn-1-ol prop-2-yn-1-ol chebi_ontology 1-Hydroxy-2-propyne 1-Propyn-3-ol 1-Propyn-3-yl alcohol 2-Propyn-1-ol 2-Propynol 2-Propynyl alcohol 3-Hydroxy-1-propyne 3-Propynol Acetylene carbinol Acetylenylcarbinol Ethynylcarbinol Methanol, ethynyl- NA 1986 Prop-2-in-1-ol Prop-2-yne-1-ol Propargyl alcohol Propynyl alcohol ethynylmethanol CHEBI:28905 prop-2-yn-1-ol CAS:107-19-7 ChemIDplus CAS:107-19-7 KEGG COMPOUND CAS:107-19-7 NIST Chemistry WebBook PMID:18974778 Europe PMC PMID:20151225 Europe PMC PMID:23043843 Europe PMC Reaxys:506003 Reaxys Prop-2-yn-1-ol KEGG_COMPOUND prop-2-yn-1-ol IUPAC prop-2-yn-1-ol UniProt 1-Hydroxy-2-propyne KEGG_COMPOUND 1-Propyn-3-ol KEGG_COMPOUND 1-Propyn-3-yl alcohol KEGG_COMPOUND 2-Propyn-1-ol KEGG_COMPOUND 2-Propynol KEGG_COMPOUND 2-Propynyl alcohol KEGG_COMPOUND 3-Hydroxy-1-propyne KEGG_COMPOUND 3-Propynol KEGG_COMPOUND Acetylene carbinol ChemIDplus Acetylenylcarbinol ChemIDplus Ethynylcarbinol KEGG_COMPOUND Methanol, ethynyl- ChemIDplus NA 1986 KEGG_COMPOUND Prop-2-in-1-ol KEGG_COMPOUND Prop-2-yne-1-ol KEGG_COMPOUND Propargyl alcohol KEGG_COMPOUND Propynyl alcohol KEGG_COMPOUND ethynylmethanol NIST_Chemistry_WebBook 0 C5H11Cl2N InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3 HAWPXGHAZFHHAD-UHFFFAOYSA-N 156.05298 155.02685 CN(CCCl)CCCl CHEBI:25557 CHEBI:6708 CAS:51-75-2 DrugBank:DB00888 Drug_Central:1647 KEGG:C07115 KEGG:D07671 Wikipedia:Mechlorethamine 2-chloro-N-(2-chloroethyl)-N-methylethanamine Mechlorethamine chebi_ontology 2,2'-dichloro-N-methyldiethylamine Chlormethine N-methyl-bis(2-chloroethyl)amine N-methyl-bis(beta-chloroethyl)amine beta,beta'-dichlorodiethyl-N-methylamine bis(2-chloroethyl)methylamine bis(beta-chloroethyl)methylamine chlormethine methylbis(2-chloroethyl)amine methylbis(beta-chloroethyl)amine nitrogen mustard CHEBI:28925 mechlorethamine CAS:51-75-2 ChemIDplus CAS:51-75-2 KEGG COMPOUND CAS:51-75-2 NIST Chemistry WebBook Drug_Central:1647 DrugCentral 2-chloro-N-(2-chloroethyl)-N-methylethanamine IUPAC Mechlorethamine KEGG_COMPOUND 2,2'-dichloro-N-methyldiethylamine ChemIDplus Chlormethine KEGG_COMPOUND N-methyl-bis(2-chloroethyl)amine ChemIDplus N-methyl-bis(beta-chloroethyl)amine NIST_Chemistry_WebBook beta,beta'-dichlorodiethyl-N-methylamine NIST_Chemistry_WebBook bis(2-chloroethyl)methylamine NIST_Chemistry_WebBook bis(beta-chloroethyl)methylamine NIST_Chemistry_WebBook chlormethine ChemIDplus methylbis(2-chloroethyl)amine ChemIDplus methylbis(beta-chloroethyl)amine NIST_Chemistry_WebBook nitrogen mustard ChemIDplus A vitamin D supplement and has been isolated from alfalfa. http://langual.org 0 C28H44O InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 MECHNRXZTMCUDQ-RKHKHRCZSA-N 396.659 396.33922 [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C CHEBI:10007 CHEBI:23937 AGR:IND605848433 Beilstein:1916682 CAS:50-14-6 Chemspider:4444351 DrugBank:DB00153 Drug_Central:2838 FooDB:FDB012811 Gmelin:1310395 HMDB:HMDB0000900 KEGG:C05441 KEGG:D00187 LIPID_MAPS_instance:LMST03010001 MetaCyc:VITAMIN_D2 PDBeChem:D2V PMCID:PMC6578466 PMID:24362707 PMID:24780068 PMID:24854739 PMID:31199458 PMID:31614966 PMID:31987498 PMID:32784944 PMID:34302325 PPDB:107 Patent:US1680818 Patent:US1871136 Patent:US1902785 Patent:US2030792 Wikipedia:Ergocalciferol http://www.langual.org/langual_thesaurus.asp?termid=B3769 (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol Vitamin D2 ergocalciferol vitamin D2 chebi_ontology (+)-vitamin D2 (3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol (5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol Buco-D Decaps Dee-Ron Deltalin Diactol Doral Drisdol Ertron Geltabs Ostelin Radiostol Radsterin Rodine C Rodinec Sterogyl Vio-D Viosterol Vitamina D2 Vitavel-D activated ergosterol calciferol ercalciol ergocalciferol ergocalciferolum oleovitamin D2 CHEBI:28934 vitamin D2 An onium cation obtained by protonation of ammonia. +1 H4N InChI=1S/H3N/h1H3/p+1 QGZKDVFQNNGYKY-UHFFFAOYSA-O 18.03850 18.03383 [H][N+]([H])([H])[H] CHEBI:22534 CHEBI:49783 CHEBI:7435 CAS:14798-03-9 Gmelin:84 KEGG:C01342 MetaCyc:AMMONIUM MolBase:929 PDBeChem:NH4 PMID:11319011 PMID:11341317 PMID:12096804 PMID:14512268 PMID:14879753 PMID:16345391 PMID:16903292 PMID:17392693 PMID:18515490 PMID:19199063 PMID:19596600 PMID:19682559 PMID:19716251 PMID:21993530 PMID:22265469 PMID:22524020 PMID:22562341 PMID:22631217 Reaxys:16093784 Wikipedia:Ammonium ammonium azanium chebi_ontology Ammonium(1+) NH4(+) NH4+ [NH4](+) ammonium cation ammonium ion CHEBI:28938 ammonium CAS:14798-03-9 ChemIDplus CAS:14798-03-9 NIST Chemistry WebBook CAS:14798-03-9 ChemIDplus CAS:14798-03-9 NIST Chemistry WebBook Gmelin:84 Gmelin Gmelin:84 Gmelin PMID:11319011 Europe PMC PMID:11319011 Europe PMC PMID:11341317 Europe PMC PMID:11341317 Europe PMC PMID:12096804 Europe PMC PMID:12096804 Europe PMC PMID:14512268 Europe PMC PMID:14512268 Europe PMC PMID:14879753 Europe PMC PMID:14879753 Europe PMC PMID:16345391 Europe PMC PMID:16345391 Europe PMC PMID:16903292 Europe PMC PMID:16903292 Europe PMC PMID:17392693 Europe PMC PMID:17392693 Europe PMC PMID:18515490 Europe PMC PMID:18515490 Europe PMC PMID:19199063 Europe PMC PMID:19199063 Europe PMC PMID:19596600 Europe PMC PMID:19596600 Europe PMC PMID:19682559 Europe PMC PMID:19682559 Europe PMC PMID:19716251 Europe PMC PMID:19716251 Europe PMC PMID:21993530 Europe PMC PMID:21993530 Europe PMC PMID:22265469 Europe PMC PMID:22265469 Europe PMC PMID:22524020 Europe PMC PMID:22524020 Europe PMC PMID:22562341 Europe PMC PMID:22562341 Europe PMC PMID:22631217 Europe PMC PMID:22631217 Europe PMC Reaxys:16093784 Reaxys Reaxys:16093784 Reaxys ammonium ChEBI ammonium IUPAC azanium IUPAC Ammonium(1+) ChemIDplus NH4(+) IUPAC NH4(+) UniProt NH4+ KEGG_COMPOUND [NH4](+) MolBase ammonium cation ChemIDplus ammonium ion PDBeChem A nitramine that is methylamine in which one of the hydrogens attached to the nitrogen is substituted by a nitro group while the other is substituted by a 2,4,6-trinitrophenyl group. A yellow crystalline powder, it is a high explosive, capable of being detonated by friction, shock, or a spark. 0 C7H5N5O8 InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3 AGUIVNYEYSCPNI-UHFFFAOYSA-N 287.14330 287.01381 CN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O CHEBI:25542 CAS:479-45-8 Reaxys:964788 Wikipedia:Tetryl N-methyl-N,2,4,6-tetranitroaniline N-methyl-N-picrylnitramine chebi_ontology (trinitrophenyl)methylnitramine 2,4,6-(trinitrophenyl)methylnitroamine 2,4,6-tetryl 2,4,6-trinitrophenyl-N-methylnitramine 2,4,6-trinitrophenylmethylnitramine N-methyl-N,2,4,6-tetranitroaniline N-methyl-N,2,4,6-tetranitrobenzenamine N-methyl-N-nitro-2,4,6-trinitroaniline N-picryl-N-methylnitramine nitramine CHEBI:28950 N-methyl-N-picrylnitramine CAS:479-45-8 ChemIDplus CAS:479-45-8 NIST Chemistry WebBook Reaxys:964788 Reaxys N-methyl-N,2,4,6-tetranitroaniline IUPAC N-methyl-N-picrylnitramine NIST_Chemistry_WebBook (trinitrophenyl)methylnitramine NIST_Chemistry_WebBook 2,4,6-(trinitrophenyl)methylnitroamine ChemIDplus 2,4,6-tetryl ChemIDplus 2,4,6-trinitrophenyl-N-methylnitramine ChemIDplus 2,4,6-trinitrophenylmethylnitramine ChemIDplus N-methyl-N,2,4,6-tetranitroaniline ChemIDplus N-methyl-N,2,4,6-tetranitrobenzenamine ChemIDplus N-methyl-N-nitro-2,4,6-trinitroaniline ChemIDplus N-picryl-N-methylnitramine ChemIDplus nitramine ChemIDplus Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups. CHEBI:22481 CHEBI:22530 CHEBI:2662 KEGG:C05383 PMID:18424273 PMID:9056391 chebi_ontology Aminosugars amino sugars aminosugar CHEBI:28963 amino sugar PMID:18424273 Europe PMC PMID:9056391 Europe PMC Aminosugars KEGG_COMPOUND amino sugars ChEBI aminosugar ChEBI A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid. -2 C2O4R 88.019 87.97966 [O-]C(=O)[*]C([O-])=O CHEBI:13632 CHEBI:23688 CHEBI:23689 CHEBI:38711 dicarboxylic acid dianion chebi_ontology a dicarboxylate dicarboxylate dicarboxylates dicarboxylic acid dianions CHEBI:28965 dicarboxylic acid dianion dicarboxylic acid dianion ChEBI a dicarboxylate UniProt dicarboxylate ChEBI dicarboxylates ChEBI dicarboxylic acid dianions ChEBI A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position. 0 C21H22N2O2 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-N 334.41160 334.16813 [H][C@@]12CC(=O)N3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] CHEBI:26795 CHEBI:9293 BPDB:2066 Beilstein:52979 CAS:57-24-9 Drug_Central:2484 Gmelin:117894 KEGG:C06522 KNApSAcK:C00001770 KNApSAcK:C00025213 PDBeChem:SY9 PMID:10471592 PMID:10821054 PMID:11024105 PMID:11157095 PMID:11324564 PMID:11327524 PMID:11453337 PMID:11516560 PMID:11900860 PMID:12611967 PMID:12718443 PMID:12742643 PMID:12757728 PMID:14530208 PMID:14552874 PMID:14575889 PMID:15046720 PMID:15275654 PMID:15302677 PMID:15601738 PMID:15610168 PMID:16075189 PMID:16171972 PMID:16887371 PMID:16950410 PMID:17145135 PMID:17365101 PMID:17449162 PMID:17595105 PMID:17827655 PMID:17900376 PMID:18199816 PMID:19071748 PMID:19194159 PMID:19200346 PMID:19394327 PMID:19445923 PMID:19617896 PMID:19628662 PMID:20534469 PMID:20810461 PMID:20837125 PMID:21042643 PMID:21109870 PMID:21468359 PMID:21506420 PMID:21532268 PMID:21616062 PMID:21618309 PMID:21666516 PMID:21726589 PMID:22168233 PMID:22417832 PMID:23395890 PMID:25702781 PMID:25877308 PMID:25958869 PMID:26028680 PMID:26173662 PMID:26223366 PMID:26330182 PMID:26416729 PMID:26556179 PMID:26625339 PMID:9918589 Reaxys:52979 Wikipedia:Strychnine Strychnine strychnidin-10-one chebi_ontology Strychnin CHEBI:28973 strychnine Beilstein:52979 Beilstein CAS:57-24-9 ChemIDplus CAS:57-24-9 KEGG COMPOUND CAS:57-24-9 NIST Chemistry WebBook Drug_Central:2484 DrugCentral Gmelin:117894 Gmelin PMID:10471592 Europe PMC PMID:10821054 Europe PMC PMID:11024105 Europe PMC PMID:11157095 Europe PMC PMID:11324564 Europe PMC PMID:11327524 Europe PMC PMID:11453337 Europe PMC PMID:11516560 Europe PMC PMID:11900860 Europe PMC PMID:12611967 Europe PMC PMID:12718443 Europe PMC PMID:12742643 Europe PMC PMID:12757728 Europe PMC PMID:14530208 Europe PMC PMID:14552874 Europe PMC PMID:14575889 Europe PMC PMID:15046720 Europe PMC PMID:15275654 Europe PMC PMID:15302677 Europe PMC PMID:15601738 Europe PMC PMID:15610168 Europe PMC PMID:16075189 Europe PMC PMID:16171972 Europe PMC PMID:16887371 Europe PMC PMID:16950410 Europe PMC PMID:17145135 Europe PMC PMID:17365101 Europe PMC PMID:17449162 Europe PMC PMID:17595105 Europe PMC PMID:17827655 Europe PMC PMID:17900376 Europe PMC PMID:18199816 Europe PMC PMID:19071748 Europe PMC PMID:19194159 Europe PMC PMID:19200346 Europe PMC PMID:19394327 Europe PMC PMID:19445923 Europe PMC PMID:19617896 Europe PMC PMID:19628662 Europe PMC PMID:20534469 Europe PMC PMID:20810461 Europe PMC PMID:20837125 Europe PMC PMID:21042643 Europe PMC PMID:21109870 Europe PMC PMID:21468359 Europe PMC PMID:21506420 Europe PMC PMID:21532268 Europe PMC PMID:21616062 Europe PMC PMID:21618309 Europe PMC PMID:21666516 Europe PMC PMID:21726589 Europe PMC PMID:22168233 Europe PMC PMID:22417832 Europe PMC PMID:23395890 Europe PMC PMID:25702781 Europe PMC PMID:25877308 Europe PMC PMID:25958869 Europe PMC PMID:26028680 Europe PMC PMID:26173662 Europe PMC PMID:26223366 Europe PMC PMID:26330182 Europe PMC PMID:26416729 Europe PMC PMID:26556179 Europe PMC PMID:26625339 Europe PMC PMID:9918589 Europe PMC Reaxys:52979 Reaxys Strychnine KEGG_COMPOUND strychnidin-10-one IUPAC Strychnin ChemIDplus 0 CH2O3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) BVKZGUZCCUSVTD-UHFFFAOYSA-N 62.02478 62.00039 OC(O)=O CHEBI:13351 CHEBI:23017 CHEBI:23744 CHEBI:3401 CAS:463-79-6 Gmelin:25554 KEGG:C01353 PDBeChem:CO3 Carbonic acid carbonic acid dihydroxidooxidocarbon chebi_ontology Dihydrogen carbonate H2CO3 Koehlensaeure [CO(OH)2] CHEBI:28976 carbonic acid CAS:463-79-6 ChemIDplus CAS:463-79-6 KEGG COMPOUND Gmelin:25554 Gmelin Carbonic acid KEGG_COMPOUND carbonic acid IUPAC dihydroxidooxidocarbon IUPAC Dihydrogen carbonate KEGG_COMPOUND H2CO3 IUPAC H2CO3 KEGG_COMPOUND Koehlensaeure ChEBI [CO(OH)2] IUPAC 0 Al InChI=1S/Al XAGFODPZIPBFFR-UHFFFAOYSA-N 26.98154 26.98154 [Al] CHEBI:22471 CHEBI:2616 CAS:7429-90-5 DrugBank:DB01370 Gmelin:16248 KEGG:C06264 WebElements:Al aluminium chebi_ontology 13Al Al Aluminium aluminio aluminium aluminum CHEBI:28984 aluminium atom CAS:7429-90-5 ChemIDplus CAS:7429-90-5 KEGG COMPOUND Gmelin:16248 Gmelin aluminium IUPAC 13Al IUPAC Al IUPAC Al KEGG_COMPOUND Aluminium ChEBI Aluminium KEGG_COMPOUND aluminio ChEBI aluminium ChEBI aluminum NIST_Chemistry_WebBook An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. 0 C6H12 InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 XDTMQSROBMDMFD-UHFFFAOYSA-N 84.15948 84.09390 C1CCCCC1 CHEBI:23472 CHEBI:4009 CHEBI:41506 Beilstein:1900225 CAS:110-82-7 DrugBank:DB03561 Gmelin:1662 HMDB:HMDB0029597 KEGG:C11249 MetaCyc:CPD-8923 PDBeChem:CHX PMID:11234809 PMID:24334480 Reaxys:1900225 Wikipedia:Cyclohexane CYCLOHEXANE Cyclohexane cyclohexane chebi_ontology Cyclohexan hexahydrobenzene hexamethylene hexanaphthene CHEBI:29005 cyclohexane Beilstein:1900225 Beilstein CAS:110-82-7 ChemIDplus CAS:110-82-7 KEGG COMPOUND CAS:110-82-7 NIST Chemistry WebBook Gmelin:1662 Gmelin PMID:11234809 Europe PMC PMID:24334480 Europe PMC Reaxys:1900225 Reaxys CYCLOHEXANE PDBeChem Cyclohexane KEGG_COMPOUND cyclohexane IUPAC Cyclohexan ChemIDplus hexahydrobenzene NIST_Chemistry_WebBook hexamethylene NIST_Chemistry_WebBook hexanaphthene NIST_Chemistry_WebBook A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. 0 C18H18N8O7S3 InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 VAAUVRVFOQPIGI-SPQHTLEESA-N 554.58000 554.04606 [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O CHEBI:23059 CHEBI:3513 CHEBI:446214 Beilstein:6495519 CAS:73384-59-5 DrugBank:DB01212 Drug_Central:564 HMDB:HMDB0015343 KEGG:C06683 KEGG:D07659 MetaCyc:CPD-12294 PMID:11067716 PMID:11285492 PMID:11431418 PMID:11432680 PMID:11529382 PMID:11605716 PMID:11642230 PMID:11760218 PMID:11815759 PMID:11856984 PMID:11875753 PMID:11985490 PMID:12146884 PMID:12426628 PMID:12569987 PMID:12711894 PMID:12797390 PMID:12830336 PMID:12833570 PMID:12868545 PMID:1384868 PMID:15091234 PMID:15106316 PMID:15225244 PMID:15499067 PMID:15828439 PMID:15846537 PMID:15880392 PMID:15886468 PMID:16082406 PMID:16118675 PMID:16161754 PMID:16185184 PMID:16602117 PMID:16640341 PMID:16734965 PMID:17129840 PMID:17173674 PMID:17216959 PMID:17226043 PMID:17347554 PMID:17367972 PMID:17592517 PMID:18246742 PMID:18473104 PMID:18484523 PMID:18611641 PMID:18676229 PMID:18773080 PMID:18977704 PMID:19008722 PMID:19367098 PMID:19423473 PMID:19496200 PMID:19625514 PMID:19649758 PMID:21425867 PMID:29017833 Patent:GB2022090 Patent:US4327210 Reaxys:6495519 Wikipedia:Ceftriaxone 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ceftriaxona ceftriaxone ceftriaxonum rocephin CHEBI:29007 ceftriaxone Beilstein:6495519 Beilstein CAS:73384-59-5 ChemIDplus CAS:73384-59-5 KEGG COMPOUND CAS:73384-59-5 KEGG DRUG Drug_Central:564 DrugCentral PMID:11067716 Europe PMC PMID:11285492 Europe PMC PMID:11431418 Europe PMC PMID:11432680 Europe PMC PMID:11529382 Europe PMC PMID:11605716 Europe PMC PMID:11642230 Europe PMC PMID:11760218 Europe PMC PMID:11815759 Europe PMC PMID:11856984 Europe PMC PMID:11875753 Europe PMC PMID:11985490 Europe PMC PMID:12146884 Europe PMC PMID:12426628 Europe PMC PMID:12569987 Europe PMC PMID:12711894 Europe PMC PMID:12797390 Europe PMC PMID:12830336 Europe PMC PMID:12833570 Europe PMC PMID:12868545 Europe PMC PMID:1384868 Europe PMC PMID:15091234 Europe PMC PMID:15106316 Europe PMC PMID:15225244 Europe PMC PMID:15499067 Europe PMC PMID:15828439 Europe PMC PMID:15846537 Europe PMC PMID:15880392 Europe PMC PMID:15886468 Europe PMC PMID:16082406 Europe PMC PMID:16118675 Europe PMC PMID:16161754 Europe PMC PMID:16185184 Europe PMC PMID:16602117 Europe PMC PMID:16640341 ChEMBL PMID:16734965 Europe PMC PMID:17129840 Europe PMC PMID:17173674 Europe PMC PMID:17216959 Europe PMC PMID:17226043 Europe PMC PMID:17347554 Europe PMC PMID:17367972 Europe PMC PMID:17592517 Europe PMC PMID:18246742 Europe PMC PMID:18473104 Europe PMC PMID:18484523 Europe PMC PMID:18611641 Europe PMC PMID:18676229 Europe PMC PMID:18773080 Europe PMC PMID:18977704 Europe PMC PMID:19008722 Europe PMC PMID:19367098 Europe PMC PMID:19423473 Europe PMC PMID:19496200 Europe PMC PMID:19625514 Europe PMC PMID:19649758 Europe PMC PMID:21425867 Europe PMC PMID:29017833 Europe PMC Reaxys:6495519 Reaxys 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid IUPAC (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC ceftriaxona ChemIDplus ceftriaxone KEGG_DRUG ceftriaxonum ChemIDplus rocephin ChEBI 0 C10H13N5O3 InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1 OFEZSBMBBKLLBJ-BAJZRUMYSA-N 251.24190 251.10184 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O CHEBI:19841 CHEBI:3881 Beilstein:0035194 CAS:73-03-0 KEGG:C08431 KNApSAcK:C00001495 PDBeChem:3AD 3'-deoxyadenosine Cordycepin chebi_ontology 9-(beta-D-3'-Deoxyribofuranosyl)adenine 9-Cordyceposidoadenine 9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)- Cordycepine CHEBI:29014 cordycepin Beilstein:0035194 Beilstein CAS:73-03-0 ChemIDplus 3'-deoxyadenosine IUPAC Cordycepin KEGG_COMPOUND 9-(beta-D-3'-Deoxyribofuranosyl)adenine ChemIDplus 9-Cordyceposidoadenine ChemIDplus 9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)- ChemIDplus Cordycepine ChemIDplus An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. 0 C6H14N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N 174.20112 174.11168 NC(CCCNC(N)=N)C(O)=O CHEBI:22616 CHEBI:2643 Beilstein:1725411 CAS:7200-25-1 KEGG:C02385 PMID:10848923 Reaxys:1725411 Wikipedia:L-Arginine Arginine arginine chebi_ontology 2-Amino-5-guanidinovaleric acid 2-amino-5-(carbamimidamido)pentanoic acid 2-amino-5-guanidinopentanoic acid Arginin Harg CHEBI:29016 arginine Beilstein:1725411 Beilstein CAS:7200-25-1 ChemIDplus PMID:10848923 Europe PMC Reaxys:1725411 Reaxys Arginine KEGG_COMPOUND arginine IUPAC 2-Amino-5-guanidinovaleric acid KEGG_COMPOUND 2-amino-5-(carbamimidamido)pentanoic acid IUPAC 2-amino-5-guanidinopentanoic acid JCBN Arginin ChEBI Harg IUPAC A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. 0 C9H18O2 InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) FBUKVWPVBMHYJY-UHFFFAOYSA-N 158.23800 158.13068 CCCCCCCCC(O)=O CHEBI:25861 CHEBI:7616 BPDB:1327 Beilstein:1752351 CAS:112-05-0 Gmelin:185341 KEGG:C01601 KNApSAcK:C00030829 LIPID_MAPS_instance:LMFA01010009 MetaCyc:CPD-8505 PMID:11413921 PMID:16124228 PMID:19274268 PMID:20673187 Reaxys:1752351 Wikipedia:Nonanoic_acid Nonanoic acid nonanoic acid chebi_ontology 1-nonanoic acid 1-octanecarboxylic acid CH3-[CH2]7-COOH Nonanoate Nonansaeure Pelargonic acid Pelargonsaeure n-nonanoic acid nonoic acid nonylic acid pelargic acid pelargon pergonic acid CHEBI:29019 nonanoic acid Beilstein:1752351 Beilstein CAS:112-05-0 ChemIDplus CAS:112-05-0 KEGG COMPOUND CAS:112-05-0 NIST Chemistry WebBook Gmelin:185341 Gmelin LIPID_MAPS_instance:LMFA01010009 LIPID MAPS PMID:11413921 Europe PMC PMID:16124228 Europe PMC PMID:19274268 Europe PMC PMID:20673187 Europe PMC Reaxys:1752351 Reaxys Nonanoic acid KEGG_COMPOUND nonanoic acid IUPAC 1-nonanoic acid ChEBI 1-octanecarboxylic acid ChEBI CH3-[CH2]7-COOH IUPAC Nonanoate KEGG_COMPOUND Nonansaeure ChEBI Pelargonic acid KEGG_COMPOUND Pelargonsaeure ChEBI n-nonanoic acid ChEBI n-nonanoic acid NIST_Chemistry_WebBook nonoic acid NIST_Chemistry_WebBook nonylic acid NIST_Chemistry_WebBook pelargic acid ChEBI pelargon ChEBI pergonic acid ChEBI An unbranched alkane containing six carbon atoms. 0 C6H14 InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 VLKZOEOYAKHREP-UHFFFAOYSA-N 86.17536 86.10955 CCCCCC CHEBI:10606 CHEBI:24566 CHEBI:24568 CHEBI:43148 Beilstein:1730733 CAS:110-54-3 DrugBank:DB02764 Gmelin:1985 HMDB:HMDB0029600 KEGG:C11271 LIPID_MAPS_instance:LMFA11000007 PDBeChem:HEX PMID:11292478 PMID:11684179 PMID:11886809 PMID:15325316 PMID:18231777 PMID:19229957 PMID:19384711 PMID:23452516 PMID:23567114 PMID:23620851 PMID:23740543 PMID:23822317 PMID:23931182 PMID:7612176 Reaxys:1730733 Wikipedia:Hexane HEXANE Hexane hexane chebi_ontology CH3-[CH2]4-CH3 Hexan n-Hexane CHEBI:29021 hexane Beilstein:1730733 Beilstein CAS:110-54-3 ChemIDplus CAS:110-54-3 KEGG COMPOUND CAS:110-54-3 NIST Chemistry WebBook Gmelin:1985 Gmelin LIPID_MAPS_instance:LMFA11000007 LIPID MAPS PMID:11292478 Europe PMC PMID:11684179 Europe PMC PMID:11886809 Europe PMC PMID:15325316 Europe PMC PMID:18231777 Europe PMC PMID:19229957 Europe PMC PMID:19384711 Europe PMC PMID:23452516 Europe PMC PMID:23567114 Europe PMC PMID:23620851 Europe PMC PMID:23740543 Europe PMC PMID:23822317 Europe PMC PMID:23931182 Europe PMC PMID:7612176 Europe PMC Reaxys:1730733 Reaxys HEXANE PDBeChem Hexane KEGG_COMPOUND hexane IUPAC CH3-[CH2]4-CH3 IUPAC Hexan ChEBI n-Hexane KEGG_COMPOUND 0 C2H2Cl2 InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ KFUSEUYYWQURPO-OWOJBTEDSA-N 96.94268 95.95336 Cl\C=C\Cl CHEBI:10701 CHEBI:18808 Beilstein:1420761 CAS:156-60-5 CAS:540-59-0 Gmelin:259701 KEGG:C06791 UM-BBD_compID:c0034 (E)-1,2-dichloroethene trans-1,2-Dichloroethene chebi_ontology (E)-1,2-dichloroethylene 1,2-trans-dichloroethylene trans-1,2-dichloroethylene trans-Acetylene dichloride trans-dichloroethylene CHEBI:29027 trans-1,2-dichloroethene Beilstein:1420761 ChemIDplus CAS:156-60-5 ChemIDplus CAS:156-60-5 NIST Chemistry WebBook CAS:540-59-0 KEGG COMPOUND Gmelin:259701 Gmelin UM-BBD_compID:c0034 UM-BBD (E)-1,2-dichloroethene IUPAC trans-1,2-Dichloroethene KEGG_COMPOUND (E)-1,2-dichloroethylene NIST_Chemistry_WebBook 1,2-trans-dichloroethylene NIST_Chemistry_WebBook trans-1,2-dichloroethylene ChemIDplus trans-Acetylene dichloride KEGG_COMPOUND trans-dichloroethylene ChemIDplus A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group. -1 C9H16NO5 InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-M 218.22708 218.10340 CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O CHEBI:11008 CHEBI:18700 CAS:20938-62-9 Gmelin:775395 MetaCyc:PANTOTHENATE PMID:15565250 PMID:16042590 Reaxys:3907450 (R)-Pantothenate (R)-pantothenate 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate chebi_ontology (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-) pantothenate CHEBI:29032 (R)-pantothenate CAS:20938-62-9 ChemIDplus Gmelin:775395 Gmelin PMID:15565250 Europe PMC PMID:16042590 Europe PMC Reaxys:3907450 Reaxys (R)-Pantothenate KEGG_COMPOUND (R)-pantothenate UniProt 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate IUPAC (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-) ChemIDplus pantothenate ChemIDplus +2 Fe InChI=1S/Fe/q+2 CWYNVVGOOAEACU-UHFFFAOYSA-N 55.84500 55.93384 [Fe++] CHEBI:13319 CHEBI:13321 CHEBI:21129 CHEBI:24876 CHEBI:34754 CHEBI:49599 CAS:15438-31-0 Gmelin:6845 KEGG:C14818 PDBeChem:FE2 Iron(2+) iron(2+) iron(2+) ion iron(II) cation chebi_ontology FE (II) ION Fe(2+) Fe(II) Fe2+ Ferrous ion iron ion(2+) CHEBI:29033 iron(2+) iron(2+) +3 Fe InChI=1S/Fe/q+3 VTLYFUHAOXGGBS-UHFFFAOYSA-N 55.84500 55.93329 [Fe+3] CHEBI:13320 CHEBI:21130 CHEBI:24877 CHEBI:34755 CHEBI:49595 CAS:20074-52-6 Gmelin:15986 KEGG:C14819 PDBeChem:FE Iron(3+) iron(3+) iron(3+) ion iron(III) cation chebi_ontology FE (III) ION Fe(3+) Fe(III) Fe3+ Ferric ion ferric iron iron, ion (Fe(3+)) CHEBI:29034 iron(3+) CAS:20074-52-6 ChemIDplus Gmelin:15986 Gmelin Iron(3+) KEGG_COMPOUND iron(3+) IUPAC iron(3+) ion IUPAC iron(III) cation IUPAC FE (III) ION PDBeChem Fe(3+) IUPAC Fe(3+) UniProt Fe(III) KEGG_COMPOUND Fe3+ KEGG_COMPOUND Ferric ion KEGG_COMPOUND ferric iron ChEBI iron, ion (Fe(3+)) ChemIDplus An ion of copper carrying a double positive charge. +2 Cu InChI=1S/Cu/q+2 JPVYNHNXODAKFH-UHFFFAOYSA-N 63.54600 62.92850 [Cu++] CHEBI:20882 CHEBI:23380 CHEBI:49550 CAS:15158-11-9 Gmelin:6855 PDBeChem:CU PMID:23900424 PMID:24168430 Reaxys:3587177 copper(2+) copper(2+) ion copper(II) cation chebi_ontology COPPER (II) ION Cu(2+) Cu(II) Cu2+ copper(II) cation copper, ion (Cu2+) cupric ion CHEBI:29036 copper(2+) copper(2+) CAS:15158-11-9 ChemIDplus Gmelin:6855 Gmelin PMID:23900424 Europe PMC PMID:24168430 Europe PMC Reaxys:3587177 Reaxys copper(2+) IUPAC copper(2+) ion IUPAC copper(II) cation IUPAC COPPER (II) ION PDBeChem Cu(2+) UniProt Cu(II) ChEBI Cu2+ ChEBI copper(II) cation ChEBI copper, ion (Cu2+) ChemIDplus cupric ion ChEBI An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. 0 C14H22N2O3 InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N 266.33610 266.16304 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 Beilstein:2739235 CAS:29122-68-7 DrugBank:DB00335 Drug_Central:255 Gmelin:2179742 HMDB:HMDB0001924 KEGG:D00235 LINCS:LSM-4355 PMID:23581644 PMID:9813739 Patent:DE2007751 Patent:US3663607 Patent:US3836671 Reaxys:2739235 VSDB:2965 Wikipedia:Atenolol 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide chebi_ontology 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide atenolol atenololum CHEBI:2904 atenolol Beilstein:2739235 Beilstein CAS:29122-68-7 ChemIDplus CAS:29122-68-7 DrugBank CAS:29122-68-7 KEGG DRUG CAS:29122-68-7 NIST Chemistry WebBook Drug_Central:255 DrugCentral Gmelin:2179742 Gmelin PMID:23581644 Europe PMC PMID:9813739 Europe PMC Reaxys:2739235 Reaxys 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide IUPAC 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol NIST_Chemistry_WebBook 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide ChemIDplus 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide ChemIDplus atenolol KEGG_DRUG atenololum ChemIDplus The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated. -1 CO2R 44.00950 43.98983 [O-]C([*])=O CHEBI:13626 CHEBI:13945 CHEBI:23026 CHEBI:58657 chebi_ontology a carboxylate carboxylic acid anions carboxylic anions CHEBI:29067 carboxylic acid anion a carboxylate UniProt carboxylic acid anions ChEBI carboxylic anions ChEBI A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. 0 C8H6O4 InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N 166.13084 166.02661 OC(=O)c1ccccc1C(O)=O CHEBI:14832 CHEBI:26093 CHEBI:44902 CHEBI:8174 Beilstein:608199 CAS:88-99-3 DrugBank:DB02746 Gmelin:27343 KEGG:C01606 PDBeChem:PHT PMID:10682108 PMID:15016950 PMID:16804812 PMID:9838120 Reaxys:608199 Wikipedia:Phthalic_acid PHTHALIC ACID Phthalic acid benzene-1,2-dicarboxylic acid chebi_ontology 1,2-Benzenedicarboxylic acid o-benzenedicarboxylic acid ortho-phthalic acid CHEBI:29069 phthalic acid Beilstein:608199 Beilstein CAS:88-99-3 ChemIDplus CAS:88-99-3 KEGG COMPOUND CAS:88-99-3 NIST Chemistry WebBook Gmelin:27343 Gmelin PMID:10682108 Europe PMC PMID:15016950 Europe PMC PMID:16804812 Europe PMC PMID:9838120 Europe PMC Reaxys:608199 Reaxys PHTHALIC ACID PDBeChem Phthalic acid KEGG_COMPOUND benzene-1,2-dicarboxylic acid IUPAC 1,2-Benzenedicarboxylic acid KEGG_COMPOUND o-benzenedicarboxylic acid NIST_Chemistry_WebBook ortho-phthalic acid ChEBI The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate. 0 C6H8O6 InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 CIWBSHSKHKDKBQ-JLAZNSOCSA-N 176.12410 176.03209 [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO CHEBI:21240 CHEBI:2868 CHEBI:40892 CHEBI:43473 BPDB:2405 Beilstein:84272 CAS:50-81-7 DrugBank:DB00126 Drug_Central:4072 Gmelin:4087 HMDB:HMDB0000044 KEGG:C00072 KEGG:D00018 KNApSAcK:C00001179 MetaCyc:ASCORBATE PDBeChem:ASC PMID:10799361 PMID:12180551 PMID:12569111 PMID:15917019 PMID:15925292 PMID:15949874 PMID:16425787 PMID:16522902 PMID:16611389 PMID:16725131 PMID:17253561 PMID:17623524 PMID:17636648 PMID:18813862 PMID:19273781 PMID:19580823 PMID:19692922 PMID:22770225 PMID:3015170 PMID:491997 PMID:5477017 PMID:7711198 PMID:8467348 PMID:8726814 PMID:9506998 Reaxys:84272 Wikipedia:Ascorbic_Acid (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one L-Ascorbic acid L-threo-hex-2-enono-1,4-lactone chebi_ontology ASCORBIC ACID Ascoltin Ascorbic acid Ascorbicap Ascorbinsaeure E 300 E-300 E300 L-(+)-ascorbic acid L-Ascorbate Vitamin C acide ascorbique acido ascorbico acidum ascorbicum acidum ascorbinicum ascorbic acid CHEBI:29073 L-ascorbic acid L-ascorbic acid Beilstein:84272 Beilstein CAS:50-81-7 ChemIDplus CAS:50-81-7 KEGG COMPOUND CAS:50-81-7 NIST Chemistry WebBook Drug_Central:4072 DrugCentral Gmelin:4087 Gmelin PMID:10799361 Europe PMC PMID:12180551 Europe PMC PMID:12569111 Europe PMC PMID:15917019 Europe PMC PMID:15925292 Europe PMC PMID:15949874 Europe PMC PMID:16425787 Europe PMC PMID:16522902 Europe PMC PMID:16611389 Europe PMC PMID:16725131 Europe PMC PMID:17253561 Europe PMC PMID:17623524 Europe PMC PMID:17636648 Europe PMC PMID:18813862 Europe PMC PMID:19273781 Europe PMC PMID:19580823 Europe PMC PMID:19692922 Europe PMC PMID:22770225 Europe PMC PMID:3015170 Europe PMC PMID:491997 Europe PMC PMID:5477017 Europe PMC PMID:7711198 Europe PMC PMID:8467348 Europe PMC PMID:8726814 Europe PMC PMID:9506998 Europe PMC Reaxys:84272 Reaxys (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one IUPAC L-Ascorbic acid KEGG_COMPOUND L-threo-hex-2-enono-1,4-lactone IUPAC ASCORBIC ACID PDBeChem Ascoltin KEGG_DRUG Ascorbic acid KEGG_COMPOUND Ascorbicap KEGG_DRUG Ascorbinsaeure ChEBI E 300 ChEBI E-300 ChEBI E300 ChEBI L-(+)-ascorbic acid NIST_Chemistry_WebBook L-Ascorbate KEGG_COMPOUND Vitamin C KEGG_COMPOUND acide ascorbique ChemIDplus acido ascorbico ChemIDplus acidum ascorbicum ChemIDplus acidum ascorbinicum ChemIDplus ascorbic acid KEGG_DRUG 0 C5H10O7PR 213.103 213.01641 CHEBI:14616 CHEBI:25404 CHEBI:6983 KEGG:C02171 Mononucleotide chebi_ontology mononucleotides CHEBI:29075 mononucleotide Mononucleotide KEGG_COMPOUND mononucleotides ChEBI A monoatomic monocation obtained from sodium. +1 Na InChI=1S/Na/q+1 FKNQFGJONOIPTF-UHFFFAOYSA-N 22.98977 22.98922 [Na+] CHEBI:26717 CHEBI:49766 CHEBI:9175 CAS:17341-25-2 Gmelin:15196 KEGG:C01330 PDBeChem:NA sodium cation sodium(1+) sodium(1+) ion sodium(I) cation chebi_ontology Na(+) Na+ SODIUM ION CHEBI:29101 sodium(1+) CAS:17341-25-2 ChemIDplus CAS:17341-25-2 NIST Chemistry WebBook Gmelin:15196 Gmelin sodium cation IUPAC sodium(1+) IUPAC sodium(1+) ion IUPAC sodium(I) cation IUPAC Na(+) IUPAC Na(+) UniProt Na+ KEGG_COMPOUND SODIUM ION PDBeChem A monoatomic monocation obtained from potassium. +1 K InChI=1S/K/q+1 NPYPAHLBTDXSSS-UHFFFAOYSA-N 39.09830 38.96316 [K+] CHEBI:26219 CHEBI:49685 CHEBI:8345 CAS:24203-36-9 Gmelin:15203 KEGG:C00238 KEGG:D08403 PDBeChem:K potassium cation potassium(1+) potassium(1+) ion potassium(I) cation chebi_ontology K(+) K+ POTASSIUM ION CHEBI:29103 potassium(1+) potassium(1+) CAS:24203-36-9 NIST Chemistry WebBook Gmelin:15203 Gmelin potassium cation IUPAC potassium(1+) IUPAC potassium(1+) ion IUPAC potassium(I) cation IUPAC K(+) IUPAC K(+) UniProt K+ KEGG_COMPOUND POTASSIUM ION PDBeChem +2 Ca InChI=1S/Ca/q+2 BHPQYMZQTOCNFJ-UHFFFAOYSA-N 40.07800 39.96149 [Ca++] CHEBI:22988 CHEBI:3308 CHEBI:48760 CAS:14127-61-8 Gmelin:6850 KEGG:C00076 PDBeChem:CA calcium(2+) calcium(2+) ion calcium(II) cation chebi_ontology CALCIUM ION Ca(2+) Ca2+ calcium, doubly charged positive ion CHEBI:29108 calcium(2+) CAS:14127-61-8 ChemIDplus CAS:14127-61-8 NIST Chemistry WebBook Gmelin:6850 Gmelin calcium(2+) IUPAC calcium(2+) ion IUPAC calcium(II) cation IUPAC CALCIUM ION PDBeChem Ca(2+) IUPAC Ca(2+) UniProt Ca2+ KEGG_COMPOUND calcium, doubly charged positive ion NIST_Chemistry_WebBook A hydrate that is the trihydrate form of atorvastatin calcium. 0 (C33H34FN2O5)2.3H2O.Ca C66H74CaF2N4O13 InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1 SHZPNDRIDUBNMH-NIJVSVLQSA-L 1209.38773 1208.48464 O.O.O.[Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O CAS:344423-98-9 DrugBank:DB01076 KEGG:D00887 KEGG:D02258 Reaxys:14390286 calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} trihydrate chebi_ontology Cardyl Sortis Torvast Totalip CHEBI:2911 atorvastatin calcium trihydrate CAS:344423-98-9 KEGG DRUG Reaxys:14390286 Reaxys calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} trihydrate IUPAC Cardyl DrugBank Sortis DrugBank Torvast DrugBank Totalip DrugBank 0 C17H23NO InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1 JAQUASYNZVUNQP-PVAVHDDUSA-N 257.37066 257.17796 [H][C@]12CCCC[C@]11CCN(C)[C@H]2Cc2ccc(O)cc12 Beilstein:88093 CAS:125-73-5 LINCS:LSM-36603 17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol chebi_ontology (+)-3-hydroxy-N-methylmorphinan d-3-hydroxy-N-methylmorphinan dextrorphan dextrorphane dextrorphanum CHEBI:29133 dextrorphan Beilstein:88093 Beilstein CAS:125-73-5 ChemIDplus 17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol IUPAC (+)-3-hydroxy-N-methylmorphinan ChemIDplus d-3-hydroxy-N-methylmorphinan ChemIDplus dextrorphan ChemIDplus dextrorphane ChemIDplus dextrorphanum ChemIDplus -1 HO2 InChI=1S/H2O2/c1-2/h1-2H/p-1 MHAJPDPJQMAIIY-UHFFFAOYSA-M 33.00674 32.99820 [H]O[O-] CAS:14691-59-9 Gmelin:507 dioxidanide hydrogen(peroxide)(1-) hydrogendioxide(1-) hydrogenperoxide(1-) chebi_ontology HO2(-) HOO anion HOO(-) [HO2](-) CHEBI:29192 hydrogenperoxide(1-) CAS:14691-59-9 ChemIDplus CAS:14691-59-9 NIST Chemistry WebBook Gmelin:507 Gmelin dioxidanide IUPAC hydrogen(peroxide)(1-) IUPAC hydrogendioxide(1-) IUPAC hydrogenperoxide(1-) IUPAC HO2(-) IUPAC HOO anion NIST_Chemistry_WebBook HOO(-) ChEBI [HO2](-) ChEBI -1 CNO InChI=1S/CHNO/c2-1-3/h3H/p-1 XLJMAIOERFSOGZ-UHFFFAOYSA-M 42.01684 41.99854 [O-]C#N CHEBI:14037 CHEBI:23419 CAS:661-20-1 CAS:71000-82-3 FooDB:FDB022835 HMDB:HMDB0002078 KEGG:C01417 MetaCyc:CPD-69 PMID:8323034 UM-BBD_compID:c0568 cyanate nitridooxidocarbonate(1-) chebi_ontology Cyanat OCN(-) Zyanat [C(N)O](-) cyanate ion CHEBI:29195 cyanate CAS:661-20-1 UM-BBD CAS:71000-82-3 ChemIDplus CAS:71000-82-3 KEGG COMPOUND PMID:8323034 Europe PMC UM-BBD_compID:c0568 UM-BBD cyanate IUPAC cyanate UniProt nitridooxidocarbonate(1-) IUPAC Cyanat ChEBI OCN(-) IUPAC Zyanat ChEBI [C(N)O](-) IUPAC cyanate ion ChemIDplus A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom. 0 CHNS InChI=1S/CHNS/c2-1-3/h3H ZMZDMBWJUHKJPS-UHFFFAOYSA-N 59.09000 58.98297 SC#N CHEBI:26956 CHEBI:9550 CAS:463-56-9 Gmelin:25178 KEGG:C01755 PDBeChem:SCN Thiocyanic acid nitridosulfanidocarbon thiocyanic acid chebi_ontology HS-C#N HSCN N#C-SH [C(N)(SH)] [CN(SH)] CHEBI:29200 thiocyanic acid CAS:463-56-9 ChemIDplus CAS:463-56-9 KEGG COMPOUND Gmelin:25178 Gmelin Thiocyanic acid KEGG_COMPOUND nitridosulfanidocarbon IUPAC thiocyanic acid IUPAC HS-C#N ChEBI HSCN IUPAC N#C-SH ChEBI [C(N)(SH)] IUPAC [CN(SH)] IUPAC A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. 0 CHNO InChI=1S/CHNO/c2-1-3/h2H OWIKHYCFFJSOEH-UHFFFAOYSA-N 43.02478 43.00581 N=C=O Beilstein:1616281 CAS:75-13-8 Gmelin:840 PMID:19494520 PMID:26124058 PMID:26760716 PMID:977566 Reaxys:1616281 isocyanic acid chebi_ontology HN=C=O HNCO ICA [C(NH)O] carbimide hydrogen isocyanate isocyanate isocyansaeure isozyansaeure methenamide oxidoazanediidocarbon CHEBI:29202 isocyanic acid Beilstein:1616281 Beilstein CAS:75-13-8 ChemIDplus CAS:75-13-8 NIST Chemistry WebBook Gmelin:840 Gmelin PMID:19494520 Europe PMC PMID:26124058 Europe PMC PMID:26760716 Europe PMC PMID:977566 Europe PMC Reaxys:1616281 Reaxys isocyanic acid IUPAC HN=C=O NIST_Chemistry_WebBook HNCO IUPAC ICA ChEBI [C(NH)O] IUPAC carbimide ChEBI hydrogen isocyanate NIST_Chemistry_WebBook isocyanate UniProt isocyansaeure ChEBI isozyansaeure ChEBI methenamide ChEBI oxidoazanediidocarbon IUPAC 0 H2O2S InChI=1S/H2O2S/c1-3-2/h3H,(H,1,2) BUUPQKDIAURBJP-UHFFFAOYSA-N 66.08068 65.97755 [H]S(O)=O Gmelin:404610 hydridohydroxidooxidosulfur sulfinic acid chebi_ontology HSHO2 [SHO(OH)] CHEBI:29213 sulfinic acid Gmelin:404610 Gmelin hydridohydroxidooxidosulfur IUPAC sulfinic acid IUPAC HSHO2 IUPAC [SHO(OH)] IUPAC 0 H2O3S InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3) BDHFUVZGWQCTTF-UHFFFAOYSA-N 82.08008 81.97247 [H]S(O)(=O)=O Gmelin:1404640 hydridohydroxidodioxidosulfur sulfonic acid chebi_ontology HSHO3 Sulfonsaeure [SHO2(OH)] acide sulfonique sulphonic acid CHEBI:29214 sulfonic acid Gmelin:1404640 Gmelin hydridohydroxidodioxidosulfur IUPAC sulfonic acid IUPAC HSHO3 IUPAC Sulfonsaeure ChEBI [SHO2(OH)] IUPAC acide sulfonique ChEBI sulphonic acid ChEBI 0 ClHO4 InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5) VLTRZXGMWDSKGL-UHFFFAOYSA-N 100.45824 99.95634 [H]OCl(=O)(=O)=O CAS:7601-90-3 Gmelin:2137 hydroxidotrioxidochlorine perchloric acid chebi_ontology HClO4 Perchlorsaeure Ueberchlorsaeure [ClO3(OH)] CHEBI:29221 perchloric acid CAS:7601-90-3 ChemIDplus CAS:7601-90-3 NIST Chemistry WebBook Gmelin:2137 Gmelin hydroxidotrioxidochlorine IUPAC perchloric acid IUPAC HClO4 IUPAC Perchlorsaeure ChEBI Ueberchlorsaeure ChEBI [ClO3(OH)] IUPAC -1 ClO InChI=1S/ClO/c1-2/q-1 WQYVRQLZKVEZGA-UHFFFAOYSA-N 51.45210 50.96432 [O-]Cl CAS:14380-61-1 Gmelin:682 Wikipedia:Hypochlorite hypochlorite oxidochlorate(1-) chebi_ontology ClO(-) Hypochlorit [ClO](-) CHEBI:29222 hypochlorite hypochlorite CAS:14380-61-1 ChemIDplus Gmelin:682 Gmelin hypochlorite IUPAC oxidochlorate(1-) IUPAC ClO(-) IUPAC Hypochlorit ChEBI [ClO](-) IUPAC -1 BrO3 InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1 SXDBWCPKPHAZSM-UHFFFAOYSA-M 127.90220 126.90363 [O-]Br(=O)=O CAS:15541-45-4 Gmelin:1888 bromate trioxidobromate(1-) chebi_ontology BrO3(-) Bromat [BrO3](-) CHEBI:29223 bromate CAS:15541-45-4 ChemIDplus Gmelin:1888 Gmelin bromate IUPAC trioxidobromate(1-) IUPAC BrO3(-) IUPAC Bromat ChEBI [BrO3](-) ChEBI A diatomic molecule containing covalently bonded hydrogen and fluorine atoms. 0 FH InChI=1S/FH/h1H KRHYYFGTRYWZRS-UHFFFAOYSA-N 20.00634 20.00623 F[H] CAS:7664-39-3 Drug_Central:4499 Gmelin:166 KEGG:C16487 Hydrogen fluoride fluorane fluoridohydrogen hydrogen fluoride chebi_ontology Fluoride Fluorwasserstoff HF Hydrogenfluorid [HF] fluorure d'hydrogene hydrofluoric acid CHEBI:29228 hydrogen fluoride CAS:7664-39-3 ChemIDplus CAS:7664-39-3 KEGG COMPOUND CAS:7664-39-3 NIST Chemistry WebBook Drug_Central:4499 DrugCentral Gmelin:166 Gmelin Hydrogen fluoride KEGG_COMPOUND fluorane IUPAC fluoridohydrogen IUPAC hydrogen fluoride IUPAC Fluoride KEGG_COMPOUND Fluorwasserstoff ChEBI HF IUPAC Hydrogenfluorid ChEBI [HF] IUPAC fluorure d'hydrogene ChEBI hydrofluoric acid ChemIDplus An arsenite ion resulting from the removal of a proton from one of the hydroxy groups of arsenous acid. -1 AsH2O3 InChI=1S/AsH2O3/c2-1(3)4/h2-3H/q-1 AQLMHYSWFMLWBS-UHFFFAOYSA-N 124.93568 124.92254 O[As](O)[O-] dihydroxidooxidoarsenate(1-) chebi_ontology H2AsO3(-) [AsO(OH)2](-) arsenite dihydrogen arsenite CHEBI:29242 arsenite(1-) dihydroxidooxidoarsenate(1-) IUPAC H2AsO3(-) ChEBI [AsO(OH)2](-) IUPAC arsenite UniProt dihydrogen arsenite IUPAC An arsenite ion resulting from the removal of a proton from two of the hydroxy groups of arsenous acid. -2 AsHO3 InChI=1S/AsHO3/c2-1(3)4/h2H/q-2 RJFGWSIMCQVVJS-UHFFFAOYSA-N 123.92774 123.91526 O[As]([O-])[O-] hydroxidodioxidoarsenate(2-) chebi_ontology HAsO3(2-) [AsO2(OH)](2-) hydrogen arsenite CHEBI:29243 arsenite(2-) hydroxidodioxidoarsenate(2-) IUPAC HAsO3(2-) ChEBI [AsO2(OH)](2-) IUPAC hydrogen arsenite IUPAC An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety. 0 HSR 33.07300 32.97990 S[*] CHEBI:13443 CHEBI:13696 CHEBI:17366 CHEBI:26969 CHEBI:8766 CHEBI:9556 KEGG:C00145 Wikipedia:Thiol Thiol thiols chebi_ontology Mercaptan Merkaptan RSH a thiol mercaptans thiols CHEBI:29256 thiol Thiol KEGG_COMPOUND thiols IUPAC Mercaptan KEGG_COMPOUND Merkaptan ChEBI RSH IUPAC a thiol UniProt mercaptans ChEBI thiols ChEBI A monovalent inorganic anion obtained by deprotonation of phosphorous acid. -1 H2O3P InChI=1S/H2O3P/c1-4(2)3/h1-2H/q-1 BLBIZNCSZLTDPW-UHFFFAOYSA-N 80.98784 80.97470 [H]OP([O-])O[H] Gmelin:558293 dihydrogen(trioxidophosphate)(1-) dihydrogenphosphite dihydroxidooxidophosphate(1-) chebi_ontology H2PO3(-) [PO(OH)2] (-) dihydrogen phosphite CHEBI:29258 dihydrogenphosphite Gmelin:558293 Gmelin dihydrogen(trioxidophosphate)(1-) IUPAC dihydrogenphosphite IUPAC dihydroxidooxidophosphate(1-) IUPAC H2PO3(-) IUPAC [PO(OH)2] (-) IUPAC dihydrogen phosphite ChEBI A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. -2 HO3P InChI=1S/HO3P/c1-4(2)3/h1H/q-2 GBHRVZIGDIUCJB-UHFFFAOYSA-N 79.97990 79.96743 [H]OP([O-])[O-] Gmelin:323302 hydrogen(trioxidophosphate)(2-) hydrogenphosphite hydroxidodioxidophosphate(2-) chebi_ontology HPO3(2-) [PO2(OH)](2-) hydrogen phosphite CHEBI:29259 hydrogenphosphite Gmelin:323302 Gmelin hydrogen(trioxidophosphate)(2-) IUPAC hydrogenphosphite IUPAC hydroxidodioxidophosphate(2-) IUPAC HPO3(2-) IUPAC [PO2(OH)](2-) IUPAC hydrogen phosphite IUPAC -2 N2 InChI=1S/N2/c1-2/q-2 BZZJUZUZJRQHLZ-UHFFFAOYSA-N 28.01348 28.00725 [N-]=[N-] Gmelin:1565041 diazenediide dinitride(2-) chebi_ontology N2(2-) CHEBI:29277 dinitride(2-) Gmelin:1565041 Gmelin diazenediide IUPAC dinitride(2-) IUPAC N2(2-) IUPAC -4 N2 InChI=1S/N2/c1-2/q-4 UXMOGIXOTMNDOH-UHFFFAOYSA-N 28.01348 28.00834 [N--][N--] diazanetetraide dinitride(4-) chebi_ontology N2(4-) CHEBI:29278 dinitride(4-) diazanetetraide IUPAC dinitride(4-) IUPAC N2(4-) IUPAC CHEBI:13810 CHEBI:22325 CHEBI:2583 chebi_ontology alkyl sulfates CHEBI:29281 alkyl sulfate alkyl sulfates ChEBI 0 Au InChI=1S/Au PCHJSUWPFVWCPO-UHFFFAOYSA-N 196.96655 196.96657 [Au] CAS:7440-57-5 WebElements:Au gold chebi_ontology 79Au Au Gold aurum gold or oro CHEBI:29287 gold atom CAS:7440-57-5 ChemIDplus gold IUPAC 79Au IUPAC Au IUPAC Gold ChEBI aurum IUPAC gold ChEBI or ChEBI oro ChEBI A sulfinyl halide in which both of the halide atoms are chorines. 0 Cl2OS InChI=1S/Cl2OS/c1-4(2)3 FYSNRJHAOHDILO-UHFFFAOYSA-N 118.97080 117.90469 ClS(Cl)=O Beilstein:1209273 CAS:7719-09-7 PMID:18052293 PMID:26388384 Wikipedia:Thionyl_chloride dichloridooxidosulfur sulfurous dichloride chebi_ontology SOCl2 Sulfinyl chloride Sulfinyl dichloride Sulfur chloride oxide Sulfur oxychloride Sulfurous oxychloride [SCl2O] sulfur dichloride oxide thionyl dichloride CHEBI:29290 thionyl chloride Beilstein:1209273 Beilstein CAS:7719-09-7 ChemIDplus CAS:7719-09-7 NIST Chemistry WebBook PMID:18052293 Europe PMC PMID:26388384 Europe PMC dichloridooxidosulfur IUPAC sulfurous dichloride IUPAC SOCl2 IUPAC Sulfinyl chloride ChemIDplus Sulfinyl dichloride NIST_Chemistry_WebBook Sulfur chloride oxide ChemIDplus Sulfur oxychloride ChemIDplus Sulfurous oxychloride ChemIDplus [SCl2O] IUPAC sulfur dichloride oxide IUPAC thionyl dichloride IUPAC A dinitrile that is ethane substituted by two cyano groups. 0 C2N2 InChI=1S/C2N2/c3-1-2-4 JMANVNJQNLATNU-UHFFFAOYSA-N 52.03488 52.00615 N#CC#N Beilstein:1732464 CAS:460-19-5 Gmelin:1090 PMID:24632070 Reaxys:1732464 Wikipedia:Oxalonitrile bis(nitridocarbon)(C--C) ethanedinitrile oxalonitrile chebi_ontology (CN)2 C2N2 NCCN carbon nitride cyanogen dicyan dicyanogen glycolonitrile oxalic nitrile CHEBI:29308 oxalonitrile Beilstein:1732464 Beilstein CAS:460-19-5 ChemIDplus CAS:460-19-5 NIST Chemistry WebBook Gmelin:1090 Gmelin PMID:24632070 Europe PMC Reaxys:1732464 Reaxys bis(nitridocarbon)(C--C) IUPAC ethanedinitrile IUPAC oxalonitrile IUPAC (CN)2 ChEBI C2N2 IUPAC NCCN IUPAC carbon nitride ChemIDplus cyanogen NIST_Chemistry_WebBook dicyan NIST_Chemistry_WebBook dicyanogen NIST_Chemistry_WebBook glycolonitrile ChEBI oxalic nitrile NIST_Chemistry_WebBook -1 HSe InChI=1S/H2Se/h1H2/p-1 SPVXKVOXSXTJOY-UHFFFAOYSA-M 79.96794 80.92490 [Se-][H] Gmelin:773467 hydrogen(selenide)(1-) selanide chebi_ontology HSe(-) hydrogenselenide CHEBI:29317 selanide Gmelin:773467 Gmelin hydrogen(selenide)(1-) IUPAC selanide IUPAC HSe(-) IUPAC hydrogenselenide UniProt An organic sodium salt that is the disodium salt of nitroprusside. 0 C5FeN6Na2O InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q;;;;;2*-1;2*+1 FPWUWQVZUNFZQM-UHFFFAOYSA-N 261.91788 261.92783 [Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N CAS:14402-89-2 PMID:25425768 sodium pentacyanidonitrosylferrate(2-) sodium pentacyanidonitrosylferrate(III) chebi_ontology Na2[Fe(CN)5(NO)] Sodium nitroprusside anhydrous disodium pentacyanidonitrosylferrate CHEBI:29321 sodium nitroprusside CAS:14402-89-2 ChemIDplus PMID:25425768 Europe PMC sodium pentacyanidonitrosylferrate(2-) IUPAC sodium pentacyanidonitrosylferrate(III) IUPAC Na2[Fe(CN)5(NO)] IUPAC Sodium nitroprusside anhydrous ChemIDplus disodium pentacyanidonitrosylferrate IUPAC -1 H2N InChI=1S/H2N/h1H2/q-1 HYGWNUKOUCZBND-UHFFFAOYSA-N 16.02262 16.01927 [H][N-][H] amide azanide dihydridonitrate(1-) chebi_ontology NH2(-) CHEBI:29337 azanide amide IUPAC azanide IUPAC dihydridonitrate(1-) IUPAC NH2(-) IUPAC A divalent inorganic anion resulting from the removal of two protons from ammonia. -2 HN InChI=1S/HN/h1H/q-2 DZQYTNGKSBCIOE-UHFFFAOYSA-N 15.01468 15.01200 [N--][H] azanediide hydridonitrate(2-) chebi_ontology NH(2-) imide CHEBI:29340 hydridonitrate(2-) azanediide IUPAC hydridonitrate(2-) IUPAC NH(2-) IUPAC imide IUPAC A carboxamide derived from a monocarboxylic acid. 0 CNOR3 42.01680 41.99799 [*]N([*])C([*])=O CHEBI:13211 CHEBI:22207 CHEBI:25383 CHEBI:6977 chebi_ontology monocarboxylic acid amides CHEBI:29347 monocarboxylic acid amide monocarboxylic acid amides ChEBI A monocarboxylic acid amide derived from a fatty acid. 0 CHNOR2 43.025 43.00581 CHEBI:13247 CHEBI:22310 CHEBI:22330 CHEBI:2572 CHEBI:35749 CHEBI:38838 KEGG:C02244 LIPID_MAPS_class:LMFA08 fatty amide chebi_ontology Aliphatic amide fatty amides CHEBI:29348 fatty amide LIPID_MAPS_class:LMFA08 LIPID MAPS fatty amide ChEBI Aliphatic amide KEGG_COMPOUND fatty amides LIPID_MAPS -2 CH2 InChI=1S/CH2/h1H2/q-2 PZPOWPOFQLSNJO-UHFFFAOYSA-N 14.02658 14.01675 [H][C--][H] Beilstein:5915711 Gmelin:322698 dihydridocarbonate(2-) methanediide chebi_ontology CH2(2-) [CH2](2-) CHEBI:29360 methanediide Beilstein:5915711 Beilstein Gmelin:322698 Gmelin dihydridocarbonate(2-) IUPAC methanediide IUPAC CH2(2-) IUPAC [CH2](2-) ChEBI An acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine. 0 CCl2O InChI=1S/CCl2O/c2-1(3)4 YGYAWVDWMABLBF-UHFFFAOYSA-N 98.91550 97.93262 ClC(Cl)=O CAS:75-44-5 PMID:21031186 PMID:21222562 PMID:21293301 PMID:21309662 Reaxys:1098367 carbonyl dichloride phosgene chebi_ontology COCl2 Carbon dichloride oxide Carbon oxychloride Carbone (oxychlorure de) Carbonic acid dichloride Carbonic chloride Carbonic dichloride Carbonyl chloride Carbonyl dichloride Carbonylchlorid Chloroformyl chloride Dichloroformaldehyde Fosgeen Fosgen Phosgen CHEBI:29365 phosgene CAS:75-44-5 ChemIDplus CAS:75-44-5 NIST Chemistry WebBook PMID:21031186 Europe PMC PMID:21222562 Europe PMC PMID:21293301 Europe PMC PMID:21309662 Europe PMC Reaxys:1098367 Reaxys carbonyl dichloride IUPAC phosgene IUPAC COCl2 IUPAC Carbon dichloride oxide ChemIDplus Carbon dichloride oxide NIST_Chemistry_WebBook Carbon oxychloride ChemIDplus Carbone (oxychlorure de) ChemIDplus Carbonic acid dichloride ChemIDplus Carbonic chloride ChemIDplus Carbonic dichloride ChemIDplus Carbonyl chloride ChemIDplus Carbonyl dichloride ChemIDplus Carbonylchlorid ChemIDplus Chloroformyl chloride ChemIDplus Dichloroformaldehyde NIST_Chemistry_WebBook Fosgeen ChemIDplus Fosgen ChemIDplus Phosgen ChemIDplus 0 O2 31.99880 31.98983 O(O*)* peroxy chebi_ontology -OO- CHEBI:29369 peroxy group peroxy IUPAC -OO- IUPAC sodium carbonate http://langual.org Codex::500(i) Europe::500 http://www.langual.org/langual_thesaurus.asp?termid=B3247 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, anticaking agent, raising agent. sodium carbonate The simplest silane, consisting of a single silicon atom carrying four hydrogens. 0 H4Si InChI=1S/H4Si/h1H4 BLRPTPMANUNPDV-UHFFFAOYSA-N 32.11726 32.00823 [H][Si]([H])([H])[H] CAS:7803-62-5 Gmelin:273 MolBase:1651 PMID:21405634 Reaxys:4173736 Wikipedia:Silane silane silicon tetrahydride tetrahydridosilicon chebi_ontology SiH4 Silicane Silicon hydride [SiH4] monosilane CHEBI:29389 silane CAS:7803-62-5 ChemIDplus CAS:7803-62-5 NIST Chemistry WebBook Gmelin:273 Gmelin PMID:21405634 Europe PMC Reaxys:4173736 Reaxys silane IUPAC silicon tetrahydride IUPAC tetrahydridosilicon IUPAC SiH4 IUPAC Silicane ChemIDplus Silicon hydride NIST_Chemistry_WebBook [SiH4] MolBase monosilane NIST_Chemistry_WebBook 0 CSi InChI=1S/CSi/c1-2 HBMJWWWQQXIZIP-UHFFFAOYSA-N 40.09620 39.97693 [C-]#[Si+] CAS:409-21-2 Gmelin:13642 carbidosilicon silicon carbide chebi_ontology SiC Siliciumcarbid Siliziumkarbid [SiC] carborundum silicon monocarbide silicon(IV) carbide CHEBI:29390 silicon carbide CAS:409-21-2 ChemIDplus CAS:409-21-2 NIST Chemistry WebBook Gmelin:13642 Gmelin carbidosilicon IUPAC silicon carbide IUPAC SiC IUPAC Siliciumcarbid ChEBI Siliziumkarbid ChEBI [SiC] IUPAC carborundum NIST_Chemistry_WebBook silicon monocarbide NIST_Chemistry_WebBook silicon(IV) carbide NIST_Chemistry_WebBook +1 H3O InChI=1S/H2O/h1H2/p+1 XLYOFNOQVPJJNP-UHFFFAOYSA-O 19.02322 19.01784 [H][O+]([H])[H] CAS:13968-08-6 Gmelin:141 MolBase:1646 aquahydrogen(1+) oxidanium oxonium trihydridooxygen(1+) chebi_ontology H3O(+) Hydronium cation Hydronium ion [OH3](+) CHEBI:29412 oxonium CAS:13968-08-6 ChemIDplus CAS:13968-08-6 NIST Chemistry WebBook CAS:13968-08-6 ChemIDplus CAS:13968-08-6 NIST Chemistry WebBook Gmelin:141 Gmelin Gmelin:141 Gmelin aquahydrogen(1+) IUPAC oxidanium IUPAC oxonium IUPAC trihydridooxygen(1+) IUPAC H3O(+) IUPAC Hydronium cation NIST_Chemistry_WebBook Hydronium ion ChemIDplus [OH3](+) MolBase 0 ClO2 InChI=1S/ClO2/c2-1-3 OSVXSBDYLRYLIG-UHFFFAOYSA-N 67.45200 66.95868 O=[Cl]=O CAS:10049-04-4 Gmelin:1265 KEGG:C18368 dioxido-lambda(5)-chloranyl dioxidochlorine(.) chebi_ontology (OClO)(.) Chlorine peroxide O2Cl(.) [ClO2](.) chlorine dioxide CHEBI:29415 dioxidochlorine(.) CAS:10049-04-4 KEGG COMPOUND CAS:10049-04-4 NIST Chemistry WebBook Gmelin:1265 Gmelin dioxido-lambda(5)-chloranyl IUPAC dioxidochlorine(.) IUPAC (OClO)(.) ChEBI Chlorine peroxide KEGG_COMPOUND O2Cl(.) ChEBI [ClO2](.) ChEBI chlorine dioxide NIST_Chemistry_WebBook -1 CH3 InChI=1S/CH3/h1H3/q-1 LGRLWUINFJPLSH-UHFFFAOYSA-N 15.03452 15.02402 [H][C-]([H])[H] Beilstein:1813938 CAS:15194-58-8 Gmelin:259263 methanide trihydridocarbonate(1-) chebi_ontology CH3(-) [CH3](-) lambda(2)-methanuide methyl anion CHEBI:29438 methanide Beilstein:1813938 Beilstein CAS:15194-58-8 NIST Chemistry WebBook Gmelin:259263 Gmelin methanide IUPAC trihydridocarbonate(1-) IUPAC CH3(-) IUPAC [CH3](-) ChEBI lambda(2)-methanuide IUPAC methyl anion IUPAC 0 HN3 InChI=1S/HN3/c1-3-2/h1H JUINSXZKUKVTMD-UHFFFAOYSA-N 43.02816 43.01705 N=[N+]=[N-] CAS:7782-79-8 Gmelin:773 hydrido-1kappaH-trinitrogen(2N--N) hydrogen azide hydrogen trinitride(1-) chebi_ontology N3H [NNNH] hydrazoic acid triazoic acid CHEBI:29449 hydrogen azide CAS:7782-79-8 ChemIDplus CAS:7782-79-8 NIST Chemistry WebBook Gmelin:773 Gmelin hydrido-1kappaH-trinitrogen(2N--N) IUPAC hydrogen azide IUPAC hydrogen trinitride(1-) IUPAC N3H IUPAC [NNNH] IUPAC hydrazoic acid NIST_Chemistry_WebBook triazoic acid NIST_Chemistry_WebBook A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3. 0 C10H12N3O3PS2 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N 317.32646 317.00577 COP(=S)(OC)SCn1nnc2ccccc2c1=O Beilstein:280476 CAS:86-50-0 KEGG:C11018 LINCS:LSM-20980 PMID:17097717 PMID:24177216 PPDB:51 Reaxys:280476 Wikipedia:Azinphos-methyl O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate chebi_ontology 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate Azinphos methyl Azinphosmethyl Guthion O,O-Dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate Phosphorodithioic acid, O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester CHEBI:2953 azinphos-methyl Beilstein:280476 Beilstein CAS:86-50-0 ChemIDplus CAS:86-50-0 KEGG COMPOUND CAS:86-50-0 NIST Chemistry WebBook PMID:17097717 Europe PMC PMID:24177216 Europe PMC Reaxys:280476 Reaxys O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate IUPAC 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate ChemIDplus Azinphos methyl KEGG_COMPOUND Azinphosmethyl ChemIDplus Guthion ChemIDplus O,O-Dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate ChemIDplus O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate IUPAC Phosphorodithioic acid, O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester ChemIDplus 0 C48H72O14 InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 RRZXIRBKKLTSOM-XPNPUAGNSA-N 873.07690 872.49221 CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C BPDB:8 Beilstein:3645625 CAS:65195-55-3 KEGG:C11983 LIPID_MAPS_instance:LMPK04000024 MetaCyc:CPD-12963 VSDB:8 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside Avermectin B1a chebi_ontology abamectin component B1a CHEBI:29534 avermectin B1a Beilstein:3645625 Beilstein CAS:65195-55-3 ChemIDplus CAS:65195-55-3 KEGG COMPOUND LIPID_MAPS_instance:LMPK04000024 LIPID MAPS (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside IUPAC Avermectin B1a KEGG_COMPOUND abamectin component B1a ChemIDplus 0 C47H70O14 InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1 ZFUKERYTFURFGA-PVVXTEPVSA-N 859.05030 858.47656 [H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O Beilstein:8399072 CAS:65195-56-4 KEGG:C11967 LIPID_MAPS_instance:LMPK04000020 MetaCyc:CPD-12964 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside Avermectin B1b chebi_ontology (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside abamectin component B1b CHEBI:29537 avermectin B1b Beilstein:8399072 Beilstein CAS:65195-56-4 ChemIDplus CAS:65195-56-4 KEGG COMPOUND LIPID_MAPS_instance:LMPK04000020 LIPID MAPS (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside IUPAC Avermectin B1b KEGG_COMPOUND (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside IUPAC abamectin component B1b ChemIDplus A macrolide antibiotic useful for the treatment of bacterial infections. 0 C38H72N2O12 InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-N 748.98450 748.50853 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O CHEBI:46596 Beilstein:5387583 CAS:83905-01-5 DrugBank:DB00207 Drug_Central:276 HMDB:HMDB0014352 KEGG:C06838 KEGG:D07486 LINCS:LSM-5821 PDBeChem:ZIT PMID:15143799 PMID:18253999 Patent:BE892357 Patent:US4517359 Reaxys:5387583 Reaxys:8820027 Wikipedia:Azithromycin (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside chebi_ontology (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one Azenil Azifast Azigram Azimakrol Azitromin Hemomycin Zithromax Zmax azithromycine azithromycinum azitromicina CHEBI:2955 azithromycin Beilstein:5387583 Beilstein CAS:83905-01-5 ChemIDplus Drug_Central:276 DrugCentral PMID:15143799 Europe PMC PMID:18253999 Europe PMC Reaxys:5387583 Reaxys Reaxys:8820027 Reaxys (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside IUPAC (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one ChemIDplus Azenil DrugBank Azifast ChEBI Azigram ChEBI Azimakrol ChEBI Azitromin ChEBI Hemomycin DrugBank Zithromax DrugBank Zmax DrugBank azithromycine ChemIDplus azithromycinum ChemIDplus azitromicina WHO_MedNet A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops. 0 C18H19NO4 InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+ ZOTBXTZVPHCKPN-HTXNQAPBSA-N 313.34780 313.13141 CO\N=C(\C(=O)OC)c1ccccc1COc1ccccc1C CAS:143390-89-0 KEGG:C11017 PMID:23197469 PMID:23277369 PMID:23452212 PMID:24061350 PMID:24210350 PMID:24611510 PMID:24936710 PMID:24997920 PPDB:414 Pesticides:kresoxim-methyl Reaxys:8330581 methyl (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetate chebi_ontology BAS 490 F Methyl (E)-alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)benzeneacetate methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate CHEBI:2962 kresoxim-methyl CAS:143390-89-0 ChemIDplus CAS:143390-89-0 KEGG COMPOUND CAS:143390-89-0 NIST Chemistry WebBook PMID:23197469 Europe PMC PMID:23277369 Europe PMC PMID:23452212 Europe PMC PMID:24061350 Europe PMC PMID:24210350 Europe PMC PMID:24611510 Europe PMC PMID:24936710 Europe PMC PMID:24997920 Europe PMC Pesticides:kresoxim-methyl Alan Wood's Pesticides Reaxys:8330581 Reaxys methyl (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetate IUPAC BAS 490 F KEGG_COMPOUND Methyl (E)-alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)benzeneacetate ChemIDplus methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate Alan_Wood's_Pesticides methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate NIST_Chemistry_WebBook An inoganic sodium salt with formula with formula NaAsO2. 0 AsNaO2 InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1 PTLRDCMBXHILCL-UHFFFAOYSA-M 129.91020 129.90119 [Na+].[O-][As]=O CAS:7784-46-5 KEGG:C11906 MetaCyc:CPD0-1496 PMID:17070520 PMID:19131511 PMID:20423156 PMID:20598115 PMID:23194016 PMID:23694735 PMID:24004876 PMID:24100277 PMID:24519527 PMID:9580875 PMID:9649501 PPDB:2877 Reaxys:14201303 Reaxys:16472677 Wikipedia:Sodium_arsenite Sodium arsenite catena-poly[(oxidoarsenate-mu-oxido)]sodium chebi_ontology (NaAsO2)n Na(+)n-(-As(O(-))O-)-n NaAsO2 Sodium dioxoarsenate sodium meta-arsenite sodium metaarsenite CHEBI:29678 sodium arsenite CAS:7784-46-5 ChemIDplus CAS:7784-46-5 KEGG COMPOUND PMID:17070520 Europe PMC PMID:19131511 Europe PMC PMID:20423156 Europe PMC PMID:20598115 Europe PMC PMID:23194016 Europe PMC PMID:23694735 Europe PMC PMID:24004876 Europe PMC PMID:24100277 Europe PMC PMID:24519527 Europe PMC PMID:9580875 Europe PMC PMID:9649501 Europe PMC Reaxys:14201303 Reaxys Reaxys:16472677 Reaxys Sodium arsenite KEGG_COMPOUND catena-poly[(oxidoarsenate-mu-oxido)]sodium IUPAC (NaAsO2)n ChEBI Na(+)n-(-As(O(-))O-)-n ChEBI NaAsO2 ChEBI Sodium dioxoarsenate KEGG_COMPOUND sodium meta-arsenite ChEBI sodium metaarsenite ChemIDplus A mixture of antiviral nucleoside antibiotics produced by Streptomyces lysosuperificus. It contains at least 10 homologues comprising uracil, N-acetylglucosamine, an 11-carbon aminodialdose called tunicamine, and a fatty acid linked to the amino group of the tunicamine. The homologues vary in the composition of the fatty acid moiety. 0 C25H38N4O16 650.587 650.22828 [H][C@@](O)(C[C@H]1O[C@@H](OC2O[C@H]([*]O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC([*])=O)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CAS:11089-65-9 KEGG:C12063 PMID:11478581 PMID:11514096 PMID:11732194 PMID:11798249 PMID:12093793 PMID:12106388 PMID:12136966 PMID:12232600 PMID:12232799 PMID:12515321 PMID:160437 PMID:1624425 PMID:3018444 PMID:315774 PMID:34700340 PMID:34979291 PMID:35233582 PMID:35370192 PMID:4624615 PMID:4630978 PMID:5103138 PMID:5103535 PMID:5168706 PMID:6153524 PMID:6813319 PMID:6975776 PMID:6992777 PMID:701277 PMID:7142115 PMID:7144800 PMID:7766032 Wikipedia:Tunicamycin Tunicamycin chebi_ontology CHEBI:29699 tunicamycin CAS:11089-65-9 ChemIDplus CAS:11089-65-9 KEGG COMPOUND PMID:11478581 Europe PMC PMID:11514096 Europe PMC PMID:11732194 Europe PMC PMID:11798249 Europe PMC PMID:12093793 Europe PMC PMID:12106388 Europe PMC PMID:12136966 Europe PMC PMID:12232600 Europe PMC PMID:12232799 Europe PMC PMID:12515321 Europe PMC PMID:160437 Europe PMC PMID:1624425 Europe PMC PMID:3018444 Europe PMC PMID:315774 Europe PMC PMID:34700340 Europe PMC PMID:34979291 Europe PMC PMID:35233582 Europe PMC PMID:35370192 Europe PMC PMID:4624615 Europe PMC PMID:4630978 Europe PMC PMID:5103138 Europe PMC PMID:5103535 Europe PMC PMID:5168706 Europe PMC PMID:6153524 Europe PMC PMID:6813319 Europe PMC PMID:6975776 Europe PMC PMID:6992777 Europe PMC PMID:701277 Europe PMC PMID:7142115 Europe PMC PMID:7144800 Europe PMC PMID:7766032 Europe PMC Tunicamycin KEGG_COMPOUND A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone. 0 C23H38O5 InChI=1S/C23H38O5/c1-7-18-12-15(4)19(24)10-9-14(3)11-16(5)21(8-2)28-22(26)13-20(25)17(6)23(18)27/h9-11,15-18,20-21,23,25,27H,7-8,12-13H2,1-6H3/b10-9+,14-11+/t15-,16+,17+,18+,20-,21-,23-/m1/s1 YJSXTLYNFBFHAT-HJOMEYPASA-N 394.54480 394.27192 CC[C@H]1C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O CHEBI:76805 CAS:74758-60-4 KEGG:C12000 MetaCyc:CPD-15948 PMID:3733529 PMID:6511663 PMID:6735923 PMID:6833128 PMID:7118724 Reaxys:5765520 (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione Tylactone tylactone chebi_ontology 20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide 20-Dsdr 20-deoxo-23-deoxytylonolide Protylonolide CHEBI:29700 tylactone CAS:74758-60-4 ChemIDplus CAS:74758-60-4 KEGG COMPOUND MetaCyc:CPD-15948 SUBMITTER PMID:3733529 Europe PMC PMID:6511663 Europe PMC PMID:6735923 Europe PMC PMID:6833128 Europe PMC PMID:7118724 Europe PMC Reaxys:5765520 Reaxys (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione IUPAC Tylactone KEGG_COMPOUND tylactone UniProt 20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide ChemIDplus 20-Dsdr ChemIDplus 20-deoxo-23-deoxytylonolide ChemIDplus Protylonolide KEGG_COMPOUND A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. -1 C10H9O4 InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-M 193.17606 193.05063 COc1cc(\C=C\C([O-])=O)ccc1O CHEBI:11848 CHEBI:14259 CHEBI:24029 MetaCyc:FERULIC-ACID (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate chebi_ontology (E)-ferulate 3-methoxy-4-hydroxy-trans-cinnamate CHEBI:29749 ferulate (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate IUPAC (E)-ferulate UniProt 3-methoxy-4-hydroxy-trans-cinnamate ChEBI -2 HAsO3 InChI=1S/AsH3O3/c2-1(3)4/h1H,(H2,2,3,4)/p-2 BUSBFZWLPXDYIC-UHFFFAOYSA-L 123.92774 123.91526 [H][As]([O-])([O-])=O arsonate hydridotrioxidoarsenate(2-) chebi_ontology [AsHO3](2-) CHEBI:29754 arsonate(2-) arsonate IUPAC hydridotrioxidoarsenate(2-) IUPAC [AsHO3](2-) IUPAC -1 AsH2 InChI=1S/AsH2/h1H2/q-1 DRQOYSLXOZXEBV-UHFFFAOYSA-N 76.93748 76.93779 [H][As-][H] Gmelin:217243 arsanide dihydridoarsenate(1-) chebi_ontology [AsH2](-) CHEBI:29755 arsanide Gmelin:217243 Gmelin arsanide IUPAC dihydridoarsenate(1-) IUPAC [AsH2](-) IUPAC 0 NO2 46.00550 45.99290 *[N+](=O)[O-] nitro chebi_ontology -NO2 CHEBI:29785 nitro group nitro IUPAC -NO2 IUPAC 0 HO2 33.00674 32.99765 O(O[H])* dioxidanyl hydroperoxy chebi_ontology -OOH CHEBI:29792 hydroperoxy group dioxidanyl IUPAC hydroperoxy IUPAC -OOH IUPAC +1 HO2 InChI=1S/O2/c1-2/p+1 MYMOFIZGZYHOMD-UHFFFAOYSA-O 33.00674 32.99711 [H][O+]=O Gmelin:508 dioxidenium hydridodioxygen(1+) chebi_ontology HO2(+) HOO(+) [HO2](+) CHEBI:29793 hydridodioxygen(1+) Gmelin:508 Gmelin dioxidenium IUPAC hydridodioxygen(1+) IUPAC HO2(+) IUPAC HOO(+) ChEBI [HO2](+) ChEBI A hydroxy monocarboxylic acid anion that is acetate where the methyl group has been hydroxylated. -1 C2H3O3 InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/p-1 AEMRFAOFKBGASW-UHFFFAOYSA-M 75.04342 75.00877 OCC([O-])=O CHEBI:14348 CHEBI:24388 CAS:666-14-8 DrugBank:DB03085 KEGG:C00160 MetaCyc:GLYCOLLATE PMID:17190852 PMID:22093610 PMID:22207577 PMID:22268146 PMID:22327578 PMID:22394389 PMID:22446032 Reaxys:3903689 UM-BBD_compID:c0008 glycolate hydroxyacetate chebi_ontology CHEBI:29805 glycolate CAS:666-14-8 Reaxys PMID:17190852 Europe PMC PMID:22093610 Europe PMC PMID:22207577 Europe PMC PMID:22268146 Europe PMC PMID:22327578 Europe PMC PMID:22394389 Europe PMC PMID:22446032 Europe PMC Reaxys:3903689 Reaxys UM-BBD_compID:c0008 UM-BBD glycolate UniProt hydroxyacetate IUPAC 0 OS 48.06540 47.96699 O=S(*)* oxo-lambda(4)-sulfanediyl sulfinyl chebi_ontology >SO thionyl CHEBI:29822 sulfinyl group oxo-lambda(4)-sulfanediyl IUPAC sulfinyl IUPAC >SO IUPAC thionyl IUPAC 0 H3AsO2 InChI=1S/AsH3O2/c2-1-3/h1H2,(H,2,3) VJWWIRSVNSXUAC-UHFFFAOYSA-N 109.94422 109.93490 [H]O[As]([H])([H])=O arsinic acid dihydridohydroxidooxidoarsenic chebi_ontology HAsH2O2 [AsH2O(OH)] CHEBI:29840 arsinic acid arsinic acid IUPAC dihydridohydroxidooxidoarsenic IUPAC HAsH2O2 IUPAC [AsH2O(OH)] IUPAC -1 AsH2O2 InChI=1S/AsH3O2/c2-1-3/h1H2,(H,2,3)/p-1 VJWWIRSVNSXUAC-UHFFFAOYSA-M 108.93628 108.92762 [H][As]([H])([O-])=O arsinate dihydridodioxidoarsenate(1-) chebi_ontology AsH2O2(-) [AsH2(O)2](-) CHEBI:29846 arsinate arsinate IUPAC dihydridodioxidoarsenate(1-) IUPAC AsH2O2(-) IUPAC [AsH2(O)2](-) ChEBI 0 AsH3O3 InChI=1S/AsH3O3/c2-1(3)4/h1H,(H2,2,3,4) BUSBFZWLPXDYIC-UHFFFAOYSA-N 125.94362 125.92981 [H][As](O)(O)=O Gmelin:2037439 arsonic acid hydridodihydroxidooxidoarsenic chebi_ontology H2AsHO3 [AsHO(OH)2] CHEBI:29850 arsonic acid Gmelin:2037439 Gmelin arsonic acid IUPAC hydridodihydroxidooxidoarsenic IUPAC H2AsHO3 IUPAC [AsHO(OH)2] IUPAC 0 CH5AsO3 InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5) QYPPRTNMGCREIM-UHFFFAOYSA-N 139.97020 139.94546 C[As](O)(O)=O CHEBI:25221 CHEBI:6865 Beilstein:1739373 CAS:124-58-3 Gmelin:1316748 KEGG:C07294 PPDB:1575 Methylarsonic acid methylarsonic acid chebi_ontology MAA MeAsO(OH)2 methanearsonic acid monomethylarsonic acid CHEBI:29852 methylarsonic acid Beilstein:1739373 ChemIDplus CAS:124-58-3 ChemIDplus CAS:124-58-3 KEGG COMPOUND Gmelin:1316748 Gmelin Methylarsonic acid KEGG_COMPOUND methylarsonic acid IUPAC MAA KEGG_COMPOUND MeAsO(OH)2 IUPAC methanearsonic acid ChemIDplus monomethylarsonic acid ChemIDplus A hexitol produced by a variety of organisms including bacteria, fungi, lichens and plants. mannitol http://langual.org 0 C6H14O6 182.172 182.07904 CHEBI:14574 CHEBI:25163 Codex::421 Europe::421 PMID:24269997 PMID:24323504 PMID:24374122 PMID:24861101 Wikipedia:Mannitol http://www.langual.org/langual_thesaurus.asp?termid=B3148 mannitol chebi_ontology CHEBI:29864 LanguaL term definition: Food additive; technological purpose(s): anticaking agent, bulking agent, humectant, stabilizer, sweetener. mannitol mannitol An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. 0 C20H12 InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H FMMWHPNWAFZXNH-UHFFFAOYSA-N 252.30928 252.09390 c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 CHEBI:22716 CHEBI:3045 Beilstein:1911333 CAS:50-32-8 Gmelin:262573 KEGG:C07535 LINCS:LSM-2198 PMID:11932001 PMID:16256111 PMID:16381670 PMID:1844333 PMID:26530167 PMID:26703252 PMID:7561049 PMID:7721048 Reaxys:1911333 Wikipedia:Benzo(a)pyrene Benzo[a]pyrene benzo[pqr]tetraphene chebi_ontology (B(a)P) 3,4-BP 3,4-Benzopyrene 3,4-Benzpyrene BP Benzo(a)pyrene Benzpyrene benzo[def]chrysene CHEBI:29865 benzo[a]pyrene Beilstein:1911333 Beilstein CAS:50-32-8 ChemIDplus CAS:50-32-8 KEGG COMPOUND CAS:50-32-8 NIST Chemistry WebBook Gmelin:262573 Gmelin PMID:11932001 Europe PMC PMID:16256111 Europe PMC PMID:16381670 Europe PMC PMID:1844333 Europe PMC PMID:26530167 Europe PMC PMID:26703252 Europe PMC PMID:7561049 Europe PMC PMID:7721048 Europe PMC Reaxys:1911333 Reaxys Benzo[a]pyrene KEGG_COMPOUND benzo[pqr]tetraphene IUPAC (B(a)P) ChEBI 3,4-BP NIST_Chemistry_WebBook 3,4-Benzopyrene NIST_Chemistry_WebBook 3,4-Benzpyrene NIST_Chemistry_WebBook BP NIST_Chemistry_WebBook Benzo(a)pyrene ChemIDplus Benzpyrene KEGG_COMPOUND benzo[def]chrysene ChEBI An arsenite ion resulting from the removal of all three protons from the hydroxy groups of arsenous acid. -3 AsO3 InChI=1S/AsO3/c2-1(3)4/q-3 OWTFKEBRIAXSMO-UHFFFAOYSA-N 122.91980 122.90798 [O-][As]([O-])[O-] CHEBI:13857 CHEBI:2846 CAS:15502-74-6 Gmelin:25868 KEGG:C06697 PDBeChem:AST arsenite arsorite trioxidoarsenate(3-) trioxoarsenate(3-) trioxoarsenate(III) chebi_ontology ARSENITE Arsenite AsO3(3-) [AsO3](3-) CHEBI:29866 arsenite(3-) CAS:15502-74-6 ChemIDplus CAS:15502-74-6 KEGG COMPOUND Gmelin:25868 Gmelin arsenite IUPAC arsorite IUPAC trioxidoarsenate(3-) IUPAC trioxoarsenate(3-) IUPAC trioxoarsenate(III) IUPAC ARSENITE PDBeChem Arsenite KEGG_COMPOUND AsO3(3-) IUPAC [AsO3](3-) IUPAC An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. 0 H4O7P2 InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6) XPPKVPWEQAFLFU-UHFFFAOYSA-N 177.97508 177.94323 OP(O)(=O)OP(O)(O)=O CHEBI:45067 CHEBI:8683 CAS:2466-09-3 DrugBank:DB04160 ECMDB:ECMDB04142 Gmelin:82619 KEGG:C00013 KNApSAcK:C00019561 PDBeChem:PPV PMID:6291941 Reaxys:3942075 1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catena Diphosphoric acid diphosphoric acid mu-oxido-bis(dihydroxidooxidophosphorus) chebi_ontology Diphosphorsaeure H4P2O7 PYROPHOSPHATE Pyrophosphate Pyrophosphoric acid Pyrophosphorsaeure [(HO)2P(O)OP(O)(OH)2] acide diphosphorique CHEBI:29888 diphosphoric acid CAS:2466-09-3 ChemIDplus CAS:2466-09-3 KEGG COMPOUND CAS:2466-09-3 NIST Chemistry WebBook Gmelin:82619 Gmelin PMID:6291941 Europe PMC Reaxys:3942075 Reaxys 1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catena IUPAC Diphosphoric acid KEGG_COMPOUND diphosphoric acid IUPAC mu-oxido-bis(dihydroxidooxidophosphorus) IUPAC Diphosphorsaeure ChEBI H4P2O7 IUPAC PYROPHOSPHATE PDBeChem Pyrophosphate KEGG_COMPOUND Pyrophosphoric acid KEGG_COMPOUND Pyrophosphorsaeure ChEBI [(HO)2P(O)OP(O)(OH)2] IUPAC acide diphosphorique ChEBI 0 HS 33.074 32.97990 *S[H] CHEBI:26821 CHEBI:29916 sulfanyl thiol thiol group chebi_ontology -SH HS- Mercaptogruppe Merkaptogruppe Sulfhydrylgruppe Thiolgruppe mercapto group sulfhydryl group sulphydryl group CHEBI:29917 thiol group sulfanyl IUPAC thiol IUPAC thiol group UniProt -SH IUPAC HS- IUPAC Mercaptogruppe ChEBI Merkaptogruppe ChEBI Sulfhydrylgruppe ChEBI Thiolgruppe ChEBI mercapto group ChEBI sulfhydryl group ChEBI sulphydryl group ChEBI -1 HS InChI=1S/H2S/h1H2/p-1 RWSOTUBLDIXVET-UHFFFAOYSA-M 33.07394 32.98044 [S-][H] CAS:15035-72-0 Gmelin:24766 hydrogen(sulfide)(1-) hydrosulfide sulfanide chebi_ontology HS anion HS(-) hydrogen sulfide CHEBI:29919 hydrosulfide CAS:15035-72-0 ChemIDplus CAS:15035-72-0 NIST Chemistry WebBook Gmelin:24766 Gmelin hydrogen(sulfide)(1-) IUPAC hydrosulfide IUPAC sulfanide IUPAC HS anion NIST_Chemistry_WebBook HS(-) IUPAC hydrogen sulfide UniProt 0 HO3S 81.07214 80.96464 S(=O)(O)(*)=O PDBeChem:SFO SULFO GROUP hydroxydioxo-lambda(6)-sulfanyl hydroxysulfonyl sulfo chebi_ontology -S(O)2(OH) CHEBI:29922 sulfo group SULFO GROUP PDBeChem hydroxydioxo-lambda(6)-sulfanyl IUPAC hydroxysulfonyl IUPAC sulfo IUPAC -S(O)2(OH) IUPAC -1 H2P InChI=1S/H2P/h1H2/q-1 JZWFHNVJSWEXLH-UHFFFAOYSA-N 32.98964 32.98996 [H][P-][H] Gmelin:284 dihydridophosphate(1-) phosphanide chebi_ontology PH2(-) [PH2](-) phosphino anion CHEBI:29938 phosphanide Gmelin:284 Gmelin dihydridophosphate(1-) IUPAC phosphanide IUPAC PH2(-) IUPAC [PH2](-) ChEBI phosphino anion NIST_Chemistry_WebBook An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group -1 C5H8NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-M 146.12136 146.04588 [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHEBI:13107 CHEBI:21301 CAS:11070-68-1 Gmelin:936654 MetaCyc:GLT L-glutamate(1-) hydrogen L-glutamate chebi_ontology (2S)-2-ammoniopentanedioate L-glutamate L-glutamic acid monoanion L-glutamic acid, ion(1-) CHEBI:29985 L-glutamate(1-) CAS:11070-68-1 ChemIDplus Gmelin:936654 Gmelin L-glutamate(1-) JCBN hydrogen L-glutamate IUPAC (2S)-2-ammoniopentanedioate IUPAC L-glutamate ChEBI L-glutamate UniProt L-glutamic acid monoanion JCBN L-glutamic acid, ion(1-) ChemIDplus An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group -1 C5H8NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m1/s1 WHUUTDBJXJRKMK-GSVOUGTGSA-M 146.12136 146.04588 [NH3+][C@H](CCC([O-])=O)C([O-])=O CHEBI:12979 CHEBI:21022 Beilstein:8319427 MetaCyc:D-GLT D-glutamate(1-) hydrogen D-glutamate chebi_ontology (2R)-2-ammoniopentanedioate D-glutamate D-glutamic acid monoanion CHEBI:29986 D-glutamate(1-) Beilstein:8319427 Beilstein D-glutamate(1-) JCBN hydrogen D-glutamate IUPAC (2R)-2-ammoniopentanedioate IUPAC D-glutamate UniProt D-glutamic acid monoanion JCBN A dicarboxylic acid dianion that is the conjugate base of glutamate(1-). -2 C5H7NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2 WHUUTDBJXJRKMK-UHFFFAOYSA-L 145.11342 145.03860 NC(CCC([O-])=O)C([O-])=O Beilstein:4134100 Gmelin:327903 Reaxys:4134100 2-aminopentanedioate glutamate glutamate(2-) chebi_ontology glutamic acid dianion CHEBI:29987 glutamate(2-) Beilstein:4134100 Beilstein Gmelin:327903 Gmelin Reaxys:4134100 Reaxys 2-aminopentanedioate IUPAC glutamate IUPAC glutamate(2-) JCBN glutamic acid dianion JCBN An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid. -2 C5H7NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-L 145.11342 145.03860 N[C@@H](CCC([O-])=O)C([O-])=O Gmelin:327905 (2S)-2-aminopentanedioate L-glutamate L-glutamate(2-) chebi_ontology L-glutamic acid dianion CHEBI:29988 L-glutamate(2-) Gmelin:327905 Gmelin (2S)-2-aminopentanedioate IUPAC L-glutamate IUPAC L-glutamate(2-) JCBN L-glutamic acid dianion JCBN -2 C5H7NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1 WHUUTDBJXJRKMK-GSVOUGTGSA-L 145.11342 145.03860 N[C@H](CCC([O-])=O)C([O-])=O Beilstein:8143000 Gmelin:327904 (2R)-2-aminopentanedioate D-glutamate D-glutamate(2-) chebi_ontology D-glutamic acid dianion CHEBI:29989 D-glutamate(2-) Beilstein:8143000 Beilstein Gmelin:327904 Gmelin (2R)-2-aminopentanedioate IUPAC D-glutamate IUPAC D-glutamate(2-) JCBN D-glutamic acid dianion JCBN 0 O5V2 InChI=1S/5O.2V GNTDGMZSJNCJKK-UHFFFAOYSA-N 181.88000 181.86249 O=[V](=O)O[V](=O)=O CAS:1314-62-1 Gmelin:82259 KEGG:C19308 divanadium pentaoxide chebi_ontology V2O5 vanadium(V) oxide CHEBI:30045 divanadium pentaoxide CAS:1314-62-1 KEGG COMPOUND CAS:1314-62-1 NIST Chemistry WebBook Gmelin:82259 Gmelin divanadium pentaoxide IUPAC V2O5 IUPAC vanadium(V) oxide IUPAC Bacterial polysaccharide derivatives of glycerol phosphate or ribitol phosphate linked via phosphodiester bonds, whose main function is to fortify the cell wall. In some parasites, they serve as a site of attachment to mucosal membranes. CHEBI:26866 CHEBI:9431 KEGG:C06707 PMID:18327271 PMID:19229300 PMID:19899094 Wikipedia:Teichoic_acid chebi_ontology TAs teichoic acids CHEBI:30049 teichoic acid PMID:18327271 Europe PMC PMID:19229300 Europe PMC PMID:19899094 Europe PMC TAs ChEBI teichoic acids ChEBI 0 C2H4O2S InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) CWERGRDVMFNCDR-UHFFFAOYSA-N 92.11796 91.99320 OC(=O)CS CHEBI:26967 CHEBI:9554 Beilstein:506166 CAS:68-11-1 Gmelin:101048 KEGG:C02086 PDBeChem:MCR Thioglycolic acid sulfanylacetic acid chebi_ontology 2-mercaptoacetic acid 2-thioglycolic acid Mercaptoacetic acid Mercaptoessigsaeure Mercaptoethanoic acid Merkaptoessigsaeure SULFANYLACETIC ACID Thioglykolsaeure alpha-mercaptoacetic acid CHEBI:30065 thioglycolic acid Beilstein:506166 Beilstein CAS:68-11-1 ChemIDplus CAS:68-11-1 KEGG COMPOUND CAS:68-11-1 NIST Chemistry WebBook Gmelin:101048 Gmelin Thioglycolic acid KEGG_COMPOUND sulfanylacetic acid IUPAC 2-mercaptoacetic acid ChemIDplus 2-thioglycolic acid ChemIDplus Mercaptoacetic acid KEGG_COMPOUND Mercaptoessigsaeure ChEBI Mercaptoethanoic acid KEGG_COMPOUND Merkaptoessigsaeure ChEBI SULFANYLACETIC ACID PDBeChem Thioglykolsaeure ChEBI alpha-mercaptoacetic acid NIST_Chemistry_WebBook -1 C2H3O2S InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)/p-1 CWERGRDVMFNCDR-UHFFFAOYSA-M 91.11002 90.98592 [O-]C(=O)CS CHEBI:15236 CHEBI:26966 Beilstein:3903690 Gmelin:324390 sulfanylacetate chebi_ontology mercaptoacetate thioglycolate thioglycollate CHEBI:30066 thioglycolate(1-) Beilstein:3903690 Beilstein Gmelin:324390 Gmelin sulfanylacetate IUPAC mercaptoacetate ChEBI thioglycolate UniProt thioglycollate ChEBI +1 CH6N3 InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1 ZRALSGWEFCBTJO-UHFFFAOYSA-O 60.07856 60.05562 NC(N)=[NH2+] Beilstein:1902006 Gmelin:239627 guanidinium chebi_ontology [C(NH2)3](+) diaminomethaniminium guanidine CHEBI:30087 guanidinium Beilstein:1902006 Beilstein Gmelin:239627 Gmelin guanidinium IUPAC [C(NH2)3](+) ChEBI diaminomethaniminium IUPAC guanidine UniProt A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid. -1 C2H3O2 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 QTBSBXVTEAMEQO-UHFFFAOYSA-M 59.04402 59.01385 CC([O-])=O CHEBI:13704 CHEBI:22165 CHEBI:40480 Beilstein:1901470 CAS:71-50-1 DrugBank:DB03166 Gmelin:1379 KEGG:C00033 MetaCyc:ACET PDBeChem:ACT PMID:17190852 PMID:22211106 PMID:22371380 Reaxys:1901470 UM-BBD_compID:c0050 Wikipedia:Acetate acetate chebi_ontology ACETATE ION Azetat CH3-COO(-) Ethanoat MeCO2 anion acetic acid, ion(1-) ethanoate CHEBI:30089 acetate Beilstein:1901470 Beilstein CAS:71-50-1 ChemIDplus CAS:71-50-1 NIST Chemistry WebBook Gmelin:1379 Gmelin PMID:17190852 Europe PMC PMID:22211106 Europe PMC PMID:22371380 Europe PMC Reaxys:1901470 Reaxys UM-BBD_compID:c0050 UM-BBD acetate IUPAC acetate UniProt ACETATE ION PDBeChem Azetat ChEBI CH3-COO(-) IUPAC Ethanoat ChEBI MeCO2 anion NIST_Chemistry_WebBook acetic acid, ion(1-) ChemIDplus ethanoate ChEBI -1 H3N2 InChI=1S/H3N2/c1-2/h1H,2H2/q-1 XPXMKIXDFWLRAA-UHFFFAOYSA-N 31.03730 31.03017 N[NH-] diazanide hydrazinide chebi_ontology H2NNH(-) CHEBI:30095 hydrazinide diazanide IUPAC hydrazinide IUPAC H2NNH(-) IUPAC 0 H2N2 InChI=1S/H2N2/c1-2/h1-2H RAABOESOVLLHRU-UHFFFAOYSA-N 30.02936 30.02180 N=N CAS:3618-05-1 KEGG:C05360 diazene chebi_ontology Diimide HN=NH CHEBI:30096 diazene CAS:3618-05-1 ChemIDplus CAS:3618-05-1 NIST Chemistry WebBook diazene IUPAC Diimide NIST_Chemistry_WebBook HN=NH IUPAC -2 H2N2 InChI=1S/H2N2/c1-2/h1-2H/q-2 UHLWSQSGFMSSAR-UHFFFAOYSA-N 30.02936 30.02290 [NH-][NH-] diazane-1,2-diide hydrazine-1,2-diide chebi_ontology HNNH(2-) [HNNH](2-) CHEBI:30100 hydrazine-1,2-diide diazane-1,2-diide IUPAC hydrazine-1,2-diide IUPAC HNNH(2-) IUPAC [HNNH](2-) ChEBI -2 H2N2 InChI=1S/H2N2/c1-2/h1H2/q-2 KWVSCDAZIIBQAE-UHFFFAOYSA-N 30.02936 30.02290 [H]N([H])[N--] diazane-1,1-diide hydrazine-1,1-diide chebi_ontology H2NN(2-) [NNH2](2-) CHEBI:30101 hydrazine-1,1-diide diazane-1,1-diide IUPAC hydrazine-1,1-diide IUPAC H2NN(2-) IUPAC [NNH2](2-) ChEBI -1 HN2 InChI=1S/HN2/c1-2/h1H/q-1 XSCXGOPPNHTWEF-UHFFFAOYSA-N 29.02142 29.01452 N=[N-] diazenide chebi_ontology N=NH(-) CHEBI:30103 diazenide diazenide IUPAC N=NH(-) IUPAC -3 HN2 InChI=1S/HN2/c1-2/h1H/q-3 ZKUIGRIXKYUMMF-UHFFFAOYSA-N 29.02142 29.01562 [H][N-][N--] diazanetriide hydrazinetriide chebi_ontology NNH(3-) CHEBI:30104 diazanetriide diazanetriide IUPAC hydrazinetriide IUPAC NNH(3-) IUPAC 0 N2 28.01348 28.00615 [N-]=[N+]=* (azanidylidene)azaniumylidene diazo chebi_ontology =N(+)=N(-) =N2 CHEBI:30105 diazo group (azanidylidene)azaniumylidene IUPAC diazo IUPAC =N(+)=N(-) IUPAC =N2 IUPAC 0 N2 28.01348 28.00615 N(=N/*)\* diazenediyl chebi_ontology -N=N- azo diazene-1,2-diyl CHEBI:30106 azo group diazenediyl IUPAC -N=N- IUPAC azo IUPAC diazene-1,2-diyl IUPAC 0 ClF3 InChI=1S/ClF3/c2-1(3)4 JOHWNGGYGAVMGU-UHFFFAOYSA-N 92.44791 91.96406 FCl(F)F CAS:7790-91-2 Gmelin:1439 chlorine trifluoride trifluoridochlorine trifluoro-lambda(3)-chlorane chebi_ontology ClF3 [ClF3] chlorotrifluoride trifluorure de chlore CHEBI:30123 trifluorochlorine CAS:7790-91-2 ChemIDplus CAS:7790-91-2 NIST Chemistry WebBook Gmelin:1439 Gmelin chlorine trifluoride IUPAC trifluoridochlorine IUPAC trifluoro-lambda(3)-chlorane IUPAC ClF3 ChEBI [ClF3] ChEBI chlorotrifluoride NIST_Chemistry_WebBook trifluorure de chlore ChemIDplus 0 Li InChI=1S/Li WHXSMMKQMYFTQS-UHFFFAOYSA-N 6.94100 7.01600 [Li] CAS:7439-93-2 WebElements:Li lithium chebi_ontology 3Li Li Lithium lithium litio CHEBI:30145 lithium atom CAS:7439-93-2 NIST Chemistry WebBook lithium IUPAC 3Li IUPAC Li IUPAC Lithium ChEBI lithium ChEBI litio ChEBI A member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops. 0 C14H18N4O3 InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20) RIOXQFHNBCKOKP-UHFFFAOYSA-N 290.31770 290.13789 CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12 Beilstein:825455 CAS:17804-35-2 HMDB:HMDB0031767 KEGG:C10896 PMID:15813220 PMID:16903866 PMID:19049291 PMID:24693254 PMID:24782104 PMID:25045800 PMID:25104429 PMID:25145128 PPDB:66 Pesticides:benomyl Reaxys:825455 Wikipedia:Benomyl Benomyl methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate chebi_ontology 1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat 1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester 1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol Benlate Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate CHEBI:3015 benomyl Beilstein:825455 Beilstein CAS:17804-35-2 ChemIDplus CAS:17804-35-2 KEGG COMPOUND CAS:17804-35-2 NIST Chemistry WebBook PMID:15813220 Europe PMC PMID:16903866 Europe PMC PMID:19049291 Europe PMC PMID:24693254 Europe PMC PMID:24782104 Europe PMC PMID:25045800 Europe PMC PMID:25104429 Europe PMC PMID:25145128 Europe PMC Pesticides:benomyl Alan Wood's Pesticides Reaxys:825455 Reaxys Benomyl KEGG_COMPOUND methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate IUPAC 1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat ChemIDplus 1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester ChemIDplus 1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol ChemIDplus Benlate KEGG_COMPOUND Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate HMDB Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate HMDB Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate HMDB A boron oxide with formula B2O3. 0 B2O3 InChI=1S/B2O3/c3-1-5-2-4 JKWMSGQKBLHBQQ-UHFFFAOYSA-N 69.620 70.00335 B(OB=O)=O CAS:1303-86-2 Gmelin:11108 PMID:23882810 Reaxys:9549840 diboron trioxide chebi_ontology B2O3 Boric anhydride Boric oxide Boron oxide boron sesquioxide boron trioxide CHEBI:30163 diboron trioxide CAS:1303-86-2 ChemIDplus CAS:1303-86-2 NIST Chemistry WebBook Gmelin:11108 Gmelin PMID:23882810 Europe PMC Reaxys:9549840 Reaxys diboron trioxide IUPAC B2O3 ChEBI Boric anhydride NIST_Chemistry_WebBook Boric oxide NIST_Chemistry_WebBook Boron oxide ChemIDplus boron sesquioxide ChemIDplus boron trioxide ChemIDplus A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3. 0 C10H12N2O3S InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N 240.27900 240.05686 CC(C)N1C(=O)c2ccccc2NS1(=O)=O CAS:25057-89-0 KEGG:C10965 LINCS:LSM-20931 PMID:24393062 PMID:24412734 PMID:25281094 PPDB:71 Pesticides:bentazone Reaxys:530220 Wikipedia:Bentazon 3-(propan-2-yl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide chebi_ontology CHEBI:3018 bentazone CAS:25057-89-0 ChemIDplus CAS:25057-89-0 KEGG COMPOUND PMID:24393062 Europe PMC PMID:24412734 Europe PMC PMID:25281094 Europe PMC Pesticides:bentazone Alan Wood's Pesticides Reaxys:530220 Reaxys 3-(propan-2-yl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide IUPAC 0 H4Pb InChI=1S/Pb.4H XRCKXJLUPOKIPF-UHFFFAOYSA-N 211.23176 212.00795 [H][Pb]([H])([H])[H] CAS:15875-18-0 Gmelin:1078 lead tetrahydride plumbane tetrahydridolead chebi_ontology Bleiwasserstoff PbH4 Plumban CHEBI:30181 plumbane CAS:15875-18-0 NIST Chemistry WebBook Gmelin:1078 Gmelin lead tetrahydride IUPAC plumbane IUPAC tetrahydridolead IUPAC Bleiwasserstoff ChEBI PbH4 IUPAC Plumban ChEBI An organolead compound consisting of four ethyl groups joined to a central lead atom. 0 C8H20Pb InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3; MRMOZBOQVYRSEM-UHFFFAOYSA-N 323.44440 324.13315 CC[Pb](CC)(CC)CC Beilstein:3903146 CAS:78-00-2 Gmelin:68951 MolBase:600 PMID:114153 PMID:11496989 PMID:1237103 PMID:15327329 PMID:20877807 PMID:21619368 PMID:21650851 PMID:277123 PMID:3606972 PMID:3623324 PMID:4041386 PMID:4072246 PMID:7481745 Patent:US1907701 Reaxys:3903146 Wikipedia:Tetraethyllead tetraethyllead tetraethylplumbane chebi_ontology Bleitetraethyl PbEt4 TEL [PbEt4] tetraethyl lead CHEBI:30182 tetraethyllead Beilstein:3903146 ChemIDplus CAS:78-00-2 ChemIDplus CAS:78-00-2 NIST Chemistry WebBook Gmelin:68951 Gmelin PMID:114153 Europe PMC PMID:11496989 Europe PMC PMID:1237103 Europe PMC PMID:15327329 Europe PMC PMID:20877807 Europe PMC PMID:21619368 Europe PMC PMID:21650851 Europe PMC PMID:277123 Europe PMC PMID:3606972 Europe PMC PMID:3623324 Europe PMC PMID:4041386 Europe PMC PMID:4072246 Europe PMC PMID:7481745 Europe PMC Reaxys:3903146 Reaxys tetraethyllead IUPAC tetraethylplumbane IUPAC Bleitetraethyl ChEBI PbEt4 IUPAC TEL NIST_Chemistry_WebBook [PbEt4] MolBase tetraethyl lead ChemIDplus 0 C4H12Pb InChI=1S/4CH3.Pb/h4*1H3; XOOGZRUBTYCLHG-UHFFFAOYSA-N 267.33808 268.07055 C[Pb](C)(C)C Beilstein:3902986 CAS:75-74-1 Gmelin:2491 tetramethyllead tetramethylplumbane chebi_ontology Bleitetramethyl PbMe4 TML lead tetramethyl tetramethyl lead CHEBI:30183 tetramethyllead Beilstein:3902986 ChemIDplus CAS:75-74-1 ChemIDplus CAS:75-74-1 NIST Chemistry WebBook Gmelin:2491 Gmelin tetramethyllead IUPAC tetramethylplumbane IUPAC Bleitetramethyl ChEBI PbMe4 IUPAC TML NIST_Chemistry_WebBook lead tetramethyl ChemIDplus tetramethyl lead ChemIDplus aluminium oxide Particle of zero charge, zero rest mass, spin quantum number 1, energy hnu and momentum hnu/c (h is the Planck constant, nu the frequency of radiation and c the speed of light), carrier of electromagnetic force. 0 0.0 0.0 * CHEBI:10581 CHEBI:14383 KEGG:C00205 photon chebi_ontology Lichtquant Light foton gamma hnu light quantum CHEBI:30212 photon photon IUPAC Lichtquant ChEBI Light KEGG_COMPOUND foton ChEBI gamma IUPAC hnu IUPAC hnu UniProt light quantum ChEBI 0 F3N InChI=1S/F3N/c1-4(2)3 GVGCUCJTUSOZKP-UHFFFAOYSA-N 71.00195 70.99828 FN(F)F CAS:7783-54-2 Gmelin:1551 nitrogen trifluoride trifluoridonitrogen trifluoroazane chebi_ontology NF3 [NF3] nitrogen fluoride trifluoroamine trifluoroammonia CHEBI:30231 nitrogen trifluoride CAS:7783-54-2 ChemIDplus CAS:7783-54-2 NIST Chemistry WebBook Gmelin:1551 Gmelin nitrogen trifluoride IUPAC trifluoridonitrogen IUPAC trifluoroazane IUPAC NF3 IUPAC [NF3] IUPAC nitrogen fluoride NIST_Chemistry_WebBook trifluoroamine NIST_Chemistry_WebBook trifluoroammonia NIST_Chemistry_WebBook An octadecadienoate with cis- double bonds at the 9- and 12- positions; the conjugate base of linoleic acid. -1 C18H31O2 InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9- OYHQOLUKZRVURQ-HZJYTTRNSA-M 279.43754 279.23295 CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHEBI:12272 CHEBI:14515 CHEBI:20826 Beilstein:4139597 CAS:1509-85-9 Gmelin:667201 KEGG:C01595 MetaCyc:LINOLEIC_ACID Reaxys:4139597 (9Z,12Z)-octadeca-9,12-dienoate chebi_ontology (9Z,12Z)-9,12-octadecadienoic acid, ion(1-) (9Z,12Z)-octadecadienoate (Z,Z)-9,12-octadecadienoic acid, ion(1-) cis,cis-9,12-octadecadienoate cis,cis-linoleate cis-Delta(9,12)-octadecadienoate linoleic acid, ion(1-) CHEBI:30245 linoleate Beilstein:4139597 Beilstein CAS:1509-85-9 ChemIDplus Gmelin:667201 Gmelin Reaxys:4139597 Reaxys (9Z,12Z)-octadeca-9,12-dienoate IUPAC (9Z,12Z)-9,12-octadecadienoic acid, ion(1-) ChemIDplus (9Z,12Z)-octadecadienoate UniProt (Z,Z)-9,12-octadecadienoic acid, ion(1-) ChemIDplus cis,cis-9,12-octadecadienoate ChEBI cis,cis-linoleate ChEBI cis-Delta(9,12)-octadecadienoate ChEBI linoleic acid, ion(1-) ChemIDplus 0 C5FeO5 InChI=1S/5CO.Fe/c5*1-2; FYOFOKCECDGJBF-UHFFFAOYSA-N 195.89550 195.90951 [O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O] CAS:13463-40-6 Gmelin:3567 Gmelin:3568 MolBase:49 pentacarbonyliron pentacarbonyliron(0) chebi_ontology [Fe(CO)5] iron pentacarbonyl CHEBI:30251 pentacarbonyliron CAS:13463-40-6 ChemIDplus CAS:13463-40-6 NIST Chemistry WebBook Gmelin:3567 Gmelin Gmelin:3568 Gmelin pentacarbonyliron IUPAC pentacarbonyliron(0) IUPAC [Fe(CO)5] IUPAC iron pentacarbonyl NIST_Chemistry_WebBook 0 CS 44.07670 43.97207 S=C(*)* carbonothioyl thiocarbonyl chebi_ontology >C=S CHEBI:30256 thiocarbonyl group carbonothioyl IUPAC thiocarbonyl IUPAC >C=S IUPAC 0 C3H3N3 InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H JIHQDMXYYFUGFV-UHFFFAOYSA-N 81.07614 81.03270 c1ncncn1 Beilstein:104790 CAS:290-87-9 Gmelin:1813 1,3,5-triazine chebi_ontology s-triazine sym-triazine CHEBI:30259 1,3,5-triazine Beilstein:104790 Beilstein CAS:290-87-9 ChemIDplus CAS:290-87-9 NIST Chemistry WebBook Gmelin:1813 Gmelin 1,3,5-triazine IUPAC s-triazine ChemIDplus sym-triazine NIST_Chemistry_WebBook A diamino-1,3,5-triazine that is N-tert-butyl-N'-methyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. 0 C9H16ClN5 InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15) FZXISNSWEXTPMF-UHFFFAOYSA-N 229.71000 229.10942 CCNc1nc(Cl)nc(NC(C)(C)C)n1 Beilstein:3951137 CAS:5915-41-3 KEGG:C18810 PMID:16526725 PMID:23280488 PMID:23288680 PMID:24468338 PPDB:623 Pesticides:terbuthylazine Reaxys:3951137 Wikipedia:Terbuthylazine N-(tert-butyl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine Terbutylazine chebi_ontology Terbuthylazine Terbutylethylazine CHEBI:30263 terbutylazine Beilstein:3951137 Beilstein CAS:5915-41-3 ChemIDplus CAS:5915-41-3 KEGG COMPOUND CAS:5915-41-3 NIST Chemistry WebBook PMID:16526725 Europe PMC PMID:23280488 Europe PMC PMID:23288680 Europe PMC PMID:24468338 Europe PMC Pesticides:terbuthylazine Alan Wood's Pesticides Reaxys:3951137 Reaxys N-(tert-butyl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine IUPAC Terbutylazine ChemIDplus Terbuthylazine NIST_Chemistry_WebBook Terbutylethylazine ChemIDplus A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group. 0 C8H15N5O InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) HKAMKLBXTLTVCN-UHFFFAOYSA-N 197.23780 197.12766 CCNc1nc(NCC)nc(OC)n1 Beilstein:11608 CAS:673-04-1 Gmelin:1127121 PMID:19888661 Patent:WO2008062557 Pesticides:simeton Reaxys:11608 N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine simeton chebi_ontology 2,4-bis(ethylamino)-6-methoxy-s-triazine 2-methoxy-4,6-bis(ethylamino)-1,3,5-triazine 4,6-bis(ethylamino)-2-methoxy-s-triazine methoxy simazine CHEBI:30264 simeton Beilstein:11608 Beilstein CAS:673-04-1 ChemIDplus CAS:673-04-1 NIST Chemistry WebBook Gmelin:1127121 Gmelin PMID:19888661 Europe PMC Pesticides:simeton Alan Wood's Pesticides Reaxys:11608 Reaxys N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC simeton ChemIDplus 2,4-bis(ethylamino)-6-methoxy-s-triazine NIST_Chemistry_WebBook 2-methoxy-4,6-bis(ethylamino)-1,3,5-triazine NIST_Chemistry_WebBook 4,6-bis(ethylamino)-2-methoxy-s-triazine NIST_Chemistry_WebBook methoxy simazine ChemIDplus +1 AsH4 InChI=1S/AsH4/h1H4/q+1 VUEDNLCYHKSELL-UHFFFAOYSA-N 78.95336 78.95235 [H][As+]([H])([H])[H] Gmelin:322800 arsanium arsonium chebi_ontology AsH4(+) [AsH4](+) CHEBI:30272 arsonium Gmelin:322800 Gmelin arsanium IUPAC arsonium IUPAC AsH4(+) IUPAC [AsH4](+) ChEBI The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached. 0 H3P InChI=1S/H3P/h1H3 XYFCBTPGUUZFHI-UHFFFAOYSA-N 33.99758 33.99724 [H]P([H])[H] CAS:7803-51-2 FooDB:FDB013348 Gmelin:287 HMDB:HMDB0034790 MetaCyc:CPD-21528 PMID:11841601 PMID:12694741 PMID:21894233 PPDB:1456 Pesticides:phosphine Reaxys:3600171 Wikipedia:Phosphane phosphane phosphorus trihydride trihydridophosphorus chebi_ontology PH3 Phosphorwasserstoff [PH3] fosfano fosfina phosphine CHEBI:30278 phosphane CAS:7803-51-2 ChemIDplus CAS:7803-51-2 NIST Chemistry WebBook Gmelin:287 Gmelin PMID:11841601 Europe PMC PMID:12694741 Europe PMC PMID:21894233 Europe PMC Pesticides:phosphine Alan Wood's Pesticides Reaxys:3600171 Reaxys phosphane IUPAC phosphorus trihydride IUPAC trihydridophosphorus IUPAC PH3 IUPAC Phosphorwasserstoff NIST_Chemistry_WebBook [PH3] IUPAC fosfano IUPAC fosfina IUPAC phosphine NIST_Chemistry_WebBook +1 H4P InChI=1S/H3P/h1H3/p+1 XYFCBTPGUUZFHI-UHFFFAOYSA-O 35.00552 35.00451 [H][P+]([H])([H])[H] Gmelin:292 phosphanium phosphonium tetrahydridophosphorus(1+) chebi_ontology PH4(+) [PH4](+) CHEBI:30282 phosphonium Gmelin:292 Gmelin phosphanium IUPAC phosphonium IUPAC tetrahydridophosphorus(1+) IUPAC PH4(+) IUPAC [PH4](+) ChEBI 0 H3Sb InChI=1S/Sb.3H OUULRIDHGPHMNQ-UHFFFAOYSA-N 124.78382 123.92729 [H][Sb]([H])[H] CAS:7803-52-3 Gmelin:795 MolBase:1658 antimony trihydride stibane trihydridoantimony chebi_ontology Antimonwasserstoff SbH3 [SbH3] stibine CHEBI:30288 stibane CAS:7803-52-3 ChemIDplus CAS:7803-52-3 NIST Chemistry WebBook Gmelin:795 Gmelin antimony trihydride IUPAC stibane IUPAC trihydridoantimony IUPAC Antimonwasserstoff ChEBI SbH3 IUPAC [SbH3] MolBase stibine NIST_Chemistry_WebBook +1 H4Sb InChI=1S/Sb.4H/q+1;;;; HISNRBVYBOVKMB-UHFFFAOYSA-N 125.79176 124.93456 [H][Sb+]([H])([H])[H] stibanium stibonium tetrahydridoantimony(1+) chebi_ontology SbH4(+) [SbH4](+) CHEBI:30292 stibonium stibanium IUPAC stibonium IUPAC tetrahydridoantimony(1+) IUPAC SbH4(+) IUPAC [SbH4](+) ChEBI 0 Sb 121.760 120.90382 CAS:7440-36-0 Gmelin:16305 antimony antimony(0) chebi_ontology Antimony, metallic Sb(0) Sbn Stibium metallicum CHEBI:30304 antimony(0) CAS:7440-36-0 ChemIDplus Gmelin:16305 Gmelin antimony IUPAC antimony(0) IUPAC Antimony, metallic ChemIDplus Sb(0) ChEBI Sbn IUPAC Stibium metallicum ChemIDplus A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3. -1 C8H13O2S2 InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1 AGBQKNBQESQNJD-UHFFFAOYSA-M 205.31962 205.03625 [O-]C(=O)CCCCC1CCSS1 CHEBI:14519 CHEBI:25056 Gmelin:2110645 Reaxys:4993294 5-(1,2-dithiolan-3-yl)pentanoate chebi_ontology 1,2-dithiolane-3-pentanoate 1,2-dithiolane-3-valerate 5-(1,2-dithiolan-3-yl)pentanoate 5-(1,2-dithiolan-3-yl)valerate 5-(dithiolan-3-yl)valerate 5-[1,2]Dithiolan-3-yl-pentanoate 5-[3-(1,2-dithiolanyl)]pentanoate 6,8-thioctate 6,8-thiotate 6-thioctate 6-thiotate liponate thioctate CHEBI:30313 lipoate Gmelin:2110645 Gmelin Reaxys:4993294 Reaxys 5-(1,2-dithiolan-3-yl)pentanoate IUPAC 1,2-dithiolane-3-pentanoate ChEBI 1,2-dithiolane-3-valerate ChEBI 5-(1,2-dithiolan-3-yl)pentanoate ChEBI 5-(1,2-dithiolan-3-yl)valerate ChEBI 5-(dithiolan-3-yl)valerate ChEBI 5-[1,2]Dithiolan-3-yl-pentanoate ChEBI 5-[3-(1,2-dithiolanyl)]pentanoate ChEBI 6,8-thioctate ChEBI 6,8-thiotate ChEBI 6-thioctate ChEBI 6-thiotate ChEBI liponate ChEBI thioctate ChEBI -1 C2H3OS InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)/p-1 DUYAAUVXQSMXQP-UHFFFAOYSA-M 75.11062 74.99101 CC([S-])=O CHEBI:15233 CHEBI:26951 Beilstein:1848542 Beilstein:3903387 CAS:29632-72-2 Gmelin:323277 ethanethioate thioacetate chebi_ontology Thioacetat CHEBI:30320 thioacetate Beilstein:1848542 Beilstein Beilstein:3903387 Beilstein CAS:29632-72-2 ChemIDplus Gmelin:323277 Gmelin ethanethioate IUPAC thioacetate IUPAC thioacetate UniProt Thioacetat ChEBI A phosphorus halide with formula Cl3P. 0 Cl3P InChI=1S/Cl3P/c1-4(2)3 FAIAAWCVCHQXDN-UHFFFAOYSA-N 137.33186 135.88032 ClP(Cl)Cl CAS:7719-12-2 Gmelin:1869 MolBase:358 Reaxys:969177 phosphorus trichloride phosphorus(III) chloride trichloridophosphorus trichlorophosphane chebi_ontology PCl3 [PCl3] phosphorous trichloride CHEBI:30334 phosphorus trichloride CAS:7719-12-2 NIST Chemistry WebBook Gmelin:1869 Gmelin Reaxys:969177 Reaxys phosphorus trichloride IUPAC phosphorus(III) chloride IUPAC trichloridophosphorus IUPAC trichlorophosphane IUPAC PCl3 IUPAC [PCl3] MolBase phosphorous trichloride ChEBI 0 Cl5P InChI=1S/Cl5P/c1-6(2,3,4)5 UHZYTMXLRWXGPK-UHFFFAOYSA-N 208.23726 205.81803 ClP(Cl)(Cl)(Cl)Cl CAS:10026-13-8 Gmelin:2622 MolBase:469 pentachloridophosphorus pentachloro-lambda(5)-phosphane phosphorus pentachloride phosphorus(V) chloride chebi_ontology PCl5 [PCl5] CHEBI:30335 phosphorus pentachloride CAS:10026-13-8 NIST Chemistry WebBook Gmelin:2622 Gmelin pentachloridophosphorus IUPAC pentachloro-lambda(5)-phosphane IUPAC phosphorus pentachloride IUPAC phosphorus(V) chloride IUPAC PCl5 ChEBI [PCl5] MolBase 0 Cl3OP InChI=1S/Cl3OP/c1-5(2,3)4 XHXFXVLFKHQFAL-UHFFFAOYSA-N 153.33126 151.87523 ClP(Cl)(Cl)=O CAS:10025-87-3 Gmelin:2272 MolBase:472 phosphoryl trichloride trichloridooxidophosphorus chebi_ontology POCl3 Phosphoroxidchlorid Phosphoroxychlorid Phosphortrichloridoxid Phosphorylchlorid [PCl3O] phosphoric trichloride phosphorus oxychloride phosphorus trichloride oxide phosphorus(V) trichloride oxide phosphoryl chloride trichlorure de phosphoryle CHEBI:30336 phosphoryl trichloride CAS:10025-87-3 NIST Chemistry WebBook Gmelin:2272 Gmelin phosphoryl trichloride IUPAC trichloridooxidophosphorus IUPAC POCl3 NIST_Chemistry_WebBook Phosphoroxidchlorid ChEBI Phosphoroxychlorid ChEBI Phosphortrichloridoxid ChEBI Phosphorylchlorid ChEBI [PCl3O] IUPAC phosphoric trichloride NIST_Chemistry_WebBook phosphorus oxychloride NIST_Chemistry_WebBook phosphorus trichloride oxide IUPAC phosphorus(V) trichloride oxide NIST_Chemistry_WebBook phosphoryl chloride NIST_Chemistry_WebBook trichlorure de phosphoryle ChEBI An alkane-alpha,omega-diamine in which the alkane is ethane. 0 C2H8N2 InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 PIICEJLVQHRZGT-UHFFFAOYSA-N 60.09840 60.06875 NCCN Beilstein:605263 CAS:107-15-3 Gmelin:1098 HMDB:HMDB0031225 KEGG:D01114 MetaCyc:CPD-3682 PDBeChem:EDN PMID:21616561 PMID:3692019 PMID:7070713 Reaxys:605263 Wikipedia:Ethylenediamine ethane-1,2-diamine ethylenediamine chebi_ontology 1,2-ethanediamine en CHEBI:30347 ethylenediamine Beilstein:605263 Beilstein CAS:107-15-3 ChemIDplus CAS:107-15-3 NIST Chemistry WebBook Gmelin:1098 Gmelin PMID:21616561 Europe PMC PMID:3692019 Europe PMC PMID:7070713 Europe PMC Reaxys:605263 Reaxys ethane-1,2-diamine IUPAC ethylenediamine IUPAC 1,2-ethanediamine IUPAC en IUPAC A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. 0 C10H8N2 InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H ROFVEXUMMXZLPA-UHFFFAOYSA-N 156.188 156.06875 C1=CN=C(C=C1)C1=CC=CC=N1 Beilstein:113089 CAS:366-18-7 Chemspider:13867714 Gmelin:3720 Gmelin:936807 MetaCyc:CPD-8819 PDBeChem:0BP PMID:11564534 PMID:11749322 PMID:15998024 PMID:17497019 PMID:17744054 PMID:20050605 PMID:24061243 PMID:24816007 PMID:24816017 PMID:28640600 PMID:31683694 PMID:32326057 PMID:32672448 PMID:32871080 PMID:33117818 PMID:33544614 Reaxys:113089 Wikipedia:2,2%27-Bipyridine 2,2'-bipyridine chebi_ontology 2,2'-Bipyridin 2,2'-bipyridyl 2,2'-dipyridine 2,2'-dipyridyl 2-(2-pyridyl)pyridine alpha,alpha'-bipyridine alpha,alpha'-bipyridyl alpha,alpha'-dipyridine alpha,alpha'-dipyridyl bpy CHEBI:30351 2,2'-bipyridine Beilstein:113089 Beilstein CAS:366-18-7 ChemIDplus CAS:366-18-7 NIST Chemistry WebBook Gmelin:3720 Gmelin Gmelin:936807 Gmelin PMID:11564534 Europe PMC PMID:11749322 Europe PMC PMID:15998024 Europe PMC PMID:17497019 Europe PMC PMID:17744054 Europe PMC PMID:20050605 Europe PMC PMID:24061243 Europe PMC PMID:24816007 Europe PMC PMID:24816017 Europe PMC PMID:28640600 Europe PMC PMID:31683694 Europe PMC PMID:32326057 Europe PMC PMID:32672448 Europe PMC PMID:32871080 Europe PMC PMID:33117818 Europe PMC PMID:33544614 Europe PMC Reaxys:113089 Reaxys 2,2'-bipyridine IUPAC 2,2'-Bipyridin ChemIDplus 2,2'-bipyridyl IUPAC 2,2'-dipyridine ChemIDplus 2,2'-dipyridyl ChemIDplus 2-(2-pyridyl)pyridine ChemIDplus alpha,alpha'-bipyridine NIST_Chemistry_WebBook alpha,alpha'-bipyridyl NIST_Chemistry_WebBook alpha,alpha'-dipyridine NIST_Chemistry_WebBook alpha,alpha'-dipyridyl NIST_Chemistry_WebBook bpy IUPAC 0 C3H7 43.08768 43.05478 CC(*)C isopropyl propan-2-yl chebi_ontology (CH3)2CH- -CH(CH3)2 1-methylethyl iPr valine side-chain CHEBI:30353 isopropyl group isopropyl IUPAC propan-2-yl IUPAC (CH3)2CH- IUPAC -CH(CH3)2 ChEBI 1-methylethyl IUPAC iPr CBN valine side-chain ChEBI 0 C4H9 57.11426 57.07043 CC(C)(C)* 1,1-dimethylethyl 2-methylpropan-2-ido 2-methylpropan-2-yl tert-butyl chebi_ontology (CH3)3C- -C(CH3)3 -CMe3 t-butyl tBu CHEBI:30355 tert-butyl group 1,1-dimethylethyl IUPAC 2-methylpropan-2-ido IUPAC 2-methylpropan-2-yl IUPAC tert-butyl IUPAC (CH3)3C- IUPAC -C(CH3)3 ChEBI -CMe3 ChEBI t-butyl ChEBI tBu CBN 0 C4H9 57.11426 57.07043 CC(C)C* 2-methylpropan-1-ido 2-methylpropyl isobutyl chebi_ontology (CH3)2CH-CH2- -CH2-CH(CH3)2 iBu leucine side-chain CHEBI:30356 isobutyl group 2-methylpropan-1-ido IUPAC 2-methylpropyl IUPAC isobutyl IUPAC (CH3)2CH-CH2- IUPAC -CH2-CH(CH3)2 ChEBI iBu CBN leucine side-chain ChEBI An alkane that is butane substituted by a methyl group at position 2. 0 C5H12 InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 QWTDNUCVQCZILF-UHFFFAOYSA-N 72.14878 72.09390 CCC(C)C Beilstein:1730723 CAS:78-78-4 Gmelin:49318 PMID:21481069 PMID:23904008 PMID:24833189 PMID:24932627 Reaxys:1730723 Wikipedia:Isopentane 2-methylbutane isopentane chebi_ontology (CH3)2CH-CH2-CH3 1,1,2-trimethylethane 1,1-dimethylpropane R-601a dimethylethylmethane iso-C5H12 iso-pentane isoamylhydride CHEBI:30362 isopentane Beilstein:1730723 Beilstein CAS:78-78-4 ChemIDplus CAS:78-78-4 NIST Chemistry WebBook Gmelin:49318 Gmelin PMID:21481069 Europe PMC PMID:23904008 Europe PMC PMID:24833189 Europe PMC PMID:24932627 Europe PMC Reaxys:1730723 Reaxys 2-methylbutane IUPAC isopentane IUPAC (CH3)2CH-CH2-CH3 IUPAC 1,1,2-trimethylethane NIST_Chemistry_WebBook 1,1-dimethylpropane NIST_Chemistry_WebBook R-601a ChEBI dimethylethylmethane ChemIDplus iso-C5H12 NIST_Chemistry_WebBook iso-pentane NIST_Chemistry_WebBook isoamylhydride ChemIDplus An alkane that is propane substituted by a methyl group at position 2. isobutane http://langual.org 0 C4H10 InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3 NNPPMTNAJDCUHE-UHFFFAOYSA-N 58.12220 58.07825 CC(C)C Beilstein:1730720 CAS:75-28-5 Codex::943b Europe::943b Gmelin:1301 KEGG:D04623 PMID:24179026 PMID:24464945 Reaxys:1730720 Wikipedia:Isobutane http://www.langual.org/langual_thesaurus.asp?termid=B4399 2-methylpropane isobutane chebi_ontology (CH3)2CH-CH3 E943b R-600a CHEBI:30363 LanguaL term definition: Food additive; technological purpose(s): propellant. isobutane Beilstein:1730720 Beilstein CAS:75-28-5 ChemIDplus CAS:75-28-5 NIST Chemistry WebBook Gmelin:1301 Gmelin PMID:24179026 Europe PMC PMID:24464945 Europe PMC Reaxys:1730720 Reaxys 2-methylpropane IUPAC isobutane IUPAC (CH3)2CH-CH3 IUPAC E943b ChEBI R-600a ChEBI -1 C3H3N2 InChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1 LBLQPCAYBXWESC-UHFFFAOYSA-N 67.06940 67.03017 c1cn[n-]c1 Gmelin:323123 pyrazol-1-ide chebi_ontology pyrazolide anion pz CHEBI:30367 pyrazol-1-ide Gmelin:323123 Gmelin pyrazol-1-ide IUPAC pyrazolide anion NIST_Chemistry_WebBook pz IUPAC 0 C4NiO4 InChI=1S/4CO.Ni/c4*1-2; AWDHUGLHGCVIEG-UHFFFAOYSA-N 170.73380 169.91500 [O]#C[Ni](C#[O])(C#[O])C#[O] Beilstein:6122797 Beilstein:6711606 CAS:13463-39-3 Gmelin:101586 Gmelin:3135 MolBase:138 tetracarbonylnickel tetracarbonylnickel(0) chebi_ontology Nickel carbonyl Nickel tetracarbonyl [Ni(CO)4] CHEBI:30372 tetracarbonylnickel Beilstein:6122797 Beilstein Beilstein:6711606 Beilstein CAS:13463-39-3 ChemIDplus CAS:13463-39-3 NIST Chemistry WebBook Gmelin:101586 Gmelin Gmelin:3135 Gmelin tetracarbonylnickel IUPAC tetracarbonylnickel(0) IUPAC Nickel carbonyl ChemIDplus Nickel tetracarbonyl NIST_Chemistry_WebBook [Ni(CO)4] IUPAC A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified. COMe:MOL000036 PDBeChem:B12 PMID:11371572 PMID:15181872 COBALAMIN Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide cobalamin chebi_ontology CHEBI:30411 cobalamin PMID:11371572 Europe PMC PMID:15181872 Europe PMC COBALAMIN PDBeChem Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide IUPAC cobalamin IUPAC +2 0.00000 [*++] CHEBI:23856 CHEBI:4665 KEGG:C00572 chebi_ontology Divalent cation divalent inorganic cations monoatomic dications CHEBI:30412 monoatomic dication Divalent cation KEGG_COMPOUND divalent inorganic cations ChEBI monoatomic dications ChEBI A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum. 0 In InChI=1S/In APFVFJFRJDLVQX-UHFFFAOYSA-N 114.81800 114.90388 [In] CAS:7440-74-6 Gmelin:16297 WebElements:In indium chebi_ontology 49In In Indium indio indium CHEBI:30430 indium atom CAS:7440-74-6 ChemIDplus CAS:7440-74-6 NIST Chemistry WebBook Gmelin:16297 Gmelin indium IUPAC 49In IUPAC In IUPAC Indium ChEBI indio ChEBI indium ChEBI 0 F6Se InChI=1S/F6Se/c1-7(2,3,4,5)6 LMDVZDMBPZVAIV-UHFFFAOYSA-N 192.95042 193.90694 F[Se](F)(F)(F)(F)F CAS:7783-79-1 Gmelin:68800 Gmelin:936140 MolBase:879 hexafluoridoselenium selenium hexafluoride selenium(6+) fluoride selenium(VI) fluoride chebi_ontology SeF6 [SeF6] CHEBI:30434 selenium hexafluoride CAS:7783-79-1 ChemIDplus CAS:7783-79-1 NIST Chemistry WebBook Gmelin:68800 Gmelin Gmelin:936140 Gmelin hexafluoridoselenium IUPAC selenium hexafluoride IUPAC selenium(6+) fluoride IUPAC selenium(VI) fluoride IUPAC SeF6 IUPAC [SeF6] MolBase A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot). 0 Tl InChI=1S/Tl BKVIYDNLLOSFOA-UHFFFAOYSA-N 204.38330 204.97443 [Tl] CAS:7440-28-0 Gmelin:16308 WebElements:Tl thallium chebi_ontology 81Tl Tl talio CHEBI:30440 thallium CAS:7440-28-0 ChemIDplus CAS:7440-28-0 NIST Chemistry WebBook Gmelin:16308 Gmelin thallium IUPAC 81Tl IUPAC Tl IUPAC talio ChEBI 0 Ge InChI=1S/Ge GNPVGFCGXDBREM-UHFFFAOYSA-N 72.61000 73.92118 [Ge] CAS:7440-56-4 WebElements:Ge germanium chebi_ontology 32Ge Ge germanio germanium CHEBI:30441 germanium atom CAS:7440-56-4 ChemIDplus CAS:7440-56-4 NIST Chemistry WebBook germanium IUPAC 32Ge IUPAC Ge IUPAC germanio ChEBI germanium ChEBI 0 GeH4 InChI=1S/GeH4/h1H4 QUZPNFFHZPRKJD-UHFFFAOYSA-N 76.64176 77.95248 [H][Ge]([H])([H])[H] CAS:7440-56-4 CAS:7782-65-2 Gmelin:587 Gmelin:845011 Gmelin:845012 Gmelin:845013 Gmelin:910814 KEGG:C15472 germane germanium tetrahydride tetrahydridogermanium chebi_ontology GeH4 CHEBI:30443 germane CAS:7440-56-4 KEGG COMPOUND CAS:7782-65-2 ChemIDplus CAS:7782-65-2 NIST Chemistry WebBook Gmelin:587 Gmelin Gmelin:845011 Gmelin Gmelin:845012 Gmelin Gmelin:845013 Gmelin Gmelin:910814 Gmelin germane IUPAC germanium tetrahydride IUPAC tetrahydridogermanium IUPAC GeH4 IUPAC 0 Te InChI=1S/Te PORWMNRCUJJQNO-UHFFFAOYSA-N 127.60000 129.90622 [Te] CAS:13494-80-9 Gmelin:16309 WebElements:Te tellurium chebi_ontology 52Te Te Tellur tellure tellurium teluro CHEBI:30452 tellurium atom CAS:13494-80-9 ChemIDplus CAS:13494-80-9 NIST Chemistry WebBook Gmelin:16309 Gmelin tellurium IUPAC 52Te IUPAC Te IUPAC Tellur ChEBI tellure ChEBI tellurium ChEBI teluro ChEBI 0 F6Te InChI=1S/F6Te/c1-7(2,3,4,5)6 NNCGPRGCYAWTAF-UHFFFAOYSA-N 241.59042 243.89664 F[Te](F)(F)(F)(F)F CAS:7783-80-4 Gmelin:2601 MolBase:975 hexafluoridotellurium tellurium hexafluoride tellurium(6+) fluoride tellurium(VI) fluoride chebi_ontology TeF6 [TeF6] CHEBI:30469 tellurium hexafluoride CAS:7783-80-4 ChemIDplus CAS:7783-80-4 NIST Chemistry WebBook Gmelin:2601 Gmelin hexafluoridotellurium IUPAC tellurium hexafluoride IUPAC tellurium(6+) fluoride IUPAC tellurium(VI) fluoride IUPAC TeF6 IUPAC [TeF6] MolBase An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a hydroxy group. A fungicide used to control a variety of infections including blight on potatoes, leaf spot on sugar beet and alternaria blight on carrots. 0 C18H16OSn InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1 BFWMWWXRWVJXSE-UHFFFAOYSA-M 367.02904 368.02232 O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 AGR:IND20426744 AGR:IND79056532 Beilstein:4139186 CAS:76-87-9 Gmelin:7194 KEGG:C18729 MolBase:332 PMID:16162336 PMID:16806747 PMID:20563930 PMID:3232835 PMID:5675476 PPDB:312 Reaxys:3770576 triphenylstannanol chebi_ontology Fentin Sn(OH)Ph3 [Sn(OH)Ph3] hydroxytriphenylstannane hydroxytriphenyltin triphenylstannylium hydroxide triphenyltin hydroxide CHEBI:30473 fentin hydroxide AGR:IND20426744 Europe PMC AGR:IND79056532 Europe PMC Beilstein:4139186 Beilstein CAS:76-87-9 ChemIDplus CAS:76-87-9 KEGG COMPOUND CAS:76-87-9 NIST Chemistry WebBook Gmelin:7194 Gmelin PMID:16162336 Europe PMC PMID:16806747 Europe PMC PMID:20563930 Europe PMC PMID:3232835 Europe PMC PMID:5675476 Europe PMC Reaxys:3770576 Reaxys triphenylstannanol IUPAC Fentin KEGG_COMPOUND Sn(OH)Ph3 IUPAC [Sn(OH)Ph3] MolBase hydroxytriphenylstannane NIST_Chemistry_WebBook hydroxytriphenyltin NIST_Chemistry_WebBook triphenylstannylium hydroxide Alan_Wood's_Pesticides triphenyltin hydroxide ChemIDplus +1 H3Se InChI=1S/H2Se/h1H2/p+1 SPVXKVOXSXTJOY-UHFFFAOYSA-O 81.98382 82.93945 [H][Se+]([H])[H] Gmelin:557990 selanium selenonium trihydridoselenium(1+) chebi_ontology H3Se(+) [SeH3](+) CHEBI:30485 selenonium Gmelin:557990 Gmelin selanium IUPAC selenonium IUPAC trihydridoselenium(1+) IUPAC H3Se(+) IUPAC [SeH3](+) ChEBI +1 H3S InChI=1S/H2S/h1H2/p+1 RWSOTUBLDIXVET-UHFFFAOYSA-O 35.08982 34.99500 [H][S+]([H])[H] CAS:18155-21-0 Gmelin:307 sulfanium sulfonium trihydridosulfur(1+) chebi_ontology H3S(+) H3S+ [SH3](+) sulphonium CHEBI:30488 sulfonium CAS:18155-21-0 ChemIDplus CAS:18155-21-0 NIST Chemistry WebBook Gmelin:307 Gmelin sulfanium IUPAC sulfonium IUPAC trihydridosulfur(1+) IUPAC H3S(+) IUPAC H3S+ NIST_Chemistry_WebBook [SH3](+) ChEBI sulphonium ChEBI 0 F2O InChI=1S/F2O/c1-3-2 UJMWVICAENGCRF-UHFFFAOYSA-N 53.99621 53.99172 FOF CAS:7783-41-7 Gmelin:1054 MolBase:972 difluoridooxygen oxygen difluoride chebi_ontology Difluorine monoxide Fluorine monoxide OF2 [OF2] CHEBI:30494 oxygen difluoride CAS:7783-41-7 ChemIDplus CAS:7783-41-7 NIST Chemistry WebBook Gmelin:1054 Gmelin difluoridooxygen IUPAC oxygen difluoride IUPAC Difluorine monoxide NIST_Chemistry_WebBook Fluorine monoxide ChemIDplus OF2 IUPAC [OF2] IUPAC 0 F4S InChI=1S/F4S/c1-5(2,3)4 QHMQWEPBXSHHLH-UHFFFAOYSA-N 108.05961 107.96568 FS(F)(F)F CAS:7783-60-0 Gmelin:2072 MolBase:970 sulfur tetrafluoride sulfur(4+) fluoride sulfur(IV) fluoride tetrafluoridosulfur chebi_ontology SF4 [SF4] CHEBI:30495 sulfur tetrafluoride CAS:7783-60-0 ChemIDplus CAS:7783-60-0 NIST Chemistry WebBook Gmelin:2072 Gmelin sulfur tetrafluoride IUPAC sulfur(4+) fluoride IUPAC sulfur(IV) fluoride IUPAC tetrafluoridosulfur IUPAC SF4 IUPAC [SF4] MolBase sulfur hexafluoride Alkaline earth metal atom with atomic number 4. 0 Be InChI=1S/Be ATBAMAFKBVZNFJ-UHFFFAOYSA-N 9.01218 9.01218 [Be] CAS:7440-41-7 Gmelin:16265 PMID:10858219 PMID:11897645 PMID:14643414 PMID:16951350 PMID:18250483 PMID:18768897 PMID:24912188 Reaxys:14617151 WebElements:Be beryllium chebi_ontology 4Be Be Beryllium berilio beryllium CHEBI:30501 beryllium atom CAS:7440-41-7 ChemIDplus CAS:7440-41-7 NIST Chemistry WebBook Gmelin:16265 Gmelin PMID:10858219 Europe PMC PMID:11897645 Europe PMC PMID:14643414 Europe PMC PMID:16951350 Europe PMC PMID:18250483 Europe PMC PMID:18768897 Europe PMC PMID:24912188 Europe PMC Reaxys:14617151 Reaxys beryllium IUPAC 4Be IUPAC Be IUPAC Beryllium ChEBI berilio ChEBI beryllium ChEBI 0 Ag InChI=1S/Ag BQCADISMDOOEFD-UHFFFAOYSA-N 107.86820 106.90509 [Ag] CAS:7440-22-4 WebElements:Ag silver chebi_ontology 47Ag Ag Silber argent argentum plata silver CHEBI:30512 silver atom CAS:7440-22-4 ChemIDplus silver IUPAC 47Ag IUPAC Ag IUPAC Silber ChemIDplus argent ChEBI argentum IUPAC plata ChEBI silver ChEBI 0 Sb InChI=1S/Sb WATWJIUSRGPENY-UHFFFAOYSA-N 121.76000 120.90381 [Sb] WebElements:Sb antimony chebi_ontology 51Sb Antimon Sb antimoine antimonio antimony stibium CHEBI:30513 antimony atom antimony IUPAC 51Sb IUPAC Antimon ChEBI Sb IUPAC antimoine ChEBI antimonio ChEBI antimony ChEBI stibium IUPAC 0 Cs InChI=1S/Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N 132.90545 132.90545 [Cs] WebElements:Cs caesium chebi_ontology 55Cs Caesium Cs Zaesium caesium cesio cesium CHEBI:30514 caesium atom caesium IUPAC 55Cs IUPAC Caesium ChEBI Cs IUPAC Zaesium ChEBI caesium ChEBI cesio ChEBI cesium ChEBI cesium IUPAC An alpha-amino-acid anion resulting from the deprotonation of the carboxy group of 1-aminocyclopropanecarboxylic acid. -1 C4H6NO2 InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)/p-1 PAJPWUMXBYXFCZ-UHFFFAOYSA-M 100.09598 100.04040 NC1(CC1)C([O-])=O CHEBI:11251 CHEBI:19026 Beilstein:5501203 KEGG:C01234 UM-BBD_compID:c0352 1-aminocyclopropane-1-carboxylate chebi_ontology 1-aminocyclopropane-1-carboxylate ACC CHEBI:30526 1-aminocyclopropanecarboxylate Beilstein:5501203 Beilstein UM-BBD_compID:c0352 UM-BBD 1-aminocyclopropane-1-carboxylate IUPAC 1-aminocyclopropane-1-carboxylate ChEBI ACC ChEBI A derivative of the dimethylisoalloxazine (7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione) skeleton, with a substituent on the 10 position. 0 C12H9N4O2R 241.22550 241.07255 Cc1cc2nc3c(nc(=O)[nH]c3=O)n([*])c2cc1C CHEBI:24042 CHEBI:5073 KEGG:C00176 Flavin flavins chebi_ontology CHEBI:30527 flavin Flavin KEGG_COMPOUND flavins IUPAC CHEBI:27272 CHEBI:35167 CHEBI:9929 KEGG:C00754 vanadium oxoanion chebi_ontology Vanadate vanadium oxoanions CHEBI:30528 vanadium oxoanion vanadium oxoanion ChEBI Vanadate KEGG_COMPOUND vanadium oxoanions ChEBI 0 C18H16Sn InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;; NFHRNKANAAGQOH-UHFFFAOYSA-N 351.02964 352.02740 [H][Sn](c1ccccc1)(c1ccccc1)c1ccccc1 Beilstein:3544353 CAS:892-20-6 Gmelin:6741 hydridotriphenyltin triphenylstannane chebi_ontology SnHPh3 [SnHPh3] triphenyltin triphenyltin hydride CHEBI:30537 triphenylstannane Beilstein:3544353 Beilstein CAS:892-20-6 ChemIDplus CAS:892-20-6 NIST Chemistry WebBook Gmelin:6741 Gmelin hydridotriphenyltin IUPAC triphenylstannane IUPAC SnHPh3 IUPAC [SnHPh3] ChEBI triphenyltin ChemIDplus triphenyltin hydride NIST_Chemistry_WebBook A silicon oxide made up of linear triatomic molecules in which a silicon atom is covalently bonded to two oxygens. silicon dioxide http://langual.org 0 O2Si InChI=1S/O2Si/c1-3-2 VYPSYNLAJGMNEJ-UHFFFAOYSA-N 60.08430 59.96676 O=[Si]=O BPDB:2487 CAS:7631-86-9 Codex::551 Drug_Central:4284 Europe::551 Gmelin:200274 KEGG:C19572 MolBase:887 PMID:8991630 PPDB:282 Reaxys:3902804 VSDB:2487 http://www.langual.org/langual_thesaurus.asp?termid=B3237 silicon dioxide silicon(IV) oxide chebi_ontology (SiO2)n Kieselsaeureanhydrid SiO2 Silica, amorphous Siliziumdioxid [SiO2] silica silicic anhydride silicon dioxide, amorphous CHEBI:30563 LanguaL term definition: Food additive; technological purpose(s): anticaking agent. silicon dioxide CAS:7631-86-9 ChemIDplus CAS:7631-86-9 KEGG COMPOUND CAS:7631-86-9 NIST Chemistry WebBook Drug_Central:4284 DrugCentral Gmelin:200274 Gmelin PMID:8991630 Europe PMC Reaxys:3902804 Reaxys silicon dioxide IUPAC silicon(IV) oxide IUPAC (SiO2)n ChEBI Kieselsaeureanhydrid ChEBI SiO2 IUPAC Silica, amorphous KEGG_COMPOUND Siliziumdioxid ChEBI [SiO2] MolBase silica ChEBI silicic anhydride NIST_Chemistry_WebBook An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid. -1 C4H8NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1 BTCSSZJGUNDROE-UHFFFAOYSA-M 102.11186 102.05605 NCCCC([O-])=O CHEBI:11961 CHEBI:20317 Beilstein:3536873 Gmelin:559138 KEGG:C00334 PMID:12509893 Reaxys:3536873 4-aminobutanoate chebi_ontology 4-Amino-butyrat 4-Aminobutylate 4-aminobutanoic acid ion (1-) 4-aminobutyrate gamma-aminobutanoate gamma-aminobutyrate anion CHEBI:30566 gamma-aminobutyrate Beilstein:3536873 Beilstein Gmelin:559138 Gmelin PMID:12509893 Europe PMC Reaxys:3536873 Reaxys 4-aminobutanoate IUPAC 4-Amino-butyrat ChEBI 4-Aminobutylate KEGG_COMPOUND 4-aminobutanoic acid ion (1-) ChEBI 4-aminobutyrate ChEBI gamma-aminobutanoate ChEBI gamma-aminobutyrate anion ChEBI The amino acid zwitterion formed from thyroxine by transfer of a proton from the carboxy group to the amino group. Major species at pH 7.3. 0 C15H11I4NO4 InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23) XUIIKFGFIJCVMT-UHFFFAOYSA-N 776.87000 776.68669 [NH3+]C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O (2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate chebi_ontology 2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate thyroxine CHEBI:305790 thyroxine zwitterion (2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate IUPAC 2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate ChEMBL thyroxine UniProt A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3. -4 C10H12N5O13P3 InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-J 503.14946 502.96664 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O Beilstein:3581767 Gmelin:342798 adenosine 5'-triphosphate(4-) chebi_ontology ATP atp CHEBI:30616 ATP(4-) Beilstein:3581767 Beilstein Gmelin:342798 Gmelin adenosine 5'-triphosphate(4-) IUPAC ATP UniProt atp IUPAC A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid. -2 C2O4 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2 MUBZPKHOEPUJKR-UHFFFAOYSA-L 88.01900 87.98076 [O-]C(=O)C([O-])=O CHEBI:14702 CHEBI:25729 CHEBI:44820 Beilstein:1905970 CAS:338-70-5 Gmelin:2207 KEGG:C00209 PDBeChem:OXL Reaxys:1905970 UM-BBD_compID:c0017 ethanedioate chebi_ontology OXALATE ION ethanedioic acid, ion(2-) ox oxalate CHEBI:30623 oxalate(2-) Beilstein:1905970 Beilstein CAS:338-70-5 ChemIDplus Gmelin:2207 Gmelin Reaxys:1905970 Reaxys UM-BBD_compID:c0017 UM-BBD ethanedioate IUPAC OXALATE ION PDBeChem ethanedioic acid, ion(2-) ChemIDplus ox IUPAC oxalate UniProt 0 MoO3 InChI=1S/Mo.3O JKQOBWVOAYFWKG-UHFFFAOYSA-N 143.93820 145.89015 O=[Mo](=O)=O CAS:1313-27-5 Gmelin:100822 MolBase:526 molybdenum trioxide molybdenum(6+) oxide molybdenum(VI) oxide chebi_ontology MoO3 [MoO3] CHEBI:30627 molybdenum trioxide CAS:1313-27-5 NIST Chemistry WebBook Gmelin:100822 Gmelin molybdenum trioxide IUPAC molybdenum(6+) oxide IUPAC molybdenum(VI) oxide IUPAC MoO3 IUPAC [MoO3] MolBase 0 C4H13N3 InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2 RPNUMPOLZDHAAY-UHFFFAOYSA-N 103.16624 103.11095 NCCNCCN Beilstein:605314 CAS:111-40-0 Gmelin:2392 N-(2-aminoethyl)ethane-1,2-diamine diethylenetriamine chebi_ontology dien CHEBI:30629 diethylenetriamine Beilstein:605314 Beilstein CAS:111-40-0 ChemIDplus CAS:111-40-0 NIST Chemistry WebBook Gmelin:2392 Gmelin N-(2-aminoethyl)ethane-1,2-diamine IUPAC diethylenetriamine IUPAC dien IUPAC An alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group. 0 C4H9NO3 InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8) UKAUYVFTDYCKQA-UHFFFAOYSA-N 119.11920 119.05824 NC(CCO)C(O)=O Beilstein:1721682 CAS:1927-25-9 CAS:498-19-1 PMID:15753300 PMID:17439666 Reaxys:1721682 homoserine chebi_ontology 2-amino-4-hydroxybutanoic acid DL-Homoserine Hse CHEBI:30653 homoserine Beilstein:1721682 Beilstein CAS:1927-25-9 ChemIDplus CAS:498-19-1 ChemIDplus PMID:15753300 Europe PMC PMID:17439666 Europe PMC Reaxys:1721682 Reaxys homoserine IUPAC 2-amino-4-hydroxybutanoic acid IUPAC DL-Homoserine ChemIDplus Hse IUPAC The D-enantiomer of homoserine. 0 C4H9NO3 InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1 UKAUYVFTDYCKQA-GSVOUGTGSA-N 119.11920 119.05824 N[C@H](CCO)C(O)=O Beilstein:1721680 CAS:6027-21-0 MetaCyc:CPD-12255 PMID:20539880 PMID:21048866 PMID:3521530 PMID:7255357 Patent:CN101333175 Patent:JP2008022844 Reaxys:1721680 D-homoserine chebi_ontology (2R)-2-amino-4-hydroxybutanoic acid CHEBI:30654 D-homoserine Beilstein:1721680 Beilstein CAS:6027-21-0 ChemIDplus PMID:20539880 Europe PMC PMID:21048866 Europe PMC PMID:3521530 Europe PMC PMID:7255357 Europe PMC Reaxys:1721680 Reaxys D-homoserine IUPAC (2R)-2-amino-4-hydroxybutanoic acid IUPAC The D-enantiomer of thyroxine. 0 C15H11I4NO4 InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1 XUIIKFGFIJCVMT-GFCCVEGCSA-N 776.87006 776.68669 N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O Beilstein:2954910 CAS:51-49-0 DrugBank:DB00509 Drug_Central:846 PMID:15206581 PMID:20020587 PMID:20483419 PMID:2062236 PMID:21035598 Wikipedia:Dextrothyroxine D-thyroxine chebi_ontology D-T4 DT4 O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine dextrothyroxine CHEBI:30659 D-thyroxine Beilstein:2954910 Beilstein CAS:51-49-0 ChemIDplus Drug_Central:846 DrugCentral PMID:15206581 Europe PMC PMID:20020587 Europe PMC PMID:20483419 Europe PMC PMID:2062236 Europe PMC PMID:21035598 Europe PMC D-thyroxine IUPAC D-T4 ChEBI DT4 ChEBI O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine ChemIDplus dextrothyroxine ChemIDplus An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. 0 C15H11I4NO4 InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23) XUIIKFGFIJCVMT-UHFFFAOYSA-N 776.87006 776.68669 NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O Beilstein:2228514 CAS:300-30-1 PMID:15206581 PMID:24375501 PMID:9824273 thyroxine chebi_ontology 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid DL-Thyroxine O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine Thx CHEBI:30660 thyroxine Beilstein:2228514 Beilstein CAS:300-30-1 ChemIDplus PMID:15206581 Europe PMC PMID:24375501 Europe PMC PMID:9824273 Europe PMC thyroxine IUPAC 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid IUPAC DL-Thyroxine ChemIDplus O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine ChemIDplus Thx IUPAC A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl. 0 C15H15NO4 InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19) KKCIOUWDFWQUBT-UHFFFAOYSA-N 273.28394 273.10011 NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O Beilstein:2947040 CAS:1034-10-2 Gmelin:419747 PMID:15643926 Reaxys:2947040 thyronine chebi_ontology 2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid O-(4-hydroxyphenyl)-DL-tyrosine CHEBI:30661 thyronine Beilstein:2947040 Beilstein CAS:1034-10-2 ChemIDplus Gmelin:419747 Gmelin PMID:15643926 Europe PMC Reaxys:2947040 Reaxys thyronine IUPAC 2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid IUPAC O-(4-hydroxyphenyl)-DL-tyrosine ChemIDplus 0 C5H6 InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2 ZSWFCLXCOIISFI-UHFFFAOYSA-N 66.10114 66.04695 C1C=CC=C1 Beilstein:471171 CAS:542-92-7 Gmelin:1311 cyclopenta-1,3-diene cyclopentadiene chebi_ontology 1,3-cyclopentadiene HCp pentole pyropentylene CHEBI:30664 cyclopentadiene Beilstein:471171 Beilstein CAS:542-92-7 ChemIDplus CAS:542-92-7 NIST Chemistry WebBook Gmelin:1311 Gmelin cyclopenta-1,3-diene IUPAC cyclopentadiene ChemIDplus 1,3-cyclopentadiene NIST_Chemistry_WebBook HCp IUPAC pentole ChemIDplus pyropentylene NIST_Chemistry_WebBook A bis(eta(5)-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferrocenes. 0 C10H10Fe InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H; DFRHTHSZMBROSH-UHFFFAOYSA-N 186.03140 186.01319 C12C3C4C5C1[Fe]23451234C5C1C2C3C45 Beilstein:6609436 CAS:102-54-5 Gmelin:3385 MolBase:740 PMID:17455192 PMID:21270987 PMID:21338333 PMID:21428900 Reaxys:6609436 Wikipedia:Ferrocene bis(eta(5)-cyclopentadienyl)iron bis(eta(5)-cyclopentadienyl)iron(II) ferrocene chebi_ontology Dicyclopentadienyleisen Ferrocen [Fe(eta(5)-C5H5)2] [FeCp2] bis(cyclopentadienyl)iron bis(eta(5)-2,4-cyclopentadien-1-yl)iron biscyclopentadienyliron di(pi-cyclopentadienyl)iron di-2,4-cyclopentadien-1-yliron dicyclopentadienyl iron iron bis(cyclopentadiene) iron bis(cyclopentadienide) iron dicyclopentadienyl CHEBI:30672 ferrocene Beilstein:6609436 Beilstein CAS:102-54-5 ChemIDplus CAS:102-54-5 NIST Chemistry WebBook Gmelin:3385 Gmelin PMID:17455192 Europe PMC PMID:21270987 Europe PMC PMID:21338333 Europe PMC PMID:21428900 Europe PMC Reaxys:6609436 Reaxys bis(eta(5)-cyclopentadienyl)iron IUPAC bis(eta(5)-cyclopentadienyl)iron(II) IUPAC ferrocene ChEBI ferrocene IUPAC Dicyclopentadienyleisen ChEBI Ferrocen ChEBI [Fe(eta(5)-C5H5)2] IUPAC [FeCp2] MolBase bis(cyclopentadienyl)iron NIST_Chemistry_WebBook bis(eta(5)-2,4-cyclopentadien-1-yl)iron NIST_Chemistry_WebBook biscyclopentadienyliron ChemIDplus di(pi-cyclopentadienyl)iron NIST_Chemistry_WebBook di-2,4-cyclopentadien-1-yliron ChemIDplus dicyclopentadienyl iron ChemIDplus iron bis(cyclopentadiene) ChemIDplus iron bis(cyclopentadienide) ChemIDplus iron dicyclopentadienyl ChemIDplus 0 Ru InChI=1S/Ru KJTLSVCANCCWHF-UHFFFAOYSA-N 101.07000 101.90434 [Ru] CAS:7440-18-8 WebElements:Ru ruthenium chebi_ontology 44Ru Ru Ruthenium rutenio ruthenium CHEBI:30682 ruthenium atom CAS:7440-18-8 ChemIDplus CAS:7440-18-8 NIST Chemistry WebBook ruthenium IUPAC 44Ru IUPAC Ru IUPAC Ruthenium ChEBI rutenio ChEBI ruthenium ChEBI 0 Os InChI=1S/Os SYQBFIAQOQZEGI-UHFFFAOYSA-N 190.23000 191.96148 [Os] CAS:7440-04-2 Gmelin:16234 WebElements:Os osmium chebi_ontology 76Os Os osmio osmium CHEBI:30687 osmium atom CAS:7440-04-2 ChemIDplus CAS:7440-04-2 NIST Chemistry WebBook Gmelin:16234 Gmelin osmium IUPAC 76Os IUPAC Os IUPAC osmio ChEBI osmium ChEBI 0 C2H2O 42.03668 42.01056 C1(C(*)(O1)[H])(*)[H] oxirane-2,3-diyl chebi_ontology epoxy CHEBI:30721 epoxy group oxirane-2,3-diyl IUPAC epoxy ChEBI A 1,2-glycol compound produced via reaction of ethylene oxide with water. 0 C2H6O2 InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 LYCAIKOWRPUZTN-UHFFFAOYSA-N 62.06784 62.03678 OCCO CHEBI:21317 CHEBI:42277 CHEBI:5473 Beilstein:505945 CAS:107-21-1 Gmelin:943 KEGG:C01380 KEGG:C15588 KNApSAcK:C00007409 MetaCyc:GLYCOL PDBeChem:EDO PMID:10349109 PMID:15716482 PMID:16901854 PMID:17186009 PMID:17336832 PMID:17439666 PMID:17979222 PMID:18612987 PMID:23764541 PMID:23827374 PMID:24045699 PMID:24643482 PMID:25108762 PMID:9463526 PPDB:1310 Reaxys:505945 UM-BBD_compID:c0542 Wikipedia:Ethylene_Glycol Ethylene glycol ethane-1,2-diol ethylene glycol chebi_ontology 1,2-Dihydroxyethane 1,2-ETHANEDIOL 1,2-Ethanediol 2-Hydroxyethanol Ethanediol Glycol HO-CH2-CH2-OH Monoethylene glycol CHEBI:30742 ethylene glycol Beilstein:505945 Beilstein CAS:107-21-1 ChemIDplus CAS:107-21-1 KEGG COMPOUND CAS:107-21-1 NIST Chemistry WebBook Gmelin:943 Gmelin PMID:10349109 Europe PMC PMID:15716482 Europe PMC PMID:16901854 Europe PMC PMID:17186009 Europe PMC PMID:17336832 Europe PMC PMID:17439666 Europe PMC PMID:17979222 Europe PMC PMID:18612987 Europe PMC PMID:23764541 Europe PMC PMID:23827374 Europe PMC PMID:24045699 Europe PMC PMID:24643482 Europe PMC PMID:25108762 Europe PMC PMID:9463526 Europe PMC Reaxys:505945 Reaxys UM-BBD_compID:c0542 UM-BBD Ethylene glycol KEGG_COMPOUND ethane-1,2-diol IUPAC ethylene glycol IUPAC ethylene glycol UniProt 1,2-Dihydroxyethane NIST_Chemistry_WebBook 1,2-ETHANEDIOL PDBeChem 1,2-Ethanediol KEGG_COMPOUND 2-Hydroxyethanol NIST_Chemistry_WebBook Ethanediol NIST_Chemistry_WebBook Glycol KEGG_COMPOUND HO-CH2-CH2-OH IUPAC Monoethylene glycol NIST_Chemistry_WebBook A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. 0 C8H8O2 InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N 136.14792 136.05243 OC(=O)Cc1ccccc1 CHEBI:25977 CHEBI:44686 CHEBI:8085 Beilstein:1099647 CAS:103-82-2 Drug_Central:4624 ECMDB:ECMDB04128 Gmelin:68976 HMDB:HMDB0000209 KEGG:C07086 KNApSAcK:C00000750 MetaCyc:PHENYLACETATE PDBeChem:PAC PMID:12147706 PMID:12569987 PMID:15057459 PMID:15506622 PMID:15646820 PMID:17622769 PMID:2083978 PMID:24587751 PMID:24631718 PMID:7544181 PMID:7716788 Reaxys:1099647 Wikipedia:Phenylacetic_acid YMDB:YMDB00891 Phenylacetic acid phenylacetic acid chebi_ontology 2-PHENYLACETIC ACID 2-Phenylethanoic acid Benzeneacetic acid Benzylformic acid Omega-Phenylacetic acid PA alpha-toluic acid benzeneacetic acid omega-phenylacetic acid CHEBI:30745 phenylacetic acid Beilstein:1099647 Beilstein CAS:103-82-2 ChemIDplus CAS:103-82-2 KEGG COMPOUND CAS:103-82-2 NIST Chemistry WebBook Drug_Central:4624 DrugCentral Gmelin:68976 Gmelin PMID:12147706 Europe PMC PMID:12569987 Europe PMC PMID:15057459 Europe PMC PMID:15506622 Europe PMC PMID:15646820 Europe PMC PMID:17622769 Europe PMC PMID:2083978 Europe PMC PMID:24587751 Europe PMC PMID:24631718 Europe PMC PMID:7544181 Europe PMC PMID:7716788 Europe PMC Reaxys:1099647 Reaxys Phenylacetic acid KEGG_COMPOUND phenylacetic acid IUPAC 2-PHENYLACETIC ACID PDBeChem 2-Phenylethanoic acid HMDB Benzeneacetic acid KEGG_COMPOUND Benzylformic acid KEGG_COMPOUND Omega-Phenylacetic acid HMDB PA ChEBI alpha-toluic acid NIST_Chemistry_WebBook benzeneacetic acid NIST_Chemistry_WebBook omega-phenylacetic acid HMDB A compound comprising a benzene ring core carrying a carboxylic acid substituent. benzoic acid http://langual.org 0 C7H6O2 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) WPYMKLBDIGXBTP-UHFFFAOYSA-N 122.12130 122.03678 OC(=O)c1ccccc1 CHEBI:22722 CHEBI:3029 CHEBI:41051 Beilstein:636131 CAS:65-85-0 Codex::210 DrugBank:DB03793 Drug_Central:4664 Europe::210 Gmelin:2946 HMDB:HMDB0001870 KEGG:C00180 KEGG:C00539 KEGG:D00038 KNApSAcK:C00000207 LINCS:LSM-37118 MetaCyc:BENZOATE PDBeChem:BEZ PMID:16728954 PMID:17439666 PMID:18314336 PPDB:1475 Reaxys:636131 Wikipedia:Benzoic_Acid YMDB:YMDB02301 http://www.langual.org/langual_thesaurus.asp?termid=B3013 BENZOIC ACID Benzoic acid benzoic acid chebi_ontology Aromatic carboxylic acid Benzenecarboxylic acid Benzeneformic acid Benzenemethanoic acid Benzoesaeure Dracylic acid E210 Phenylcarboxylic acid Phenylformic acid acide benzoique CHEBI:30746 LanguaL term definition: Food additive; technological purpose(s): preservative. benzoic acid Beilstein:636131 Beilstein CAS:65-85-0 ChemIDplus CAS:65-85-0 KEGG COMPOUND CAS:65-85-0 NIST Chemistry WebBook Drug_Central:4664 DrugCentral Gmelin:2946 Gmelin PMID:16728954 Europe PMC PMID:17439666 Europe PMC PMID:18314336 Europe PMC Reaxys:636131 Reaxys BENZOIC ACID PDBeChem Benzoic acid KEGG_COMPOUND benzoic acid IUPAC Aromatic carboxylic acid KEGG_COMPOUND Benzenecarboxylic acid KEGG_COMPOUND Benzeneformic acid HMDB Benzenemethanoic acid HMDB Benzoesaeure ChEBI Dracylic acid KEGG_COMPOUND E210 ChEBI Phenylcarboxylic acid HMDB Phenylformic acid KEGG_COMPOUND acide benzoique ChEBI The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. 0 CH2O2 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) BDAGIHXWWSANSR-UHFFFAOYSA-N 46.02538 46.00548 [H]C(O)=O CHEBI:24082 CHEBI:42460 CHEBI:5145 BPDB:1749 Beilstein:1209246 CAS:64-18-6 DrugBank:DB01942 Gmelin:1008 HMDB:HMDB0000142 KEGG:C00058 KNApSAcK:C00001182 LIPID_MAPS_instance:LMFA01010040 MetaCyc:FORMATE PDBeChem:FMT PMID:12591956 PMID:14637377 PMID:15811469 PMID:16120414 PMID:16185830 PMID:16222862 PMID:16230297 PMID:16445901 PMID:16465784 PMID:18034701 PMID:18397576 PMID:22080171 PMID:22280475 PMID:22304812 PMID:22385261 PMID:22447125 PMID:22483350 PMID:22499553 PMID:22540994 PMID:22606986 PMID:22622393 PMID:3946945 PMID:7361809 Patent:CN101481304 Reaxys:1209246 Wikipedia:Formic_acid FORMIC ACID Formic acid formic acid chebi_ontology Acide formique Ameisensaeure H-COOH HCO2H HCOOH Methanoic acid aminic acid bilorin formylic acid hydrogen carboxylic acid methoic acid CHEBI:30751 formic acid Beilstein:1209246 Beilstein CAS:64-18-6 ChemIDplus CAS:64-18-6 KEGG COMPOUND CAS:64-18-6 NIST Chemistry WebBook Gmelin:1008 Gmelin LIPID_MAPS_instance:LMFA01010040 LIPID MAPS PMID:12591956 Europe PMC PMID:14637377 Europe PMC PMID:15811469 Europe PMC PMID:16120414 Europe PMC PMID:16185830 Europe PMC PMID:16222862 Europe PMC PMID:16230297 Europe PMC PMID:16445901 Europe PMC PMID:16465784 Europe PMC PMID:18034701 Europe PMC PMID:18397576 Europe PMC PMID:22080171 Europe PMC PMID:22280475 Europe PMC PMID:22304812 Europe PMC PMID:22385261 Europe PMC PMID:22447125 Europe PMC PMID:22483350 Europe PMC PMID:22499553 Europe PMC PMID:22540994 Europe PMC PMID:22606986 Europe PMC PMID:22622393 Europe PMC PMID:3946945 Europe PMC PMID:7361809 Europe PMC Reaxys:1209246 Reaxys FORMIC ACID PDBeChem Formic acid KEGG_COMPOUND formic acid IUPAC Acide formique ChemIDplus Ameisensaeure ChemIDplus H-COOH IUPAC HCO2H ChEBI HCOOH NIST_Chemistry_WebBook Methanoic acid KEGG_COMPOUND aminic acid ChemIDplus bilorin ChemIDplus formylic acid ChemIDplus hydrogen carboxylic acid ChemIDplus methoic acid ChEBI A monohydroxybenzoate that is the conjugate base of salicylic acid. -1 C7H5O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1 YGSDEFSMJLZEOE-UHFFFAOYSA-M 137.11280 137.02442 Oc1ccccc1C([O-])=O CHEBI:15061 CHEBI:26595 Beilstein:3605209 CAS:63-36-5 Gmelin:3417 KEGG:C00805 PMID:16669002 PMID:16934829 Reaxys:3605209 UM-BBD_compID:c0043 2-hydroxybenzoate Salicylate salicylate chebi_ontology 2-hydroxybenzoic acid ion(1-) o-hydroxybenzoate sal CHEBI:30762 salicylate Beilstein:3605209 Beilstein CAS:63-36-5 ChemIDplus Gmelin:3417 Gmelin PMID:16669002 Europe PMC PMID:16934829 Europe PMC Reaxys:3605209 Reaxys UM-BBD_compID:c0043 UM-BBD 2-hydroxybenzoate IUPAC Salicylate KEGG_COMPOUND salicylate UniProt 2-hydroxybenzoic acid ion(1-) ChemIDplus o-hydroxybenzoate ChemIDplus sal IUPAC A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. 0 C7H6O3 InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N 138.12074 138.03169 OC(=O)c1ccc(O)cc1 CHEBI:1858 CHEBI:20398 CHEBI:44949 Beilstein:970950 CAS:99-96-7 DrugBank:DB04242 ECMDB:ECMDB00500 Gmelin:3102 HMDB:HMDB0000500 KEGG:C00156 KNApSAcK:C00000856 PDBeChem:PHB PMID:17185273 PMID:22770225 PMID:24128482 PMID:24236566 Reaxys:970950 Wikipedia:4-Hydroxybenzoic_acid YMDB:YMDB00495 4-Hydroxybenzoic acid 4-hydroxybenzoic acid chebi_ontology 4-carboxyphenol P-HYDROXYBENZOIC ACID p-hydroxybenzoic acid p-salicylic acid CHEBI:30763 4-hydroxybenzoic acid Beilstein:970950 Beilstein CAS:99-96-7 ChemIDplus CAS:99-96-7 KEGG COMPOUND CAS:99-96-7 NIST Chemistry WebBook Gmelin:3102 Gmelin PMID:17185273 Europe PMC PMID:22770225 Europe PMC PMID:24128482 Europe PMC PMID:24236566 Europe PMC Reaxys:970950 Reaxys 4-Hydroxybenzoic acid KEGG_COMPOUND 4-hydroxybenzoic acid IUPAC 4-carboxyphenol NIST_Chemistry_WebBook P-HYDROXYBENZOIC ACID PDBeChem p-hydroxybenzoic acid NIST_Chemistry_WebBook p-salicylic acid NIST_Chemistry_WebBook A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. propionic acid http://langual.org 0 C3H6O2 InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) XBDQKXXYIPTUBI-UHFFFAOYSA-N 74.07850 74.03678 CCC(O)=O CHEBI:26304 CHEBI:45227 CHEBI:8476 Beilstein:506071 CAS:79-09-4 Codex::280 DrugBank:DB03766 Europe::280 Gmelin:1821 KEGG:C00163 KEGG:D02310 LIPID_MAPS_instance:LMFA01010003 PDBeChem:PPI PMID:15868474 PMID:1628870 PMID:16763906 PPDB:1341 http://www.langual.org/langual_thesaurus.asp?termid=B3227 Propionic acid propanoic acid propionic acid chebi_ontology CH3-CH2-COOH PA PROPANOIC ACID Propanoic acid Propionsaeure acide propanoique acide propionique carboxyethane ethanecarboxylic acid ethylformic acid metacetonic acid methylacetic acid propioic acid propionic acid propoic acid pseudoacetic acid CHEBI:30768 LanguaL term definition: Food additive; technological purpose(s): preservative. propionic acid propionic acid Beilstein:506071 Beilstein CAS:79-09-4 ChemIDplus CAS:79-09-4 KEGG COMPOUND CAS:79-09-4 NIST Chemistry WebBook Gmelin:1821 Gmelin LIPID_MAPS_instance:LMFA01010003 LIPID MAPS PMID:15868474 Europe PMC PMID:1628870 Europe PMC PMID:16763906 Europe PMC Propionic acid KEGG_COMPOUND propanoic acid IUPAC propionic acid IUPAC CH3-CH2-COOH IUPAC PA ChEBI PROPANOIC ACID PDBeChem Propanoic acid KEGG_COMPOUND Propionsaeure ChEBI acide propanoique ChEBI acide propionique NIST_Chemistry_WebBook carboxyethane ChemIDplus ethanecarboxylic acid ChemIDplus ethylformic acid ChemIDplus metacetonic acid ChemIDplus methylacetic acid ChemIDplus propioic acid LIPID_MAPS propoic acid ChEBI pseudoacetic acid ChemIDplus A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. 0 C4H8O2 InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) FERIUCNNQQJTOY-UHFFFAOYSA-N 88.10510 88.05243 CCCC(O)=O CHEBI:113450 CHEBI:22948 CHEBI:3234 CHEBI:41208 Beilstein:906770 CAS:107-92-6 DrugBank:DB03568 Gmelin:26242 HMDB:HMDB0000039 KEGG:C00246 KNApSAcK:C00001180 LIPID_MAPS_instance:LMFA01010004 MetaCyc:BUTYRIC_ACID PDBeChem:BUA PMID:10736622 PMID:10956204 PMID:11201044 PMID:11208715 PMID:11238216 PMID:11305323 PMID:12068484 PMID:13678314 PMID:14962641 PMID:1542095 PMID:15809727 PMID:15810631 PMID:15938880 PMID:19318247 PMID:19366864 PMID:19703412 PMID:21699495 PMID:22038864 PMID:22194341 PMID:22322557 PMID:22339023 PMID:22466881 Reaxys:906770 Wikipedia:Butyric_acid Butyric acid butanoic acid butyric acid chebi_ontology 1-butanoic acid 1-butyric acid 1-propanecarboxylic acid 4:0 BUTANOIC ACID Butanoate Butanoic acid Buttersaeure C4:0 CH3-[CH2]2-COOH acide butanoique acide butyrique butanic acid butoic acid ethylacetic acid n-butanoic acid n-butyric acid propanecarboxylic acid propylformic acid CHEBI:30772 butyric acid Beilstein:906770 Beilstein CAS:107-92-6 ChemIDplus CAS:107-92-6 KEGG COMPOUND CAS:107-92-6 NIST Chemistry WebBook Gmelin:26242 Gmelin LIPID_MAPS_instance:LMFA01010004 LIPID MAPS PMID:10736622 Europe PMC PMID:10956204 ChEMBL PMID:11201044 Europe PMC PMID:11208715 Europe PMC PMID:11238216 Europe PMC PMID:11305323 Europe PMC PMID:12068484 Europe PMC PMID:13678314 Europe PMC PMID:14962641 Europe PMC PMID:1542095 ChEMBL PMID:15809727 Europe PMC PMID:15810631 Europe PMC PMID:15938880 Europe PMC PMID:19318247 Europe PMC PMID:19366864 Europe PMC PMID:19703412 Europe PMC PMID:21699495 Europe PMC PMID:22038864 Europe PMC PMID:22194341 Europe PMC PMID:22322557 Europe PMC PMID:22339023 Europe PMC PMID:22466881 Europe PMC Reaxys:906770 Reaxys Butyric acid KEGG_COMPOUND butanoic acid IUPAC butyric acid IUPAC 1-butanoic acid HMDB 1-butyric acid HMDB 1-propanecarboxylic acid MetaCyc 4:0 ChEBI BUTANOIC ACID PDBeChem Butanoate KEGG_COMPOUND Butanoic acid KEGG_COMPOUND Buttersaeure ChEBI C4:0 ChEBI CH3-[CH2]2-COOH IUPAC acide butanoique IUPAC acide butyrique ChEBI butanic acid ChEBI butoic acid ChEBI ethylacetic acid NIST_Chemistry_WebBook n-butanoic acid NIST_Chemistry_WebBook n-butyric acid NIST_Chemistry_WebBook propanecarboxylic acid HMDB propylformic acid MetaCyc A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine. 0 C2H3FO2 InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5) QEWYKACRFQMRMB-UHFFFAOYSA-N 78.04242 78.01171 OC(=O)CF CHEBI:24065 CHEBI:5114 Beilstein:1739053 CAS:144-49-0 Gmelin:25730 KEGG:C06108 KNApSAcK:C00001196 PDBeChem:FAH PMID:17141253 PMID:17425556 PMID:18803668 PMID:19069133 PMID:19279811 PMID:21411227 Reaxys:1739053 Wikipedia:Fluoroacetic_acid Fluoroacetic acid fluoroacetic acid chebi_ontology Cymonic acid Gifblaar poison HFA Monofluoressigsaure UN 2642 acide-monofluoracetique monofluoroacetic acid CHEBI:30775 fluoroacetic acid Beilstein:1739053 Beilstein CAS:144-49-0 ChemIDplus CAS:144-49-0 KEGG COMPOUND CAS:144-49-0 NIST Chemistry WebBook Gmelin:25730 Gmelin PMID:17141253 Europe PMC PMID:17425556 Europe PMC PMID:18803668 Europe PMC PMID:19069133 Europe PMC PMID:19279811 Europe PMC PMID:21411227 Europe PMC Reaxys:1739053 Reaxys Fluoroacetic acid KEGG_COMPOUND fluoroacetic acid IUPAC Cymonic acid KEGG_COMPOUND Gifblaar poison KEGG_COMPOUND HFA KEGG_COMPOUND Monofluoressigsaure ChemIDplus UN 2642 KEGG_COMPOUND acide-monofluoracetique ChemIDplus monofluoroacetic acid NIST_Chemistry_WebBook A C6, straight-chain saturated fatty acid. 0 C6H12O2 InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) FUZZWVXGSFPDMH-UHFFFAOYSA-N 116.15830 116.08373 CCCCCC(O)=O CHEBI:24571 CHEBI:40213 CHEBI:5702 Beilstein:773837 CAS:142-62-1 ECMDB:ECMDB21229 Gmelin:185066 HMDB:HMDB0000535 KEGG:C01585 KNApSAcK:C00001218 LIPID_MAPS_instance:LMFA01010006 MetaCyc:HEXANOATE PDBeChem:6NA PMID:10685018 PMID:1556177 PMID:24357269 PMID:24924750 Reaxys:773837 Wikipedia:Hexanoic_acid YMDB:YMDB01424 HEXANOIC ACID Hexanoic acid hexanoic acid chebi_ontology 1-hexanoic acid 1-pentanecarboxylic acid 6:0 C6:0 CH3-[CH2]4-COOH Hexanoate Hexylic acid Pentanecarboxylic acid butylacetic acid caproic acid capronic acid hexoic acid n-Caproic acid n-hexanoic acid n-hexoic acid n-hexylic acid pentiformic acid pentylformic acid CHEBI:30776 hexanoic acid Beilstein:773837 Beilstein CAS:142-62-1 ChemIDplus CAS:142-62-1 KEGG COMPOUND CAS:142-62-1 NIST Chemistry WebBook Gmelin:185066 Gmelin LIPID_MAPS_instance:LMFA01010006 LIPID MAPS PMID:10685018 Europe PMC PMID:1556177 Europe PMC PMID:24357269 Europe PMC PMID:24924750 Europe PMC Reaxys:773837 Reaxys HEXANOIC ACID PDBeChem Hexanoic acid KEGG_COMPOUND hexanoic acid IUPAC 1-hexanoic acid ChemIDplus 1-pentanecarboxylic acid ChemIDplus 6:0 ChEBI C6:0 ChEBI CH3-[CH2]4-COOH IUPAC Hexanoate KEGG_COMPOUND Hexylic acid KEGG_COMPOUND Pentanecarboxylic acid ChemIDplus butylacetic acid ChemIDplus caproic acid ChEBI capronic acid NIST_Chemistry_WebBook hexoic acid NIST_Chemistry_WebBook n-Caproic acid KEGG_COMPOUND n-hexanoic acid NIST_Chemistry_WebBook n-hexoic acid ChemIDplus n-hexylic acid ChemIDplus pentiformic acid ChemIDplus pentylformic acid ChemIDplus A C4-dicarboxylate that is the Z-isomer of but-2-enedioate(2-) -2 C4H2O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1- VZCYOOQTPOCHFL-UPHRSURJSA-L 114.05628 113.99641 [O-]C(=O)\C=C/C([O-])=O CHEBI:14559 CHEBI:25118 Beilstein:3588415 Gmelin:49853 Reaxys:3588415 (2Z)-but-2-enedioate chebi_ontology male maleate CHEBI:30780 maleate(2-) Beilstein:3588415 Beilstein Gmelin:49853 Gmelin Reaxys:3588415 Reaxys (2Z)-but-2-enedioate IUPAC male IUPAC maleate UniProt An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. 0 C3H4O4 InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OFOBLEOULBTSOW-UHFFFAOYSA-N 104.06146 104.01096 OC(=O)CC(O)=O CHEBI:25132 CHEBI:44060 CHEBI:6660 Beilstein:1751370 CAS:141-82-2 DrugBank:DB02175 Gmelin:2550 HMDB:HMDB0000691 KEGG:C00383 KNApSAcK:C00001193 LIPID_MAPS_instance:LMFA01170041 MetaCyc:MALONATE PDBeChem:MLA PMID:22770225 Reaxys:1751370 Wikipedia:Malonic_acid MALONIC ACID Malonic acid propanedioic acid chebi_ontology H2malo HOOC-CH2-COOH Propanedioic acid CHEBI:30794 malonic acid Beilstein:1751370 Beilstein CAS:141-82-2 ChemIDplus CAS:141-82-2 KEGG COMPOUND CAS:141-82-2 NIST Chemistry WebBook Gmelin:2550 Gmelin LIPID_MAPS_instance:LMFA01170041 LIPID MAPS PMID:22770225 Europe PMC Reaxys:1751370 Reaxys MALONIC ACID PDBeChem Malonic acid KEGG_COMPOUND propanedioic acid IUPAC H2malo IUPAC HOOC-CH2-COOH IUPAC Propanedioic acid KEGG_COMPOUND -1 C3H3O4 InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-1 OFOBLEOULBTSOW-UHFFFAOYSA-M 103.05352 103.00368 OC(=O)CC([O-])=O Beilstein:3904186 Gmelin:324637 carboxyacetate chebi_ontology HOOC-CH2-COO(-) Hmalo Malonic acid, conjugate base CHEBI:30795 malonate(1-) Beilstein:3904186 Beilstein Gmelin:324637 Gmelin carboxyacetate IUPAC HOOC-CH2-COO(-) ChEBI Hmalo IUPAC Malonic acid, conjugate base NIST_Chemistry_WebBook A phthalate that is the conjugate base of phthalic acid. -1 C8H5O4 InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1 XNGIFLGASWRNHJ-UHFFFAOYSA-M 165.12290 165.01933 OC(=O)c1ccccc1C([O-])=O Beilstein:1876115 Gmelin:328025 Reaxys:1876115 2-carboxybenzoate chebi_ontology hydrogen phthalate CHEBI:30800 phthalate(1-) Beilstein:1876115 Beilstein Gmelin:328025 Gmelin Reaxys:1876115 Reaxys 2-carboxybenzoate IUPAC hydrogen phthalate ChEBI A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids. 0 C8H6O4 InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) QQVIHTHCMHWDBS-UHFFFAOYSA-N 166.13084 166.02661 OC(=O)c1cccc(c1)C(O)=O Beilstein:1909332 CAS:121-91-5 Gmelin:27618 MetaCyc:CPD0-1267 PMID:24101250 Reaxys:1909332 Wikipedia:Isophthalic_acid benzene-1,3-dicarboxylic acid chebi_ontology IPA m-benzenedicarboxylic acid meta-benzenedicarboxylic acid CHEBI:30802 isophthalic acid Beilstein:1909332 Beilstein CAS:121-91-5 ChemIDplus CAS:121-91-5 NIST Chemistry WebBook Gmelin:27618 Gmelin PMID:24101250 Europe PMC Reaxys:1909332 Reaxys benzene-1,3-dicarboxylic acid IUPAC IPA NIST_Chemistry_WebBook m-benzenedicarboxylic acid NIST_Chemistry_WebBook meta-benzenedicarboxylic acid ChEBI -2 C8H4O4 InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2 QQVIHTHCMHWDBS-UHFFFAOYSA-L 164.11496 164.01206 [O-]C(=O)c1cccc(c1)C([O-])=O Beilstein:3906186 Gmelin:328933 benzene-1,3-dicarboxylate chebi_ontology 1,3-benzenedicarboxylate isophthalate CHEBI:30803 isophthalate(2-) Beilstein:3906186 Beilstein Gmelin:328933 Gmelin benzene-1,3-dicarboxylate IUPAC 1,3-benzenedicarboxylate ChEBI isophthalate IUPAC isophthalate UniProt A dicarboxylic acid monoanion that is the conjugate base of isophthalic acid. -1 C8H5O4 InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1 QQVIHTHCMHWDBS-UHFFFAOYSA-M 165.12290 165.01933 OC(=O)c1cccc(c1)C([O-])=O Gmelin:1947083 MetaCyc:CPD0-1267 3-carboxybenzoate chebi_ontology hydrogen isophthalate CHEBI:30804 isophthalate(1-) Gmelin:1947083 Gmelin 3-carboxybenzoate IUPAC hydrogen isophthalate IUPAC A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil. 0 C12H24O2 InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) POULHZVOKOAJMA-UHFFFAOYSA-N 200.31780 200.17763 CCCCCCCCCCCC(O)=O CHEBI:23864 CHEBI:23865 CHEBI:41882 CHEBI:4680 Beilstein:1099477 CAS:143-07-7 DrugBank:DB03017 Drug_Central:4642 Gmelin:103520 HMDB:HMDB0000638 KEGG:C02679 KNApSAcK:C00001221 LIPID_MAPS_instance:LMFA01010012 MetaCyc:DODECANOATE PDBeChem:DAO PMID:19387482 PMID:26884207 Reaxys:1099477 UM-BBD_compID:c0566 Wikipedia:Lauric_acid Dodecanoic acid dodecanoic acid chebi_ontology 1-undecanecarboxylic acid ABL C12 fatty acid C12:0 CH3-[CH2]10-COOH Coconut oil fatty acids DAO Dodecylcarboxylate Dodecylic acid Duodecyclic acid Duodecylic acid LAURIC ACID Lauric acid Laurinsaeure Laurostearic acid N-dodecanoic acid Undecane-1-carboxylic acid Vulvic acid dodecoic acid lauric acid n-dodecanoic acid CHEBI:30805 dodecanoic acid Beilstein:1099477 Beilstein CAS:143-07-7 ChemIDplus CAS:143-07-7 KEGG COMPOUND CAS:143-07-7 NIST Chemistry WebBook Drug_Central:4642 DrugCentral Gmelin:103520 Gmelin LIPID_MAPS_instance:LMFA01010012 LIPID MAPS PMID:19387482 Europe PMC PMID:26884207 Europe PMC Reaxys:1099477 Reaxys UM-BBD_compID:c0566 UM-BBD Dodecanoic acid KEGG_COMPOUND dodecanoic acid IUPAC 1-undecanecarboxylic acid DrugBank ABL DrugBank C12 fatty acid DrugBank C12:0 ChEBI CH3-[CH2]10-COOH IUPAC Coconut oil fatty acids DrugBank DAO DrugBank Dodecylcarboxylate KEGG_COMPOUND Dodecylic acid DrugBank Duodecyclic acid DrugBank Duodecylic acid DrugBank LAURIC ACID PDBeChem Lauric acid KEGG_COMPOUND Laurinsaeure ChEBI Laurinsaeure DrugBank Laurostearic acid DrugBank N-dodecanoic acid DrugBank Undecane-1-carboxylic acid DrugBank Vulvic acid DrugBank dodecoic acid NIST_Chemistry_WebBook lauric acid ChEBI n-dodecanoic acid NIST_Chemistry_WebBook A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. -1 C14H27O2 InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1 TUNFSRHWOTWDNC-UHFFFAOYSA-M 227.364 227.20165 C(CCCCCCCC)CCCCC([O-])=O CHEBI:35292 Beilstein:3589340 Gmelin:335122 KEGG:C06424 Reaxys:3589340 Tetradecanoate tetradecanoate chebi_ontology 1-tetradecanecarboxylate CH3-[CH2]12-COO(-) myristate n-tetradecan-1-oate n-tetradecoate tetradecoate CHEBI:30807 tetradecanoate Beilstein:3589340 Beilstein Gmelin:335122 Gmelin Reaxys:3589340 Reaxys Tetradecanoate KEGG_COMPOUND tetradecanoate IUPAC tetradecanoate UniProt 1-tetradecanecarboxylate ChEBI CH3-[CH2]12-COO(-) IUPAC myristate ChEBI n-tetradecan-1-oate ChEBI n-tetradecoate ChEBI tetradecoate ChEBI A C10, straight-chain saturated fatty acid. 0 C10H20O2 InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) GHVNFZFCNZKVNT-UHFFFAOYSA-N 172.265 172.14633 C(CCCCCC)CCC(=O)O CHEBI:23572 CHEBI:41906 CHEBI:4347 Beilstein:1754556 CAS:334-48-5 DrugBank:DB03600 ECMDB:ECMDB21204 Gmelin:69184 HMDB:HMDB0000511 KEGG:C01571 KNApSAcK:C00001213 LIPID_MAPS_instance:LMFA01010010 MetaCyc:CPD-3617 PDBeChem:DKA PMID:19168249 PMID:20661498 PMID:24284257 PMID:24357269 YMDB:YMDB00677 DECANOIC ACID Decanoic acid decanoic acid chebi_ontology 1-nonanecarboxylic acid 10:0 C10:0 CH3-[CH2]8-COOH Decanoate Decylic acid Dekansaeure Kaprinsaeure capric acid caprinic acid decoic acid n-Capric acid n-decanoic acid n-decoic acid n-decylic acid CHEBI:30813 decanoic acid Beilstein:1754556 Beilstein CAS:334-48-5 ChemIDplus CAS:334-48-5 KEGG COMPOUND CAS:334-48-5 NIST Chemistry WebBook Gmelin:69184 Gmelin LIPID_MAPS_instance:LMFA01010010 LIPID MAPS PMID:19168249 Europe PMC PMID:20661498 Europe PMC PMID:24284257 Europe PMC PMID:24357269 Europe PMC DECANOIC ACID PDBeChem Decanoic acid KEGG_COMPOUND decanoic acid IUPAC 1-nonanecarboxylic acid ChemIDplus 10:0 ChEBI C10:0 ChEBI CH3-[CH2]8-COOH IUPAC Decanoate KEGG_COMPOUND Decylic acid KEGG_COMPOUND Dekansaeure ChEBI Kaprinsaeure ChEBI capric acid ChEBI caprinic acid NIST_Chemistry_WebBook decoic acid NIST_Chemistry_WebBook n-Capric acid KEGG_COMPOUND n-decanoic acid NIST_Chemistry_WebBook n-decoic acid ChemIDplus n-decylic acid ChemIDplus A C18, long straight-chain monounsaturated fatty acid anion; and the conjugate base of oleic acid, arising from deprotonation of the carboxylic acid group. -1 C18H33O2 InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9- ZQPPMHVWECSIRJ-KTKRTIGZSA-M 281.45342 281.24860 CCCCCCCC\C=C/CCCCCCCC([O-])=O CHEBI:14684 CHEBI:25663 Beilstein:1913148 CAS:115-06-0 Gmelin:344067 PMID:12429352 Reaxys:1913148 (9Z)-octadec-9-enoate chebi_ontology (9Z)-octadecenoate (Z)-9-octadecenoic acid, ion(1-) Oleat cis-9-octadecenoate oleic acid anion CHEBI:30823 oleate Beilstein:1913148 Beilstein CAS:115-06-0 ChemIDplus Gmelin:344067 Gmelin PMID:12429352 Europe PMC Reaxys:1913148 Reaxys (9Z)-octadec-9-enoate IUPAC (9Z)-octadecenoate UniProt (Z)-9-octadecenoic acid, ion(1-) ChemIDplus Oleat ChEBI cis-9-octadecenoate CBN oleic acid anion ChEBI A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom. alcohol http://langual.org 0 HOR 17.007 17.00274 O[*] CHEBI:13804 CHEBI:22288 CHEBI:2553 KEGG:C00069 http://www.langual.org/langual_thesaurus.asp?termid=B3324 Alcohol alcohols chebi_ontology an alcohol CHEBI:30879 alcohol Alcohol KEGG_COMPOUND alcohols IUPAC an alcohol UniProt A naphthalenesulfonic acid in which the sulfo groups are attached to positions 2 and 7 of the naphthalene ring. 0 C10H8O6S2 InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16) VILFVXYKHXVYAB-UHFFFAOYSA-N 288.29892 287.97623 OS(=O)(=O)c1ccc2ccc(cc2c1)S(O)(=O)=O Beilstein:2221087 CAS:92-41-1 Reaxys:2221087 naphthalene-2,7-disulfonic acid chebi_ontology 2,7-naphthalenedisulfonic acid Ebert-Merz alpha-acid naphthalene-2,7-disulphonic acid CHEBI:30898 naphthalene-2,7-disulfonic acid Beilstein:2221087 Beilstein CAS:92-41-1 ChemIDplus Reaxys:2221087 Reaxys naphthalene-2,7-disulfonic acid IUPAC 2,7-naphthalenedisulfonic acid ChemIDplus Ebert-Merz alpha-acid ChEBI naphthalene-2,7-disulphonic acid ChemIDplus A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. 0 C18H14F4N2O4S 430.370 430.06104 CHEBI:91617 Beilstein:5364666 CAS:90357-06-5 DrugBank:DB01128 Drug_Central:367 HMDB:HMDB0015260 KEGG:C08160 KEGG:D00961 LINCS:LSM-1437 PMID:11915584 PMID:12015321 PMID:12017896 PMID:12421104 PMID:12959312 PMID:15509184 PMID:17313204 PMID:18062751 PMID:19194583 PMID:23527766 PMID:30784326 PMID:31099426 Patent:EP100172 Patent:US4636505 Reaxys:5364666 Wikipedia:Bicalutamide rac-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide chebi_ontology (+-)-bicalutamide (RS)-4'-cyano-alpha',alpha',alpha',-trifluoro-3-(4-fluorophenylsulphonyl)-2-hydroxy-2-methylpropiono-m-toluidide (RS)-bicalutamide Bicadex Bical Bicalox Bicamide Bicatlon Bicusan Binabic Bypro Calumid Calutide Calutol Casodex Cosudex ICI 176,334 ICI 176334 ICI-176334 Kalumid Ormandyl bicalutamida bicalutamide bicalutamidum racemic bicalutamide CHEBI:3090 bicalutamide Beilstein:5364666 Beilstein CAS:90357-06-5 ChemIDplus CAS:90357-06-5 NIST Chemistry WebBook Drug_Central:367 DrugCentral PMID:11915584 Europe PMC PMID:12015321 Europe PMC PMID:12017896 Europe PMC PMID:12421104 Europe PMC PMID:12959312 Europe PMC PMID:15509184 Europe PMC PMID:17313204 Europe PMC PMID:18062751 Europe PMC PMID:19194583 Europe PMC PMID:23527766 Europe PMC PMID:30784326 Europe PMC PMID:31099426 Europe PMC Reaxys:5364666 Reaxys rac-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide IUPAC (+-)-bicalutamide ChEBI (RS)-4'-cyano-alpha',alpha',alpha',-trifluoro-3-(4-fluorophenylsulphonyl)-2-hydroxy-2-methylpropiono-m-toluidide ChEBI (RS)-bicalutamide ChEBI Bicadex ChEBI Bical ChEBI Bicalox ChEBI Bicamide ChEBI Bicatlon ChEBI Bicusan ChEBI Binabic ChEBI Bypro ChEBI Calumid ChEBI Calutide LINCS Calutol ChEBI Casodex DrugBank Cosudex LINCS ICI 176,334 ChemIDplus ICI 176334 ChemIDplus ICI-176334 DrugBank Kalumid LINCS Ormandyl ChEBI bicalutamida WHO_MedNet bicalutamide WHO_MedNet bicalutamidum WHO_MedNet racemic bicalutamide ChEBI sorbitol sorbitol as food source sorbitols sorbitols as food source http://langual.org 0 C6H14O6 182.172 182.07904 CHEBI:15093 CHEBI:26724 CHEBI:26726 CHEBI:33795 CHEBI:33796 CHEBI:9201 Beilstein:1721909 Codex::420 Codex::420(i) Europe::420 Gmelin:83165 Wikipedia:Sorbitol http://www.langual.org/langual_thesaurus.asp?termid=B3285 http://www.langual.org/langual_thesaurus.asp?termid=B4427 http://www.langual.org/langual_thesaurus.asp?termid=C0281 glucitol chebi_ontology Sorbitol gulitol rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol sorbitol CHEBI:30911 LanguaL term definition: Food additive; technological purpose(s): bulking agent, humectant, sequestrant, stabilizer, sweetener. glucitol glucitol Beilstein:1721909 Beilstein Gmelin:83165 Gmelin glucitol IUPAC Sorbitol KEGG_COMPOUND gulitol ChEBI rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol IUPAC A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol. 0 C23H22ClF3O2 InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1 OMFRMAHOUUJSGP-IRHGGOMRSA-N 422.86749 422.12604 Cc1c(COC(=O)[C@@H]2[C@H](\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1 Beilstein:8512305 CAS:82657-04-3 KEGG:C10980 PMID:19950221 PMID:20563640 PMID:21104824 PMID:21246035 PMID:21360666 PMID:21370390 PMID:21394881 PMID:21503692 PMID:21520766 PMID:21563678 PMID:21635642 PMID:21718662 PMID:21735922 PMID:21770011 PMID:21819079 (2-methyl-[1,1'-biphenyl]-3-yl)methyl rel-(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate Bifenthrin chebi_ontology Biphenthrin CHEBI:3093 bifenthrin Beilstein:8512305 Beilstein CAS:82657-04-3 ChemIDplus CAS:82657-04-3 KEGG COMPOUND PMID:19950221 Europe PMC PMID:20563640 Europe PMC PMID:21104824 Europe PMC PMID:21246035 Europe PMC PMID:21360666 Europe PMC PMID:21370390 Europe PMC PMID:21394881 Europe PMC PMID:21503692 Europe PMC PMID:21520766 Europe PMC PMID:21563678 Europe PMC PMID:21635642 Europe PMC PMID:21718662 Europe PMC PMID:21735922 Europe PMC PMID:21770011 Europe PMC PMID:21819079 Europe PMC (2-methyl-[1,1'-biphenyl]-3-yl)methyl rel-(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate IUPAC Bifenthrin KEGG_COMPOUND Biphenthrin ChemIDplus 0 C2H7N5 InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7) XNCOSPRUTUOJCJ-UHFFFAOYSA-N 101.11068 101.07015 NC(=N)NC(N)=N Beilstein:507183 CAS:56-03-1 Gmelin:240093 KEGG:C07672 1,2,3-triimidodicarbonic diamide Biguanide biguanide chebi_ontology H2N-C(=NH)-NH-C(=NH)-NH2 Hbig imidodicarbonimidic diamide CHEBI:3095 biguanide Beilstein:507183 Beilstein CAS:56-03-1 ChemIDplus CAS:56-03-1 KEGG COMPOUND Gmelin:240093 Gmelin 1,2,3-triimidodicarbonic diamide IUPAC Biguanide KEGG_COMPOUND biguanide IUPAC H2N-C(=NH)-NH-C(=NH)-NH2 IUPAC Hbig IUPAC imidodicarbonimidic diamide IUPAC A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. 0 C2HCl3O2 InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) YNJBWRMUSHSURL-UHFFFAOYSA-N 163.38624 161.90421 OC(=O)C(Cl)(Cl)Cl CHEBI:27095 CHEBI:9684 Beilstein:970119 CAS:76-03-9 Drug_Central:3627 Gmelin:2842 KEGG:C11150 KEGG:D08633 MetaCyc:CPD-9675 PMID:12573897 PMID:16298895 PMID:16815816 PMID:16901594 PMID:21269351 PMID:21332915 PMID:21457391 PMID:21497335 PMID:21523508 PMID:21529453 PMID:21549800 PMID:21716542 Reaxys:970119 Wikipedia:Trichloroacetic_Acid Trichloroacetic acid trichloroacetic acid chebi_ontology TCA Trichloressigsaeure trichloracetic acid trichloroethanoic acid CHEBI:30956 trichloroacetic acid Beilstein:970119 Beilstein CAS:76-03-9 ChemIDplus CAS:76-03-9 KEGG COMPOUND CAS:76-03-9 NIST Chemistry WebBook Drug_Central:3627 DrugCentral Gmelin:2842 Gmelin PMID:12573897 Europe PMC PMID:16298895 Europe PMC PMID:16815816 Europe PMC PMID:16901594 Europe PMC PMID:21269351 Europe PMC PMID:21332915 Europe PMC PMID:21457391 Europe PMC PMID:21497335 Europe PMC PMID:21523508 Europe PMC PMID:21529453 Europe PMC PMID:21549800 Europe PMC PMID:21716542 Europe PMC Reaxys:970119 Reaxys Trichloroacetic acid KEGG_COMPOUND trichloroacetic acid IUPAC TCA KEGG_COMPOUND TCA NIST_Chemistry_WebBook Trichloressigsaeure ChEBI trichloracetic acid NIST_Chemistry_WebBook trichloroethanoic acid NIST_Chemistry_WebBook 0 C16H12N2O InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+ MRQIXHXHHPWVIL-ISLYRVAYSA-N 248.27936 248.09496 Oc1ccc2ccccc2c1\N=N\c1ccccc1 CAS:842-07-9 KEGG:C19525 1-(phenyldiazenyl)naphthalen-2-ol chebi_ontology 1-(Phenylazo)-2-naphthalenol 1-Phenylazo-2-naphthol 1-phenylazo-beta-naphthol C.I. Solvent Yellow 14 Fast Oil Orange Fast Orange Grasal Orange Soudan I Spirit Orange benzeneazo-beta-naphthol CHEBI:30958 Sudan I CAS:842-07-9 ChemIDplus CAS:842-07-9 KEGG COMPOUND 1-(phenyldiazenyl)naphthalen-2-ol IUPAC 1-(Phenylazo)-2-naphthalenol ChemIDplus 1-Phenylazo-2-naphthol ChemIDplus 1-phenylazo-beta-naphthol ChEBI C.I. Solvent Yellow 14 KEGG_COMPOUND Fast Oil Orange ChemIDplus Fast Orange ChemIDplus Grasal Orange ChemIDplus Soudan I ChemIDplus Spirit Orange ChemIDplus benzeneazo-beta-naphthol ChemIDplus A saturated organic heteromonocyclic parent that is a four-membered ring comprising of three carbon atoms and an oxygen atom. 0 C3H6O InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2 AHHWIHXENZJRFG-UHFFFAOYSA-N 58.07910 58.04186 C1COC1 Beilstein:102382 CAS:503-30-0 Gmelin:239520 PMID:23937240 PMID:24043139 PMID:24715520 Reaxys:102382 Wikipedia:Oxetane oxetane chebi_ontology 1,3-epoxypropane 1,3-propylene oxide 1,3-trimethylene oxide trimethylene oxide CHEBI:30965 oxetane Beilstein:102382 Beilstein CAS:503-30-0 ChemIDplus CAS:503-30-0 NIST Chemistry WebBook Gmelin:239520 Gmelin PMID:23937240 Europe PMC PMID:24043139 Europe PMC PMID:24715520 Europe PMC Reaxys:102382 Reaxys oxetane IUPAC 1,3-epoxypropane NIST_Chemistry_WebBook 1,3-propylene oxide NIST_Chemistry_WebBook 1,3-trimethylene oxide NIST_Chemistry_WebBook trimethylene oxide NIST_Chemistry_WebBook 0 C3H6O2 InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2 CTKINSOISVBQLD-UHFFFAOYSA-N 74.07854 74.03678 [H]C1(CO)CO1 CHEBI:18722 CHEBI:5459 Beilstein:383562 Beilstein:79784 CAS:556-52-5 Gmelin:49490 KEGG:C10920 UM-BBD_compID:c0079 Glycidol oxiran-2-ylmethanol chebi_ontology (RS)-3-hydroxy-1,2-epoxypropane 2,3-epoxy-1-propanol 3-hydroxy-1,2-epoxypropane 3-hydroxypropylene oxide oxiranemethanol CHEBI:30966 glycidol Beilstein:383562 Beilstein Beilstein:79784 Beilstein CAS:556-52-5 ChemIDplus CAS:556-52-5 KEGG COMPOUND CAS:556-52-5 NIST Chemistry WebBook Gmelin:49490 Gmelin UM-BBD_compID:c0079 UM-BBD Glycidol KEGG_COMPOUND oxiran-2-ylmethanol IUPAC (RS)-3-hydroxy-1,2-epoxypropane UM-BBD 2,3-epoxy-1-propanol NIST_Chemistry_WebBook 3-hydroxy-1,2-epoxypropane NIST_Chemistry_WebBook 3-hydroxypropylene oxide NIST_Chemistry_WebBook oxiranemethanol NIST_Chemistry_WebBook 0 C2H5N InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2 NOWKCMXCCJGMRR-UHFFFAOYSA-N 43.06784 43.04220 C1CN1 CHEBI:24004 CHEBI:2954 Beilstein:102380 CAS:151-56-4 Gmelin:616 KEGG:C11687 Aziridine aziridine chebi_ontology EI azacyclopropane dimethyleneimine ethyleneimine ethylenimine CHEBI:30969 aziridine Beilstein:102380 Beilstein CAS:151-56-4 ChemIDplus CAS:151-56-4 KEGG COMPOUND CAS:151-56-4 NIST Chemistry WebBook Gmelin:616 Gmelin Aziridine KEGG_COMPOUND aziridine IUPAC EI NIST_Chemistry_WebBook azacyclopropane NIST_Chemistry_WebBook dimethyleneimine NIST_Chemistry_WebBook ethyleneimine ChemIDplus ethylenimine NIST_Chemistry_WebBook Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration. KEGG:C01558 Bile acid chebi_ontology 5beta-bile acid 5beta-bile acids Bile salt Gallensaeure Gallensaeuren bile acids CHEBI:3098 bile acid Bile acid KEGG_COMPOUND 5beta-bile acid ChEBI 5beta-bile acids ChEBI Bile salt KEGG_COMPOUND Gallensaeure ChEBI Gallensaeuren ChEBI bile acids ChEBI A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'. 0 C10H8N2 InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H MWVTWFVJZLCBMC-UHFFFAOYSA-N 156.18400 156.06875 c1cc(ccn1)-c1ccncc1 Beilstein:113176 CAS:553-26-4 Gmelin:3759 PMID:24022647 PMID:24358992 PMID:24446585 Reaxys:113176 Wikipedia:4,4%27-Bipyridine 4,4'-bipyridine chebi_ontology 4,4'-bipyridyl 4,4'-bpy 4,4'-dipyridine 4,4'-dipyridyl 4,4-Bipyridin 4-(4-pyridyl)pyridine gamma,gamma'-bipyridyl gamma,gamma'-dipyridyl CHEBI:30985 4,4'-bipyridine Beilstein:113176 Beilstein CAS:553-26-4 ChemIDplus CAS:553-26-4 NIST Chemistry WebBook Gmelin:3759 Gmelin PMID:24022647 Europe PMC PMID:24358992 Europe PMC PMID:24446585 Europe PMC Reaxys:113176 Reaxys 4,4'-bipyridine IUPAC 4,4'-bipyridyl ChemIDplus 4,4'-bpy IUPAC 4,4'-dipyridine NIST_Chemistry_WebBook 4,4'-dipyridyl NIST_Chemistry_WebBook 4,4-Bipyridin ChEBI 4-(4-pyridyl)pyridine ChemIDplus gamma,gamma'-bipyridyl NIST_Chemistry_WebBook gamma,gamma'-dipyridyl NIST_Chemistry_WebBook A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals. -1 C5H9O2 InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1 NQPDZGIKBAWPEJ-UHFFFAOYSA-M 101.12376 101.06080 CCCCC([O-])=O CHEBI:14751 CHEBI:25890 Beilstein:3903735 CAS:10023-74-2 Gmelin:325619 PMID:17314444 PMID:18783570 Reaxys:3903735 pentanoate chebi_ontology CH3-[CH2]3-COO(-) n-propylacetate pentanoate pentanoic acid, ion(1-) CHEBI:31011 valerate Beilstein:3903735 Beilstein CAS:10023-74-2 ChemIDplus Gmelin:325619 Gmelin PMID:17314444 Europe PMC PMID:18783570 Europe PMC Reaxys:3903735 Reaxys pentanoate IUPAC CH3-[CH2]3-COO(-) IUPAC n-propylacetate ChEBI pentanoate UniProt pentanoic acid, ion(1-) ChemIDplus A straight-chain saturated fatty acid anion that is the conjugate base of tetracosanoic acid (lignoceric acid), formed by deprotonation of the carboxy group. -1 C24H47O2 InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1 QZZGJDVWLFXDLK-UHFFFAOYSA-M 367.62880 367.35815 CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O Gmelin:373325 MetaCyc:TETRACOSANOATE tetracosanoate chebi_ontology CH3-[CH2]22-COO(-) Lignocerat Tetracosanoat lignocerate n-tetracosanoate tetracosanate tetracosoate tetraeicosanoate CHEBI:31014 tetracosanoate Gmelin:373325 Gmelin tetracosanoate IUPAC tetracosanoate UniProt CH3-[CH2]22-COO(-) IUPAC Lignocerat ChEBI Tetracosanoat ChEBI lignocerate CBN n-tetracosanoate ChEBI tetracosanate ChEBI tetracosoate ChEBI tetraeicosanoate ChEBI An inorganic chloride having ammonium as the counterion. It is used as food additive under the E number E510, working as a yeast nutrient in breadmaking and as an acidifier. It is a feed supplement for cattle and an ingredient in nutritive media for yeasts and many microorganisms. Ammonium chloride is used to spice up dark sweets called salmiak (popular in Nordic and other nearby countries),[18] in baking to give cookies a very crisp texture, and in the liquor Salmiakki Koskenkorva for flavouring. In Iran, Tajikistan, India, Pakistan and Arab countries it is called "Noshader" and is used to improve the crispness of snacks such as samosas and jalebi. [https://en.wikipedia.org/wiki/Ammonium_chloride] 0 Cl.H4N ClH4N InChI=1S/ClH.H3N/h1H;1H3 NLXLAEXVIDQMFP-UHFFFAOYSA-N 53.49120 53.00323 [Cl-].[H][N+]([H])([H])[H] CAS:12125-02-9 Gmelin:10120 KEGG:C12538 KEGG:D01139 Wikipedia:Ammonium_Chloride Ammonium chloride ammonium chloride chebi_ontology Ammoniumchlorid NH4Cl [NH4]Cl azanium chloride CHEBI:31206 ammonium chloride CAS:12125-02-9 ChemIDplus CAS:12125-02-9 KEGG COMPOUND CAS:12125-02-9 NIST Chemistry WebBook Gmelin:10120 Gmelin Ammonium chloride KEGG_COMPOUND ammonium chloride IUPAC Ammoniumchlorid NIST_Chemistry_WebBook NH4Cl IUPAC [NH4]Cl IUPAC azanium chloride ChEBI A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. 0 C11H12N2O InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N 188.22580 188.09496 Cc1cc(=O)n(-c2ccccc2)n1C Beilstein:157775 CAS:60-80-0 DrugBank:DB01435 Drug_Central:861 HMDB:HMDB0015503 KEGG:C13244 KEGG:D01776 LINCS:LSM-3038 PMID:24345239 PMID:25038548 PMID:25435228 PMID:25631541 PMID:26703262 PMID:3425858 Reaxys:157775 Wikipedia:Antipyrine 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one Antipyrine chebi_ontology 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 2,3-Dimethyl-1-phenyl-5-pyrazolone Phenazone fenazona phenazone phenazonum CHEBI:31225 antipyrine Beilstein:157775 Beilstein CAS:60-80-0 ChemIDplus CAS:60-80-0 KEGG COMPOUND CAS:60-80-0 NIST Chemistry WebBook Drug_Central:861 DrugCentral PMID:24345239 Europe PMC PMID:25038548 Europe PMC PMID:25435228 Europe PMC PMID:25631541 Europe PMC PMID:26703262 Europe PMC PMID:3425858 Europe PMC Reaxys:157775 Reaxys 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one IUPAC Antipyrine KEGG_COMPOUND Antipyrine KEGG_DRUG 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one ChemIDplus 2,3-Dimethyl-1-phenyl-5-pyrazolone ChemIDplus Phenazone KEGG_COMPOUND fenazona WHO_MedNet phenazone KEGG_DRUG phenazone WHO_MedNet phenazonum WHO_MedNet The acetate ester of butanol. 0 C6H12O2 InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 DKPFZGUDAPQIHT-UHFFFAOYSA-N 116.15828 116.08373 CCCCOC(C)=O Beilstein:1741921 CAS:123-86-4 Gmelin:240398 KEGG:C12304 PDBeChem:8JZ Butyl acetate butyl acetate chebi_ontology 1-acetoxybutane 1-butyl acetate Butylacetat Butylazetat CH3COO(CH2)3CH3 Essigsaeure-n-butylester Essigsaeurebutylester acetate de butyle acetic acid n-butyl ester acetic acid, butyl ester butyl ester of acetic acid butyl ethanoate n-butyl acetate n-butyl ethanoate CHEBI:31328 butyl acetate Beilstein:1741921 ChemIDplus CAS:123-86-4 ChemIDplus CAS:123-86-4 KEGG COMPOUND CAS:123-86-4 NIST Chemistry WebBook Gmelin:240398 Gmelin Butyl acetate KEGG_COMPOUND butyl acetate IUPAC butyl acetate UniProt 1-acetoxybutane NIST_Chemistry_WebBook 1-butyl acetate NIST_Chemistry_WebBook Butylacetat ChemIDplus Butylazetat ChEBI CH3COO(CH2)3CH3 NIST_Chemistry_WebBook Essigsaeure-n-butylester ChEBI Essigsaeurebutylester ChEBI acetate de butyle ChEBI acetic acid n-butyl ester ChemIDplus acetic acid, butyl ester ChemIDplus butyl ester of acetic acid NIST_Chemistry_WebBook butyl ethanoate NIST_Chemistry_WebBook n-butyl acetate ChemIDplus n-butyl ethanoate NIST_Chemistry_WebBook 0 CaH2O2 H2CaO2 InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2 AXCZMVOFGPJBDE-UHFFFAOYSA-L 74.09268 73.96807 [OH-].[OH-].[Ca++] CAS:1305-62-0 Gmelin:846915 KEGG:C12277 KEGG:D01083 PPDB:110 calcium dihydroxide calcium(2+) hydroxide calcium(II) hydroxide chebi_ontology Ca(OH)2 Calcium hydroxide Kalziumhydroxid Loeschkalk calcium hydrate geloeschter Kalk hydralime hydrated lime slaked lime CHEBI:31341 calcium dihydroxide CAS:1305-62-0 ChemIDplus CAS:1305-62-0 KEGG COMPOUND CAS:1305-62-0 NIST Chemistry WebBook Gmelin:846915 Gmelin calcium dihydroxide IUPAC calcium(2+) hydroxide IUPAC calcium(II) hydroxide IUPAC Ca(OH)2 IUPAC Calcium hydroxide KEGG_COMPOUND Kalziumhydroxid ChEBI Loeschkalk ChEBI calcium hydrate NIST_Chemistry_WebBook geloeschter Kalk ChEBI hydralime ChemIDplus hydrated lime NIST_Chemistry_WebBook slaked lime NIST_Chemistry_WebBook A member of the class of calcium oxides of calcium and oxygen in a 1:1 ratio. calcium oxide http://langual.org Codex::529 Europe::529 http://www.langual.org/langual_thesaurus.asp?termid=B3046 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, dough conditioner, flour treatment agent. calcium oxide calcium sulphate http://langual.org 0 CaO4S O4S.Ca InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 OSGAYBCDTDRGGQ-UHFFFAOYSA-L 136.14160 135.91432 [Ca++].[O-]S([O-])(=O)=O CAS:7778-18-9 Codex::516 Europe::516 KEGG:C13194 KEGG:D09201 http://www.langual.org/langual_thesaurus.asp?termid=B3053 Calcium sulfate calcium sulfate chebi_ontology CaSO4 Kalziumsulfat anhydrous gypsum calcium sulfate, anhydrous calcium sulphate calcium sulfate CHEBI:31346 LanguaL term definition: Food additive; technological purpose(s): firming agent, flour treatment agent, sequestrant, stabilizer. calcium sulfate A platinum coordination entity with cis square-planar geometry in which platinum(II) is coordinated to two ammonia ligands and a bidentate cyclobutane-1,1-dicarboxylate ligand. 0 C6H12N2O4Pt C6H6O4Pt.2H3N InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2 OLESAACUTLOWQZ-UHFFFAOYSA-L 371.256 371.04450 [H][N]([H])([H])[Pt]1(OC(=O)C2(CCC2)C(=O)O1)[N]([H])([H])[H] CHEBI:76407 CAS:41575-94-4 DrugBank:DB00958 Gmelin:1044703 Gmelin:51428 HMDB:HMDB0015093 KEGG:D01363 LINCS:LSM-4265 PDBeChem:QPT PMID:11666286 PMID:14568240 PMID:15896850 PMID:16411667 PMID:17180231 PMID:17497898 PMID:17655933 PMID:18336396 PMID:1855275 PMID:19774597 PMID:21629880 PMID:22525758 PMID:23143236 PMID:23275170 PMID:23396873 PMID:24121332 PMID:25195879 PMID:25195881 PMID:26000441 PMID:26239545 PMID:26327386 PMID:26893290 PMID:28511060 PMID:29632935 PMID:31567140 PMID:31930743 PMID:32072678 PMID:32487607 PMID:32579504 PMID:33052033 PMID:33324858 PMID:33542435 PMID:33716231 PMID:33807309 PMID:33814494 PMID:33829940 PMID:33885718 PMID:9654475 Patent:DE2329485 Reaxys:11327310 Reaxys:11335262 Reaxys:15523471 Wikipedia:Carboplatin (SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O']platinum Carboplatin chebi_ontology Paraplatin carboplatin carboplatine carboplatino carboplatinum cbdca cis-(1,1-cyclobutanedicarboxylato)diammineplatinum(II) cis-diammine(1,1-cyclobutanedicarboxylato)platinum cis-diammine(1,1-cyclobutanedicarboxylato)platinum(II) CHEBI:31355 carboplatin CAS:41575-94-4 ChemIDplus CAS:41575-94-4 KEGG DRUG Gmelin:1044703 Gmelin Gmelin:51428 Gmelin PMID:11666286 Europe PMC PMID:14568240 Europe PMC PMID:15896850 Europe PMC PMID:16411667 Europe PMC PMID:17180231 Europe PMC PMID:17497898 Europe PMC PMID:17655933 Europe PMC PMID:18336396 Europe PMC PMID:1855275 Europe PMC PMID:19774597 Europe PMC PMID:21629880 Europe PMC PMID:22525758 Europe PMC PMID:23143236 Europe PMC PMID:23275170 Europe PMC PMID:23396873 Europe PMC PMID:24121332 Europe PMC PMID:25195879 Europe PMC PMID:25195881 Europe PMC PMID:26000441 Europe PMC PMID:26239545 Europe PMC PMID:26327386 Europe PMC PMID:26893290 Europe PMC PMID:28511060 Europe PMC PMID:29632935 Europe PMC PMID:31567140 Europe PMC PMID:31930743 Europe PMC PMID:32072678 Europe PMC PMID:32487607 Europe PMC PMID:32579504 Europe PMC PMID:33052033 Europe PMC PMID:33324858 Europe PMC PMID:33542435 Europe PMC PMID:33716231 Europe PMC PMID:33807309 Europe PMC PMID:33814494 Europe PMC PMID:33829940 Europe PMC PMID:33885718 Europe PMC PMID:9654475 Europe PMC Reaxys:11327310 Reaxys Reaxys:11335262 Reaxys Reaxys:15523471 Reaxys (SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O']platinum IUPAC Carboplatin KEGG_DRUG Paraplatin ChemIDplus carboplatin WHO_MedNet carboplatine WHO_MedNet carboplatino WHO_MedNet carboplatinum WHO_MedNet cbdca ChemIDplus cis-(1,1-cyclobutanedicarboxylato)diammineplatinum(II) ChemIDplus cis-diammine(1,1-cyclobutanedicarboxylato)platinum ChemIDplus cis-diammine(1,1-cyclobutanedicarboxylato)platinum(II) ChemIDplus The (S)-enantiomer of atenolol. 0 C14H22N2O3 InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1 METKIMKYRPQLGS-LBPRGKRZSA-N 266.33610 266.16304 CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 Beilstein:4234251 CAS:93379-54-5 DrugBank:DB00335 Drug_Central:4702 KEGG:D01471 LINCS:LSM-5562 2-[4-({(2S)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide chebi_ontology (-)-Atenolol (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide (S)-Atenolol 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide esatenolol CHEBI:31556 esatenolol Beilstein:4234251 Beilstein CAS:93379-54-5 ChemIDplus CAS:93379-54-5 KEGG DRUG Drug_Central:4702 DrugCentral 2-[4-({(2S)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide IUPAC (-)-Atenolol ChemIDplus (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide ChemIDplus (S)-Atenolol KEGG_DRUG 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide ChemIDplus S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide ChemIDplus esatenolol KEGG_DRUG An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, 0 C9H10O3 InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 NUVBSKCKDOMJSU-UHFFFAOYSA-N 166.174 166.06299 C(=O)(C1=CC=C(C=C1)O)OCC CHEBI:86616 CAS:120-47-8 Drug_Central:4773 HMDB:HMDB0032573 KEGG:D01647 KNApSAcK:C00033837 PDBeChem:E4B PMID:26901724 PMID:27106519 PMID:27377865 Reaxys:1101972 Wikipedia:Ethylparaben ethyl 4-hydroxybenzoate chebi_ontology 4-hydroxybenzoic acid ethyl ester E-214 E214 Ethyl parahydroxybenzoate ethyl p-hydroxybenzoate ethyl paraben p-Oxybenzoesaeureaethylester p-hydroxybenzoic acid ethyl ester CHEBI:31575 ethylparaben CAS:120-47-8 ChemIDplus CAS:120-47-8 KEGG DRUG CAS:120-47-8 NIST Chemistry WebBook Drug_Central:4773 DrugCentral PMID:26901724 Europe PMC PMID:27106519 Europe PMC PMID:27377865 Europe PMC Reaxys:1101972 Reaxys ethyl 4-hydroxybenzoate IUPAC 4-hydroxybenzoic acid ethyl ester ChemIDplus E-214 ChEBI E214 ChEBI Ethyl parahydroxybenzoate KEGG_DRUG ethyl p-hydroxybenzoate ChemIDplus ethyl paraben ChemIDplus p-Oxybenzoesaeureaethylester ChemIDplus p-hydroxybenzoic acid ethyl ester ChemIDplus Any organic amino compound that is a derivative of ethylenediamine. chebi_ontology ethylenediamine derivatives CHEBI:31577 ethylenediamine derivative ethylenediamine derivatives ChEBI A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5. 0 C20H28I3N3O9 InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33) YLPBXIKWXNRACS-UHFFFAOYSA-N 835.16440 834.89596 CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I CAS:136949-58-1 Drug_Central:1449 KEGG:D01181 PMID:23341290 PMID:24531005 PMID:25238643 Reaxys:8178996 Wikipedia:Iobitridol N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide chebi_ontology N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide CHEBI:31701 iobitridol CAS:136949-58-1 ChemIDplus Drug_Central:1449 DrugCentral PMID:23341290 Europe PMC PMID:24531005 Europe PMC PMID:25238643 Europe PMC Reaxys:8178996 Reaxys N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide IUPAC N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide ChemIDplus A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. 0 C19H26I3N3O9 InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34) NTHXOOBQLCIOLC-UHFFFAOYSA-N 821.13790 820.88031 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I Beilstein:2406632 CAS:66108-95-0 Drug_Central:1461 KEGG:D01817 LINCS:LSM-5095 PMID:15206581 PMID:19359533 PMID:23847035 PMID:24516530 PMID:24752695 Reaxys:2406632 Wikipedia:Iohexol 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide chebi_ontology N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide iohexol iohexolum CHEBI:31709 iohexol Beilstein:2406632 Beilstein CAS:66108-95-0 ChemIDplus CAS:66108-95-0 KEGG DRUG Drug_Central:1461 DrugCentral PMID:15206581 Europe PMC PMID:19359533 Europe PMC PMID:23847035 Europe PMC PMID:24516530 Europe PMC PMID:24752695 Europe PMC Reaxys:2406632 Reaxys 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide ChemIDplus iohexol KEGG_DRUG iohexolum ChemIDplus A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a glycoloyl(methyl)amino group at the 5-position. 0 C17H22I3N3O8 InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31) NJKDOADNQSYQEV-UHFFFAOYSA-N 777.08530 776.85410 CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I Beilstein:8177227 CAS:78649-41-9 Drug_Central:1463 KEGG:D01719 PMID:15206581 Reaxys:8177227 Wikipedia:Iomeprol N,N'-bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide chebi_ontology N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(N-methylglycolamido)isophthalamide iomeprol iomeprolum CHEBI:31710 iomeprol Beilstein:8177227 Beilstein CAS:78649-41-9 ChemIDplus CAS:78649-41-9 KEGG DRUG Drug_Central:1463 DrugCentral PMID:15206581 Europe PMC Reaxys:8177227 Reaxys N,N'-bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide IUPAC N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(N-methylglycolamido)isophthalamide ChemIDplus iomeprol KEGG_DRUG iomeprolum ChemIDplus A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position. 0 C17H22I3N3O8 InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1 XQZXYNRDCRIARQ-LURJTMIESA-N 777.08530 776.85410 C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I CHEBI:75986 Beilstein:6250226 CAS:60166-93-0 Drug_Central:1464 KEGG:D01797 LINCS:LSM-5833 PMID:15206581 PMID:23359781 PMID:23518934 PMID:23608563 PMID:24060817 PMID:24091357 PMID:24570337 Reaxys:6250226 Wikipedia:Iopamidol N,N'-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide chebi_ontology (S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamide L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide) iopamidol iopamidolum CHEBI:31711 iopamidol Beilstein:6250226 Beilstein CAS:60166-93-0 ChemIDplus CAS:60166-93-0 KEGG DRUG Drug_Central:1464 DrugCentral PMID:15206581 Europe PMC PMID:23359781 Europe PMC PMID:23518934 Europe PMC PMID:23608563 Europe PMC PMID:24060817 Europe PMC PMID:24091357 Europe PMC PMID:24570337 Europe PMC Reaxys:6250226 Reaxys N,N'-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC (S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide ChemIDplus L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamide ChemIDplus L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide) ChemIDplus iopamidol ChemIDplus iopamidol WHO_MedNet iopamidolum ChemIDplus The acetate ester of isoamylol. 0 C7H14O2 InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 MLFHJEHSLIIPHL-UHFFFAOYSA-N 130.18486 130.09938 CC(C)CCOC(C)=O Beilstein:1744750 CAS:123-92-2 Gmelin:101452 KEGG:C12296 PMID:15491859 PMID:25626919 Reaxys:1744750 3-methylbutyl acetate Isoamyl acetate chebi_ontology 3-methyl-1-butanol acetate 3-methyl-1-butyl acetate 3-methyl-but-1-yl acetate 3-methylbutyl acetate 3-methylbutyl ethanoate CH3C(O)O(CH2)2CH(CH3)2 Isoamylacetat Isoamylazetat acetate d'isoamyle acetate d'isopentyle acetate de 3-methylbutyle acetic acid, 3-methylbutyl ester acetic acid, isopentyl ester amylacetic ester beta-methyl butyl acetate i-amyl acetate isoamyl ethanoate isopentyl acetate isopentyl ethanoate CHEBI:31725 isoamyl acetate Beilstein:1744750 ChemIDplus CAS:123-92-2 ChemIDplus CAS:123-92-2 KEGG COMPOUND CAS:123-92-2 NIST Chemistry WebBook Gmelin:101452 Gmelin PMID:15491859 Europe PMC PMID:25626919 Europe PMC Reaxys:1744750 Reaxys 3-methylbutyl acetate IUPAC Isoamyl acetate KEGG_COMPOUND 3-methyl-1-butanol acetate NIST_Chemistry_WebBook 3-methyl-1-butyl acetate NIST_Chemistry_WebBook 3-methyl-but-1-yl acetate NIST_Chemistry_WebBook 3-methylbutyl acetate UniProt 3-methylbutyl ethanoate ChemIDplus CH3C(O)O(CH2)2CH(CH3)2 NIST_Chemistry_WebBook Isoamylacetat ChEBI Isoamylazetat ChEBI acetate d'isoamyle ChEBI acetate d'isopentyle ChEBI acetate de 3-methylbutyle ChEBI acetic acid, 3-methylbutyl ester ChemIDplus acetic acid, isopentyl ester ChemIDplus amylacetic ester ChemIDplus beta-methyl butyl acetate NIST_Chemistry_WebBook i-amyl acetate NIST_Chemistry_WebBook isoamyl ethanoate ChemIDplus isopentyl acetate ChemIDplus isopentyl ethanoate ChemIDplus 0 C10H15NO4 InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 VLSMHEGGTFMBBZ-OOZYFLPDSA-N 213.23040 213.10011 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O Beilstein:86660 CAS:487-79-6 Drug_Central:3201 KEGG:C12819 PDBeChem:KAI Patent:GB795750 Patent:US2902492 Patent:US2954384 (3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline Kainic acid chebi_ontology (2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid Digenin Digensaeure Helminal Kainsaeure L-alpha-kainic acid acide kainique acido kainico acidum kainicum alpha- Kainic acid alpha-Kainic acid digenic acid kainic acid CHEBI:31746 kainic acid Beilstein:86660 Beilstein CAS:487-79-6 ChemIDplus CAS:487-79-6 KEGG COMPOUND Drug_Central:3201 DrugCentral (3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline IUPAC Kainic acid KEGG_COMPOUND (2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid ChemIDplus Digenin ChemIDplus Digensaeure ChEBI Helminal ChemIDplus Kainsaeure ChEBI L-alpha-kainic acid ChemIDplus acide kainique ChemIDplus acido kainico ChemIDplus acidum kainicum ChemIDplus alpha- Kainic acid KEGG_COMPOUND alpha-Kainic acid KEGG_COMPOUND digenic acid ChemIDplus kainic acid ChemIDplus A racemate consisting of equimolar concentrations of (R)- and (S)-bromacil. CAS:314-40-9 KEGG:C10911 PMID:19906401 PMID:21953966 PMID:25163558 Patent:CN101597265 Pesticides:bromacil Reaxys:647896 Wikipedia:Bromacil rac-5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione chebi_ontology (RS)-5-bromo-3-sec-butyl-6-methyluracil 5-bromo-6-methyl-3-(1-methyl-N-propyl) 5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione bromazil CHEBI:3177 bromacil CAS:314-40-9 ChemIDplus CAS:314-40-9 KEGG COMPOUND CAS:314-40-9 NIST Chemistry WebBook PMID:19906401 Europe PMC PMID:21953966 Europe PMC PMID:25163558 Europe PMC Pesticides:bromacil Alan Wood's Pesticides Reaxys:647896 Reaxys rac-5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione IUPAC (RS)-5-bromo-3-sec-butyl-6-methyluracil Alan_Wood's_Pesticides 5-bromo-6-methyl-3-(1-methyl-N-propyl) ChEBI 5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione NIST_Chemistry_WebBook bromazil ChemIDplus magnesium oxide http://langual.org Codex::530 Europe::530 http://www.langual.org/langual_thesaurus.asp?termid=B3141 LanguaL term definition: Food additive; technological purpose(s): anticaking agent. magnesium oxide A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. methyl p-hydroxybenzoate http://langual.org Codex::218 Europe::218 http://www.langual.org/langual_thesaurus.asp?termid=B3151 methyl para-hydroxybenzoate LanguaL term definition: Food additive; technological purpose(s): preservative. methylparaben 0 C23H26N2O4 InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 RRKTZKIUPZVBMF-IBTVXLQLSA-N 394.464 COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC CAS:357-57-3 KEGG:C09084 KNApSAcK:C00001695 LINCS:LSM-5758 PPDB:3151 Brucine chebi_ontology CHEBI:3193 brucine CAS:357-57-3 KEGG COMPOUND Brucine KEGG_COMPOUND A polymer composed of repeating acetoxyethylene units. 0 (C4H6O2)n Beilstein:8192148 Beilstein:8757101 CAS:9003-20-7 KEGG:C12282 poly(1-acetoxyethylene) poly(vinyl acetate) chebi_ontology Ethenyl acetate homopolymer PVAc Poly(vinylacetate) Polyvinyl acetate Vinyl acetate polymer CHEBI:32028 poly(vinyl acetate) Beilstein:8192148 Beilstein Beilstein:8757101 Beilstein CAS:9003-20-7 ChemIDplus CAS:9003-20-7 KEGG COMPOUND CAS:9003-20-7 NIST Chemistry WebBook poly(1-acetoxyethylene) IUPAC poly(vinyl acetate) IUPAC Ethenyl acetate homopolymer ChemIDplus PVAc ChEBI Poly(vinylacetate) ChemIDplus Polyvinyl acetate KEGG_COMPOUND Vinyl acetate polymer ChemIDplus potassium hydroxide http://langual.org Codex::525 Europe::525 http://www.langual.org/langual_thesaurus.asp?termid=B3212 LanguaL term definition: Food additive; technological purpose(s): acidity regulator. potassium hydroxide The benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive. propyl p-hydroxybenzoate http://langual.org Codex::216 Europe::216 http://www.langual.org/langual_thesaurus.asp?termid=B3229 propyl para-hydroxybenzoate LanguaL term definition: Food additive; technological purpose(s): preservative. propylparaben A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. saccharin http://langual.org 0 C7H5NO3S InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N 183.18500 182.99901 O=C1NS(=O)(=O)c2ccccc12 CHEBI:49717 Beilstein:6888 CAS:81-07-2 Codex::954(i) Europe::954 Gmelin:4203 HMDB:HMDB0029723 KEGG:D01085 MetaCyc:CPD-5581 PDBeChem:LSA PMID:24456165 PMID:24549104 PMID:24739358 PMID:24780866 Reaxys:6888 Wikipedia:Saccharin http://www.langual.org/langual_thesaurus.asp?termid=B3235 1,2-benzisothiazol-3(2H)-one 1,1-dioxide Saccharin chebi_ontology 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide 1,2-Benzisothiazolin-3-one 1,1-dioxide 1,2-Dihydro-2-ketobenzisosulfonazole 1,2-Dihydro-2-ketobenzisosulphonazole 2,3-Dihydro-3-oxobenzisosulfonazole 2,3-Dihydro-3-oxobenzisosulphonazole 3-Hydroxybenzisothiazole-S,S-dioxide Anhydro-o-sulfaminebenzoic acid Benzo-2-sulphimide Benzoic acid sulfimide Benzoic sulfimide Benzoic sulphimide Benzosulfimide Benzosulphimide Benzoylsulfonic Imide Saccharimide Saccharine o-Benzoic sulfimide o-Benzosulfimide o-Sulfobenzimide o-Sulfobenzoic acid imide CHEBI:32111 LanguaL term definition: Food additive. saccharin Beilstein:6888 Beilstein Beilstein:6888 Beilstein CAS:81-07-2 ChemIDplus CAS:81-07-2 KEGG DRUG CAS:81-07-2 NIST Chemistry WebBook CAS:81-07-2 ChemIDplus CAS:81-07-2 KEGG DRUG CAS:81-07-2 NIST Chemistry WebBook Gmelin:4203 Gmelin Gmelin:4203 Gmelin PMID:24456165 Europe PMC PMID:24456165 Europe PMC PMID:24549104 Europe PMC PMID:24549104 Europe PMC PMID:24739358 Europe PMC PMID:24739358 Europe PMC PMID:24780866 Europe PMC PMID:24780866 Europe PMC Reaxys:6888 Reaxys Reaxys:6888 Reaxys 1,2-benzisothiazol-3(2H)-one 1,1-dioxide IUPAC Saccharin KEGG_DRUG 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one NIST_Chemistry_WebBook 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one NIST_Chemistry_WebBook 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide ChemIDplus 1,2-Benzisothiazolin-3-one 1,1-dioxide NIST_Chemistry_WebBook 1,2-Dihydro-2-ketobenzisosulfonazole ChemIDplus 1,2-Dihydro-2-ketobenzisosulphonazole ChemIDplus 2,3-Dihydro-3-oxobenzisosulfonazole ChemIDplus 2,3-Dihydro-3-oxobenzisosulphonazole ChemIDplus 3-Hydroxybenzisothiazole-S,S-dioxide ChemIDplus Anhydro-o-sulfaminebenzoic acid ChemIDplus Benzo-2-sulphimide ChemIDplus Benzoic acid sulfimide ChemIDplus Benzoic sulfimide ChemIDplus Benzoic sulphimide ChemIDplus Benzosulfimide ChemIDplus Benzosulphimide ChemIDplus Benzoylsulfonic Imide ChemIDplus Saccharimide ChemIDplus Saccharine ChemIDplus o-Benzoic sulfimide ChemIDplus o-Benzosulfimide ChemIDplus o-Sulfobenzimide ChemIDplus o-Sulfobenzoic acid imide ChemIDplus sodium hydroxide http://langual.org 0 HNaO InChI=1S/Na.H2O/h;1H2/q+1;/p-1 HEMHJVSKTPXQMS-UHFFFAOYSA-M 39.99711 39.99251 [OH-].[Na+] CAS:1310-73-2 Codex::524 Europe::524 Gmelin:68430 KEGG:C12569 KEGG:D01169 http://www.langual.org/langual_thesaurus.asp?termid=B3260 Sodium hydroxide sodium hydroxide chebi_ontology Aetznatron NaOH Natriumhydroxid caustic soda hydroxyde de sodium soda lye sodium hydrate soude caustique CHEBI:32145 LanguaL term definition: Food additive; technological purpose(s): acidity regulator. sodium hydroxide sodium hydroxide An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach. 0 ClNaO InChI=1S/ClO.Na/c1-2;/q-1;+1 SUKJFIGYRHOWBL-UHFFFAOYSA-N 74.44200 73.95354 [Na+].[O-]Cl AGR:IND606841968 CAS:7681-52-9 DrugBank:DBSALT001517 FooDB:FDB015395 KEGG:D01711 PMID:19707590 PMID:23011474 PMID:23355285 PMID:23701220 PMID:23710836 PMID:23892500 PMID:24308707 PMID:24331991 PMID:24417739 PMID:24554854 PMID:24554863 PMID:24701613 PMID:24717113 PMID:24784510 PMID:24862721 PMID:30689457 PMID:32336370 PMID:32414067 PPDB:1493 Reaxys:11342986 Wikipedia:Sodium_hypochlorite sodium hypochlorite chebi_ontology Hypochlorite sodium Hypochlorous acid, sodium salt NaClO NaOCl Sodium oxychloride Texant CHEBI:32146 sodium hypochlorite AGR:IND606841968 Europe PMC CAS:7681-52-9 ChemIDplus CAS:7681-52-9 NIST Chemistry WebBook PMID:19707590 Europe PMC PMID:23011474 Europe PMC PMID:23355285 Europe PMC PMID:23701220 Europe PMC PMID:23710836 Europe PMC PMID:23892500 Europe PMC PMID:24308707 Europe PMC PMID:24331991 Europe PMC PMID:24417739 Europe PMC PMID:24554854 Europe PMC PMID:24554863 Europe PMC PMID:24701613 Europe PMC PMID:24717113 Europe PMC PMID:24784510 Europe PMC PMID:24862721 Europe PMC PMID:30689457 Europe PMC PMID:32336370 Europe PMC PMID:32414067 Europe PMC Reaxys:11342986 Reaxys sodium hypochlorite IUPAC Hypochlorite sodium ChemIDplus Hypochlorous acid, sodium salt ChemIDplus NaClO ChemIDplus NaOCl ChemIDplus Sodium oxychloride ChemIDplus Texant KEGG_DRUG sodium sulphate http://langual.org 0 Na2O4S O4S.2Na InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 PMZURENOXWZQFD-UHFFFAOYSA-L 142.04314 141.93127 [Na+].[Na+].[O-]S([O-])(=O)=O CAS:7757-82-6 Codex::514(i) Europe::514 KEGG:C13199 KEGG:D01732 http://www.langual.org/langual_thesaurus.asp?termid=B3275 Sodium sulfate sodium sulfate chebi_ontology Na2SO4 Natriumsulfat disodium sulfate disodium sulphate salt cake sodium sulfate, anhydrous sodium sulphate sodium sulfate CHEBI:32149 LanguaL term definition: Food additive; technological purpose(s): acidity regulator. sodium sulfate sodium sulfate A disaccharide derivative consisting of 4-chloro-4-deoxy-alpha-D-galactopyranose and 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose units linked by a glycosidic bond. sucralose http://langual.org Codex::955 Europe::955 http://www.langual.org/langual_thesaurus.asp?termid=B4430 sucralose (trichlorogalactosucrose) LanguaL term definition: Food additive; technological purpose(s): sweetener. Sucralose is an artificial sweetener. The majority of ingested sucralose is not broken down by the body and therefore it is non-caloric. In the European Union, it is also known under the E number (additive code) E955. Sucralose is approximately 600 times as sweet as sucrose (table sugar), twice as sweet as saccharin, and 3 times as sweet as aspartame. sucralose A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. 0 C12H14N4O4S InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N 310.33012 310.07358 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 Beilstein:306856 CAS:122-11-2 DrugBank:DB06150 Drug_Central:2501 Gmelin:677830 HMDB:HMDB0015621 KEGG:D01142 LINCS:LSM-5790 PMID:11431418 PMID:12038137 PMID:13831481 PMID:13840927 PMID:14435331 PMID:14437387 PMID:16001847 PMID:16390193 PMID:18574183 PMID:19927815 Reaxys:306856 VSDB:1833 Wikipedia:Sulfadimethoxine 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Sulfadimethoxine chebi_ontology 2,4-dimethoxy-6-sulfanilamido-1,3-diazine 2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine 2,6-dimethoxy-4-sulfanilamidopyrimidine 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide 6-sulfanilamido-2,4-dimethoxypyrimidine Abcid (TN) Agribon (TN) N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide Sulfadimethoxydiazine Sulphadimethoxine sulfadimethoxinum sulfadimetoxina CHEBI:32161 sulfadimethoxine Beilstein:306856 Beilstein CAS:122-11-2 ChemIDplus CAS:122-11-2 KEGG DRUG Drug_Central:2501 DrugCentral Gmelin:677830 Gmelin PMID:11431418 Europe PMC PMID:12038137 Europe PMC PMID:13831481 Europe PMC PMID:13840927 Europe PMC PMID:14435331 Europe PMC PMID:14437387 Europe PMC PMID:16001847 Europe PMC PMID:16390193 Europe PMC PMID:18574183 Europe PMC PMID:19927815 Europe PMC Reaxys:306856 Reaxys 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide IUPAC Sulfadimethoxine KEGG_DRUG 2,4-dimethoxy-6-sulfanilamido-1,3-diazine ChemIDplus 2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine ChemIDplus 2,6-dimethoxy-4-sulfanilamidopyrimidine ChemIDplus 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide ChemIDplus 6-sulfanilamido-2,4-dimethoxypyrimidine ChemIDplus Abcid (TN) KEGG_DRUG Agribon (TN) KEGG_DRUG N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide ChemIDplus Sulfadimethoxydiazine ChemIDplus Sulphadimethoxine ChemIDplus sulfadimethoxinum ChemIDplus sulfadimetoxina ChemIDplus talc http://langual.org 0 3Mg.4O3Si 377.250 375.80181 CAS:14807-96-6 Codex::553(iii) Europe::553b KEGG:C12281 KEGG:C19292 KEGG:D01084 http://www.langual.org/langual_thesaurus.asp?termid=B3298 Talc chebi_ontology CHEBI:32178 LanguaL term definition: Food additive; technological purpose(s): anticaking agent, coating agent, dusting agent, surface-finishing agent, texturizing agent. Talc CAS:14807-96-6 KEGG COMPOUND Talc KEGG_COMPOUND An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. 0 C13H18ClNO InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 SNPPWIUOZRMYNY-UHFFFAOYSA-N 239.74086 239.10769 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Beilstein:2101062 CAS:34841-39-9 CAS:34911-55-2 DrugBank:DB01156 Drug_Central:435 HMDB:HMDB0001510 KEGG:C06860 KEGG:D07591 LINCS:LSM-1267 MetaCyc:CPD-3481 PMID:12826985 PMID:15876900 Reaxys:2101062 Wikipedia:Bupropion 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one Bupropion chebi_ontology CHEBI:3219 bupropion Beilstein:2101062 ChemIDplus CAS:34841-39-9 KEGG COMPOUND CAS:34911-55-2 ChemIDplus Drug_Central:435 DrugCentral PMID:12826985 Europe PMC PMID:15876900 Europe PMC Reaxys:2101062 Reaxys 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one IUPAC Bupropion KEGG_COMPOUND A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. titanium dioxide http://langual.org 0 O2Ti InChI=1S/2O.Ti GWEVSGVZZGPLCZ-UHFFFAOYSA-N 79.86580 79.93777 O=[Ti]=O CAS:13463-67-7 Codex::171 Drug_Central:4237 Europe::171 Gmelin:833511 Gmelin:9354 KEGG:C13409 KEGG:D01931 MolBase:272 PMID:29079364 PPDB:1311 Wikipedia:Titanium_Dioxide http://www.langual.org/langual_thesaurus.asp?termid=B3308 Titanium dioxide bis(oxido)titanium titanium dioxide titanium(IV) oxide chebi_ontology E 171 TiO2 Titandioxid Titanium oxide [TiO2] dioxido de titanio dioxyde de titane oxido de titanio(IV) titania titanium(IV) oxide CHEBI:32234 LanguaL term definition: Food additive; technological purpose(s): colour. titanium dioxide CAS:13463-67-7 ChemIDplus CAS:13463-67-7 KEGG COMPOUND CAS:13463-67-7 NIST Chemistry WebBook Drug_Central:4237 DrugCentral Gmelin:833511 Gmelin Gmelin:9354 Gmelin PMID:29079364 Europe PMC Titanium dioxide KEGG_COMPOUND bis(oxido)titanium IUPAC titanium dioxide IUPAC titanium(IV) oxide IUPAC E 171 ChEBI TiO2 IUPAC Titandioxid ChemIDplus Titanium oxide KEGG_COMPOUND [TiO2] MolBase dioxido de titanio ChEBI dioxyde de titane ChEBI oxido de titanio(IV) ChEBI titania ChemIDplus titanium(IV) oxide ChemIDplus An arenesulfonic acid that is phenol substituted by a sulfo group at C-4. 0 C6H6O4S InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10) FEPBITJSIHRMRT-UHFFFAOYSA-N 174.17544 173.99868 Oc1ccc(cc1)S(O)(=O)=O Beilstein:1869034 CAS:98-67-9 KEGG:C12849 KEGG:D01403 Reaxys:1869034 chebi_ontology 4-Sulfophenol Hydroxybenzene-4-sulfonic acid Phenolsulfonic acid Sulfocarbolic acid p-Hydroxybenzenesulfonic acid p-Phenolsulfonic acid p-Sulfophenol p-hydroxybenzenesulfonic acid CHEBI:32354 4-hydroxybenzenesulfonic acid Beilstein:1869034 Beilstein CAS:98-67-9 ChemIDplus CAS:98-67-9 KEGG COMPOUND CAS:98-67-9 NIST Chemistry WebBook Reaxys:1869034 Reaxys 4-Sulfophenol KEGG_COMPOUND Hydroxybenzene-4-sulfonic acid NIST_Chemistry_WebBook Phenolsulfonic acid KEGG_COMPOUND Sulfocarbolic acid NIST_Chemistry_WebBook p-Hydroxybenzenesulfonic acid KEGG_COMPOUND p-Phenolsulfonic acid KEGG_COMPOUND p-Sulfophenol NIST_Chemistry_WebBook p-hydroxybenzenesulfonic acid ChEBI A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity. -1 C9H17O2 InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1 FBUKVWPVBMHYJY-UHFFFAOYSA-M 157.23060 157.12340 CCCCCCCCC([O-])=O Beilstein:3904165 Gmelin:329987 nonanoate chebi_ontology 1-nonanoate 1-octanecarboxylate CH3-[CH2]7-COO(-) n-nonanoate nonoate nonylate pelargate pelargonate pergonate CHEBI:32361 nonanoate Beilstein:3904165 Beilstein Gmelin:329987 Gmelin nonanoate IUPAC nonanoate UniProt 1-nonanoate ChEBI 1-octanecarboxylate ChEBI CH3-[CH2]7-COO(-) IUPAC n-nonanoate ChEBI nonoate ChEBI nonylate ChEBI pelargate ChEBI pelargonate ChEBI pergonate ChEBI A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates. -1 C7H13O2 InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1 MNWFXJYAOYHMED-UHFFFAOYSA-M 129.17692 129.09210 CCCCCCC([O-])=O Beilstein:3903940 CAS:7563-37-3 Gmelin:327115 MetaCyc:CPD-7619 PMID:16141384 Reaxys:3903940 heptanoate chebi_ontology (7:0) 1-hexanecarboxylate CH3-[CH2]5-COO(-) enanthate enanthylate heptanoic acid, ion(1-) heptoate heptylate n-heptanoate n-heptoate n-heptylate oenanthate oenanthylate CHEBI:32362 heptanoate Beilstein:3903940 Beilstein CAS:7563-37-3 ChemIDplus Gmelin:327115 Gmelin PMID:16141384 Europe PMC Reaxys:3903940 Reaxys heptanoate IUPAC heptanoate UniProt (7:0) ChEBI 1-hexanecarboxylate ChEBI CH3-[CH2]5-COO(-) IUPAC enanthate ChEBI enanthylate ChEBI heptanoic acid, ion(1-) ChemIDplus heptoate ChEBI heptylate ChEBI n-heptanoate ChEBI n-heptoate ChEBI n-heptylate ChEBI oenanthate ChEBI oenanthylate ChEBI A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series. 0 C11H22O2 InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) ZDPHROOEEOARMN-UHFFFAOYSA-N 186.29120 186.16198 CCCCCCCCCCC(O)=O Beilstein:1759287 CAS:112-37-8 Gmelin:102992 HMDB:HMDB0000947 KEGG:C17715 LIPID_MAPS_instance:LMFA01010011 PDBeChem:11A PMID:16332663 PMID:1739406 PMID:18516670 Reaxys:1759287 Wikipedia:Undecylic_acid undecanoic acid chebi_ontology 1-decanecarboxylic acid CH3-[CH2]9-COOH Hendecanoic acid UDA Undekansaeure hendecanoic acid n-undecanoic acid n-undecoic acid n-undecylic acid undecoic acid undecylic acid CHEBI:32368 undecanoic acid Beilstein:1759287 Beilstein CAS:112-37-8 ChemIDplus CAS:112-37-8 KEGG COMPOUND CAS:112-37-8 NIST Chemistry WebBook Gmelin:102992 Gmelin LIPID_MAPS_instance:LMFA01010011 LIPID MAPS PMID:16332663 Europe PMC PMID:1739406 Europe PMC PMID:18516670 Europe PMC Reaxys:1759287 Reaxys undecanoic acid IUPAC 1-decanecarboxylic acid ChEBI CH3-[CH2]9-COOH IUPAC Hendecanoic acid KEGG_COMPOUND UDA ChEBI Undekansaeure ChEBI hendecanoic acid ChEBI n-undecanoic acid NIST_Chemistry_WebBook n-undecoic acid NIST_Chemistry_WebBook n-undecylic acid NIST_Chemistry_WebBook undecoic acid ChEBI undecylic acid NIST_Chemistry_WebBook A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3. -1 C11H21O2 InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/p-1 ZDPHROOEEOARMN-UHFFFAOYSA-M 185.28324 185.15470 CCCCCCCCCCC([O-])=O Beilstein:3904444 Gmelin:331364 PMID:1619029 PMID:18852533 PMID:7711892 undecanoate chebi_ontology 1-decanecarboxylate CH3-[CH2]9-COO(-) hendecanoate n-undecanoate n-undecoate n-undecylate undecoate undecylate CHEBI:32369 undecanoate Beilstein:3904444 Beilstein Gmelin:331364 Gmelin PMID:1619029 Europe PMC PMID:18852533 Europe PMC PMID:7711892 Europe PMC undecanoate IUPAC undecanoate UniProt 1-decanecarboxylate ChEBI CH3-[CH2]9-COO(-) IUPAC hendecanoate ChEBI n-undecanoate ChEBI n-undecoate ChEBI n-undecylate ChEBI undecoate ChEBI undecylate ChEBI A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. -1 C20H31O2 InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-15- YZXBAPSDXZZRGB-DOFZRALJSA-M 303.45894 303.23295 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHEBI:13852 CHEBI:22607 Beilstein:5439048 Gmelin:419207 MetaCyc:ARACHIDONIC_ACID PMID:18772128 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate chebi_ontology (20:4n6) (5Z,8Z,11Z,14Z)-eicosatetraenoate CHEBI:32395 arachidonate Beilstein:5439048 Beilstein Gmelin:419207 Gmelin PMID:18772128 Europe PMC (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate IUPAC (20:4n6) ChEBI (5Z,8Z,11Z,14Z)-eicosatetraenoate UniProt A phenolate anion that is the conjugate base of catecholate(1-). -2 C6H4O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-2 YCIMNLLNPGFGHC-UHFFFAOYSA-L 108.09476 108.02223 [O-]c1ccccc1[O-] Beilstein:3904566 Gmelin:325876 Reaxys:3904566 benzene-1,2-diolate chebi_ontology cat catecholate CHEBI:32402 catecholate(2-) Beilstein:3904566 Beilstein Gmelin:325876 Gmelin Reaxys:3904566 Reaxys benzene-1,2-diolate IUPAC cat IUPAC catecholate IUPAC The L-enantiomer of alaninate. -1 C3H6NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m0/s1 QNAYBMKLOCPYGJ-REOHCLBHSA-M 88.08528 88.04040 C[C@H](N)C([O-])=O Beilstein:4126899 Gmelin:324350 L-alaninate chebi_ontology (2S)-2-aminopropanoate L-alanine anion CHEBI:32431 L-alaninate Beilstein:4126899 Beilstein Gmelin:324350 Gmelin L-alaninate IUPAC (2S)-2-aminopropanoate IUPAC L-alanine anion JCBN The L-enantiomer of alaninium. +1 C3H8NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m0/s1 QNAYBMKLOCPYGJ-REOHCLBHSA-O 90.10116 90.05495 C[C@H]([NH3+])C(O)=O Gmelin:362664 L-alaninium chebi_ontology (1S)-1-carboxyethanaminium L-alanine cation CHEBI:32432 L-alaninium Gmelin:362664 Gmelin L-alaninium IUPAC (1S)-1-carboxyethanaminium IUPAC L-alanine cation JCBN The D-enantiomer of alaninate. -1 C3H6NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m1/s1 QNAYBMKLOCPYGJ-UWTATZPHSA-M 88.08528 88.04040 C[C@@H](N)C([O-])=O Beilstein:4781244 Gmelin:745914 D-alaninate chebi_ontology (2R)-2-aminopropanoate D-alanine anion CHEBI:32435 D-alaninate Beilstein:4781244 Beilstein Gmelin:745914 Gmelin D-alaninate IUPAC (2R)-2-aminopropanoate IUPAC D-alanine anion JCBN An alaninium that is the conjugate acid of D-alanine. +1 C3H8NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m1/s1 QNAYBMKLOCPYGJ-UWTATZPHSA-O 90.10116 90.05495 C[C@@H]([NH3+])C(O)=O D-alaninium chebi_ontology (1R)-1-carboxyethanaminium D-alanine cation CHEBI:32436 D-alaninium D-alaninium IUPAC (1R)-1-carboxyethanaminium IUPAC D-alanine cation JCBN An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group. -1 C3H6NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1 QNAYBMKLOCPYGJ-UHFFFAOYSA-M 88.08528 88.04040 CC(N)C([O-])=O Beilstein:3903719 Gmelin:101040 2-aminopropanoate alaninate chebi_ontology alanine anion CHEBI:32439 alaninate Beilstein:3903719 Beilstein Gmelin:101040 Gmelin 2-aminopropanoate IUPAC alaninate JCBN alanine anion JCBN An alpha-amino-acid cation that is the conjugate acid of alanine. +1 C3H8NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1 QNAYBMKLOCPYGJ-UHFFFAOYSA-O 90.10116 90.05495 CC([NH3+])C(O)=O Gmelin:362663 1-carboxyethanaminium alaninium chebi_ontology alanine cation CHEBI:32440 alaninium Gmelin:362663 Gmelin 1-carboxyethanaminium IUPAC alaninium JCBN alanine cation JCBN The L-enantiomer of cysteinate(1-). -1 C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-M 120.15128 120.01247 N[C@@H](CS)C([O-])=O Beilstein:4128886 Gmelin:325857 Reaxys:4128886 L-cysteinate(1-) hydrogen L-cysteinate chebi_ontology (2R)-2-amino-3-mercaptopropanoate (2R)-2-amino-3-sulfanylpropanoate L-cysteine anion L-cysteine monoanion CHEBI:32442 L-cysteinate(1-) Beilstein:4128886 Beilstein Gmelin:325857 Gmelin Reaxys:4128886 Reaxys L-cysteinate(1-) JCBN hydrogen L-cysteinate IUPAC (2R)-2-amino-3-mercaptopropanoate ChEBI (2R)-2-amino-3-sulfanylpropanoate IUPAC L-cysteine anion NIST_Chemistry_WebBook L-cysteine monoanion JCBN The L-enantiomer of cysteinate(2-). -2 C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-L 119.14334 119.00520 N[C@@H](C[S-])C([O-])=O Beilstein:5921923 Gmelin:325856 Reaxys:5921923 L-cysteinate L-cysteinate(2-) chebi_ontology (2R)-2-amino-3-sulfidopropanoate L-cysteine dianion CHEBI:32443 L-cysteinate(2-) Beilstein:5921923 Beilstein Gmelin:325856 Gmelin Reaxys:5921923 Reaxys L-cysteinate IUPAC L-cysteinate(2-) JCBN (2R)-2-amino-3-sulfidopropanoate IUPAC L-cysteine dianion JCBN The L-enantiomer of cysteinium. +1 C3H8NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-O 122.16716 122.02703 [NH3+][C@@H](CS)C(O)=O Gmelin:325860 L-cysteinium chebi_ontology (1R)-1-carboxy-2-mercaptoethanaminium (1R)-1-carboxy-2-sulfanylethanaminium L-cysteine cation L-cysteinium(1+) CHEBI:32445 L-cysteinium Gmelin:325860 Gmelin L-cysteinium IUPAC (1R)-1-carboxy-2-mercaptoethanaminium ChEBI (1R)-1-carboxy-2-sulfanylethanaminium IUPAC L-cysteine cation JCBN L-cysteinium(1+) ChEBI The D-enantiomer of cysteinate(1-). -1 C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-M 120.15128 120.01247 N[C@H](CS)C([O-])=O Gmelin:1006156 D-cysteinate(1-) hydrogen D-cysteinate chebi_ontology (2S)-2-amino-3-mercaptopropanoate (2S)-2-amino-3-sulfanylpropanoate D-cysteine monoanion CHEBI:32449 D-cysteinate(1-) Gmelin:1006156 Gmelin D-cysteinate(1-) JCBN hydrogen D-cysteinate IUPAC (2S)-2-amino-3-mercaptopropanoate ChEBI (2S)-2-amino-3-sulfanylpropanoate IUPAC D-cysteine monoanion JCBN An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid. 0 C7H12O2 InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3 CQEYYJKEWSMYFG-UHFFFAOYSA-N 128.16898 128.08373 CCCCOC(=O)C=C CAS:141-32-2 KEGG:C10921 PMID:23970461 PMID:24415829 Reaxys:1749970 Butyl acrylate butyl acrylate butyl prop-2-enoate chebi_ontology Acrylic acid butyl ester n-Butyl acrylate n-Butyl propenoate CHEBI:3245 butyl acrylate CAS:141-32-2 KEGG COMPOUND CAS:141-32-2 NIST Chemistry WebBook PMID:23970461 Europe PMC PMID:24415829 Europe PMC Reaxys:1749970 Reaxys Butyl acrylate KEGG_COMPOUND butyl acrylate IUPAC butyl prop-2-enoate IUPAC Acrylic acid butyl ester NIST_Chemistry_WebBook n-Butyl acrylate ChemIDplus n-Butyl propenoate ChemIDplus The D-enantiomer of cysteinate(2-). -2 C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-L 119.14334 119.00520 N[C@H](C[S-])C([O-])=O Gmelin:1342792 D-cysteinate D-cysteinate(2-) chebi_ontology (2S)-2-amino-3-sulfidopropanoate D-cysteine dianion CHEBI:32450 D-cysteinate(2-) Gmelin:1342792 Gmelin D-cysteinate IUPAC D-cysteinate(2-) JCBN (2S)-2-amino-3-sulfidopropanoate IUPAC D-cysteine dianion JCBN The D-enantiomer of cysteinium. +1 C3H8NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-O 122.16716 122.02703 [NH3+][C@H](CS)C(O)=O Gmelin:363237 D-cysteinium chebi_ontology (1S)-1-carboxy-2-mercaptoethanaminium (1S)-1-carboxy-2-sulfanylethanaminium D-cysteine cation CHEBI:32451 D-cysteinium Gmelin:363237 Gmelin D-cysteinium IUPAC (1S)-1-carboxy-2-mercaptoethanaminium ChEBI (1S)-1-carboxy-2-sulfanylethanaminium IUPAC D-cysteine cation JCBN A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group. -1 C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1 XUJNEKJLAYXESH-UHFFFAOYSA-M 120.15128 120.01247 NC(CS)C([O-])=O Beilstein:4128885 Gmelin:363235 Reaxys:4128885 cysteinate(1-) hydrogen cysteinate chebi_ontology 2-amino-3-mercaptopropanoate 2-amino-3-sulfanylpropanoate cys(-) cysteine monoanion CHEBI:32456 cysteinate(1-) Beilstein:4128885 Beilstein Gmelin:363235 Gmelin Reaxys:4128885 Reaxys cysteinate(1-) JCBN hydrogen cysteinate IUPAC 2-amino-3-mercaptopropanoate ChEBI 2-amino-3-sulfanylpropanoate IUPAC cys(-) IUPAC cysteine monoanion JCBN -2 C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2 XUJNEKJLAYXESH-UHFFFAOYSA-L 119.14334 119.00520 NC(C[S-])C([O-])=O Gmelin:49990 cysteinate cysteinate(2-) chebi_ontology 2-amino-3-sulfidopropanoate cysteine dianion CHEBI:32457 cysteinate(2-) Gmelin:49990 Gmelin cysteinate IUPAC cysteinate(2-) JCBN 2-amino-3-sulfidopropanoate IUPAC cysteine dianion JCBN +1 C3H8NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1 XUJNEKJLAYXESH-UHFFFAOYSA-O 122.16716 122.02703 [NH3+]C(CS)C(O)=O Gmelin:325859 1-carboxy-2-sulfanylethanaminium cysteinium chebi_ontology 1-carboxy-2-mercaptoethanaminium H2cys(+) cysteine cation CHEBI:32458 cysteinium Gmelin:325859 Gmelin 1-carboxy-2-sulfanylethanaminium IUPAC cysteinium JCBN 1-carboxy-2-mercaptoethanaminium ChEBI H2cys(+) IUPAC cysteine cation JCBN An optically active form of phenylalaninate having L-configuration. -1 C9H10NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m0/s1 COLNVLDHVKWLRT-QMMMGPOBSA-M 164.18120 164.07170 N[C@@H](Cc1ccccc1)C([O-])=O Beilstein:4136718 Gmelin:329084 PMID:21956539 Reaxys:4136718 L-phenylalaninate chebi_ontology (2S)-2-amino-3-phenylpropanoate L-phenylalanine anion CHEBI:32486 L-phenylalaninate Beilstein:4136718 Beilstein Gmelin:329084 Gmelin PMID:21956539 Europe PMC Reaxys:4136718 Reaxys L-phenylalaninate IUPAC (2S)-2-amino-3-phenylpropanoate IUPAC L-phenylalanine anion JCBN An optically active form of phenylalaninium having L-configuration. +1 C9H12NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m0/s1 COLNVLDHVKWLRT-QMMMGPOBSA-O 166.19710 166.08626 [NH3+][C@@H](Cc1ccccc1)C(O)=O PMID:21956539 L-phenylalaninium chebi_ontology (1S)-1-carboxy-2-phenylethanaminium L-phenylalanine cation CHEBI:32487 L-phenylalaninium PMID:21956539 Europe PMC L-phenylalaninium IUPAC (1S)-1-carboxy-2-phenylethanaminium IUPAC L-phenylalanine cation JCBN The D-enantiomer of phenylalaninate. -1 C9H10NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m1/s1 COLNVLDHVKWLRT-MRVPVSSYSA-M 164.18120 164.07170 N[C@H](Cc1ccccc1)C([O-])=O Beilstein:5740552 Gmelin:746993 D-phenylalaninate chebi_ontology (2R)-2-amino-3-phenylpropanoate D-phenylalanine anion CHEBI:32494 D-phenylalaninate Beilstein:5740552 Beilstein Gmelin:746993 Gmelin D-phenylalaninate IUPAC (2R)-2-amino-3-phenylpropanoate IUPAC D-phenylalanine anion JCBN An optically active form of phenylalaninium having D-configuration. +1 C9H12NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m1/s1 COLNVLDHVKWLRT-MRVPVSSYSA-O 166.19710 166.08626 [NH3+][C@H](Cc1ccccc1)C(O)=O D-phenylalaninium chebi_ontology (1R)-1-carboxy-2-phenylethanaminium D-phenylalanine cation CHEBI:32495 D-phenylalaninium D-phenylalaninium IUPAC (1R)-1-carboxy-2-phenylethanaminium IUPAC D-phenylalanine cation JCBN A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur. 0 C2H5NS InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4) YUKQRDCYNOVPGJ-UHFFFAOYSA-N 75.13384 75.01427 CC(N)=S Beilstein:506006 CAS:62-55-5 KEGG:C19302 PMID:20138653 PMID:20534638 PMID:20931291 PMID:21182490 PMID:21455425 PMID:21489598 PMID:21647311 PMID:21699073 PMID:21733084 PMID:21733883 PMID:21749370 Reaxys:506006 Wikipedia:Thioacetamide ethanethioamide chebi_ontology Acetothioamide TAA Thiacetamide Thioacetimidic acid Thioactamide acetic acid thioamide methylthioamide CHEBI:32497 thioacetamide Beilstein:506006 Beilstein CAS:62-55-5 ChemIDplus CAS:62-55-5 KEGG COMPOUND CAS:62-55-5 NIST Chemistry WebBook PMID:20138653 Europe PMC PMID:20534638 Europe PMC PMID:20931291 Europe PMC PMID:21182490 Europe PMC PMID:21455425 Europe PMC PMID:21489598 Europe PMC PMID:21647311 Europe PMC PMID:21699073 Europe PMC PMID:21733084 Europe PMC PMID:21733883 Europe PMC PMID:21749370 Europe PMC Reaxys:506006 Reaxys ethanethioamide IUPAC Acetothioamide ChemIDplus TAA NIST_Chemistry_WebBook Thiacetamide ChemIDplus Thioacetimidic acid ChemIDplus Thioactamide NIST_Chemistry_WebBook acetic acid thioamide ChEBI methylthioamide ChEBI An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group. -1 C9H10NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1 COLNVLDHVKWLRT-UHFFFAOYSA-M 164.18120 164.07170 NC(Cc1ccccc1)C([O-])=O Gmelin:329083 phenylalaninate chebi_ontology 2-amino-3-phenylpropanoate phenylalanine anion CHEBI:32504 phenylalaninate Gmelin:329083 Gmelin phenylalaninate IUPAC 2-amino-3-phenylpropanoate IUPAC phenylalanine anion JCBN An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group. +1 C9H12NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1 COLNVLDHVKWLRT-UHFFFAOYSA-O 166.19710 166.08626 [NH3+]C(Cc1ccccc1)C(O)=O phenylalaninium chebi_ontology 1-carboxy-2-phenylethanaminium phenylalanine cation CHEBI:32505 phenylalaninium phenylalaninium IUPAC 1-carboxy-2-phenylethanaminium IUPAC phenylalanine cation JCBN An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. 0 C13H14N2 InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2 YBRVSVVVWCFQMG-UHFFFAOYSA-N 198.26374 198.11570 Nc1ccc(Cc2ccc(N)cc2)cc1 CHEBI:234513 Beilstein:474706 CAS:101-77-9 HMDB:HMDB0041808 KEGG:C14288 PMID:17061110 PMID:17482318 PMID:18844695 PMID:22393703 PMID:2607764 PMID:7265110 PMID:9022650 PPDB:1640 Reaxys:474706 Wikipedia:4,4'-Methylenedianiline 4,4'-Diaminodiphenylmethane 4,4'-methylenedianiline chebi_ontology 4,4'-Diphenylmethanediamine 4,4'-Methylenebis(benzeneamine) 4,4'-methylenedianiline 4-(4-aminobenzyl)aniline Bis(4-aminophenyl)methane Bis(p-aminophenyl)methane DADPM DAPM DDM Dianilinomethane alpha-(p-aminophenyl)-p-toluidine bis-p-aminophenylmethane di-(4-aminophenyl)methane di-(p-aminophenyl)methane p,p'-Diaminodiphenylmethane p,p'-Methylenedianiline CHEBI:32506 4,4'-diaminodiphenylmethane Beilstein:474706 Beilstein CAS:101-77-9 ChemIDplus CAS:101-77-9 KEGG COMPOUND CAS:101-77-9 NIST Chemistry WebBook PMID:17061110 Europe PMC PMID:17482318 ChEMBL PMID:18844695 Europe PMC PMID:22393703 Europe PMC PMID:2607764 Europe PMC PMID:7265110 ChEMBL PMID:9022650 Europe PMC Reaxys:474706 Reaxys 4,4'-Diaminodiphenylmethane ChemIDplus 4,4'-Diaminodiphenylmethane KEGG_COMPOUND 4,4'-methylenedianiline IUPAC 4,4'-Diphenylmethanediamine ChemIDplus 4,4'-Methylenebis(benzeneamine) ChemIDplus 4,4'-methylenedianiline ChEMBL 4-(4-aminobenzyl)aniline ChEMBL Bis(4-aminophenyl)methane ChemIDplus Bis(p-aminophenyl)methane ChemIDplus DADPM NIST_Chemistry_WebBook DAPM NIST_Chemistry_WebBook DDM NIST_Chemistry_WebBook Dianilinomethane ChemIDplus alpha-(p-aminophenyl)-p-toluidine NIST_Chemistry_WebBook bis-p-aminophenylmethane ChEBI di-(4-aminophenyl)methane ChEBI di-(p-aminophenyl)methane ChEBI p,p'-Diaminodiphenylmethane ChemIDplus p,p'-Methylenedianiline ChemIDplus An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino. +1 C2H6NO2 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1 DHMQDGOQFOQNFH-UHFFFAOYSA-O 76.07458 76.03930 [NH3+]CC(O)=O Gmelin:323509 glycinium chebi_ontology H2gly(+) NH3(+)-CH2-COOH carboxymethanaminium glycine cation CHEBI:32507 glycinium Gmelin:323509 Gmelin glycinium IUPAC H2gly(+) IUPAC NH3(+)-CH2-COOH IUPAC carboxymethanaminium IUPAC glycine cation JCBN An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group. -1 C2H4NO2 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1 DHMQDGOQFOQNFH-UHFFFAOYSA-M 74.05870 74.02475 NCC([O-])=O Beilstein:1852023 Gmelin:81890 Reaxys:1852023 UM-BBD_compID:c0559 glycinate chebi_ontology H2N-CH2-COO(-) aminoacetate gly(-) glycine anion CHEBI:32508 glycinate Beilstein:1852023 Beilstein Gmelin:81890 Gmelin Reaxys:1852023 Reaxys UM-BBD_compID:c0559 UM-BBD glycinate IUPAC H2N-CH2-COO(-) IUPAC aminoacetate IUPAC gly(-) IUPAC glycine anion JCBN -1 C6H8N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1 HNDVDQJCIGZPNO-UHFFFAOYSA-M 154.14660 154.06220 NC(Cc1c[nH]cn1)C([O-])=O Beilstein:3959092 Gmelin:364417 histidinate(1-) hydrogen histidinate chebi_ontology 2-amino-3-(1H-imidazol-4-yl)propanoate histidine anion CHEBI:32529 histidinate(1-) Beilstein:3959092 Beilstein Gmelin:364417 Gmelin histidinate(1-) JCBN hydrogen histidinate IUPAC 2-amino-3-(1H-imidazol-4-yl)propanoate IUPAC histidine anion JCBN -2 C6H7N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,9,10,11)/p-2 TWRZMXZXJKNOLO-UHFFFAOYSA-L 153.13880 153.05492 NC(Cc1c[n-]cn1)C([O-])=O histidinate histidinate(2-) chebi_ontology 2-amino-3-imidazol-1-id-4-ylpropanoate histidine dianion CHEBI:32530 histidinate(2-) histidinate IUPAC histidinate(2-) JCBN 2-amino-3-imidazol-1-id-4-ylpropanoate IUPAC histidine dianion JCBN +1 C6H10N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1 HNDVDQJCIGZPNO-UHFFFAOYSA-O 156.16262 156.07675 [NH3+]C(Cc1c[nH]c[nH+]1)C([O-])=O histidinium histidinium(1+) chebi_ontology 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate histidine monocation CHEBI:32531 histidinium(1+) histidinium IUPAC histidinium(1+) JCBN 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate IUPAC histidine monocation JCBN +2 C6H11N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2 HNDVDQJCIGZPNO-UHFFFAOYSA-P 157.17056 157.08403 [NH3+]C(Cc1c[nH]c[nH+]1)C(O)=O Gmelin:1151904 histidinediium histidinium(2+) chebi_ontology 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium histidine dication CHEBI:32532 histidinium(2+) Gmelin:1151904 Gmelin histidinediium IUPAC histidinium(2+) JCBN 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium IUPAC histidine dication JCBN A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. -1 C6H4NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1 PVNIIMVLHYAWGP-UHFFFAOYSA-M 122.10150 122.02475 [O-]C(=O)c1cccnc1 CHEBI:14650 CHEBI:22851 CHEBI:25530 Beilstein:3539722 Gmelin:327384 MetaCyc:NIACINE PMID:17190852 PMID:21742010 PMID:21953179 Reaxys:3539722 nicotinate pyridine-3-carboxylate chebi_ontology 3-pyridinecarboxylate CHEBI:32544 nicotinate Beilstein:3539722 Beilstein Gmelin:327384 Gmelin PMID:17190852 Europe PMC PMID:21742010 Europe PMC PMID:21953179 Europe PMC Reaxys:3539722 Reaxys nicotinate UniProt pyridine-3-carboxylate IUPAC 3-pyridinecarboxylate ChEBI An optically active form of lysinate having L-configuration. -1 C6H13N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-M 145.17970 145.09825 NCCCC[C@H](N)C([O-])=O Beilstein:4383108 Gmelin:327969 Reaxys:4383108 L-lysinate chebi_ontology (2S)-2,6-diaminohexanoate L-lysinate(1-) L-lysine anion CHEBI:32550 L-lysinate Beilstein:4383108 Beilstein Gmelin:327969 Gmelin Reaxys:4383108 Reaxys L-lysinate IUPAC (2S)-2,6-diaminohexanoate IUPAC L-lysinate(1-) ChEBI L-lysine anion JCBN An optically active form of lysinium having L-configuration. +1 C6H15N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-O 147.19558 147.11280 [NH3+]CCCC[C@H]([NH3+])C([O-])=O Gmelin:1149956 MetaCyc:LYS L-lysinium L-lysinium(1+) chebi_ontology (2S)-2,6-diammoniohexanoate L-lysine L-lysine monocation CHEBI:32551 L-lysinium(1+) Gmelin:1149956 Gmelin L-lysinium IUPAC L-lysinium(1+) JCBN (2S)-2,6-diammoniohexanoate IUPAC L-lysine UniProt L-lysine monocation JCBN The L-enantiomer of lysinium(2+). +2 C6H16N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-P 148.20352 148.12008 [NH3+]CCCC[C@H]([NH3+])C(O)=O Gmelin:1068715 L-lysinediium L-lysinium(2+) chebi_ontology (1S)-1-carboxypentane-1,5-diaminium L-lysine dication CHEBI:32552 L-lysinium(2+) Gmelin:1068715 Gmelin L-lysinediium IUPAC L-lysinium(2+) JCBN (1S)-1-carboxypentane-1,5-diaminium IUPAC L-lysine dication JCBN An optically active form of lysinate having D-configuration. -1 C6H13N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1/t5-/m1/s1 KDXKERNSBIXSRK-RXMQYKEDSA-M 145.17970 145.09825 NCCCC[C@@H](N)C([O-])=O Gmelin:1484324 D-lysinate chebi_ontology (2R)-2,6-diaminohexanoate D-lysinate(1-) D-lysine anion CHEBI:32556 D-lysinate Gmelin:1484324 Gmelin D-lysinate IUPAC (2R)-2,6-diaminohexanoate IUPAC D-lysinate(1-) ChEBI D-lysine anion JCBN An optically active form of lysinium having D-configuration. +1 C6H15N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m1/s1 KDXKERNSBIXSRK-RXMQYKEDSA-O 147.19558 147.11280 [NH3+]CCCC[C@@H]([NH3+])C([O-])=O D-lysinium D-lysinium(1+) chebi_ontology (2R)-2,6-diammoniohexanoate D-lysine D-lysine monocation CHEBI:32557 D-lysinium(1+) D-lysinium IUPAC D-lysinium(1+) JCBN (2R)-2,6-diammoniohexanoate IUPAC D-lysine UniProt D-lysine monocation JCBN The D-enantiomer of lysinium(2+). +2 C6H16N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m1/s1 KDXKERNSBIXSRK-RXMQYKEDSA-P 148.20352 148.12008 [NH3+]CCCC[C@@H]([NH3+])C(O)=O D-lysinediium D-lysinium(2+) chebi_ontology (1R)-1-carboxypentane-1,5-diaminium D-lysine dication CHEBI:32558 D-lysinium(2+) D-lysinediium IUPAC D-lysinium(2+) JCBN (1R)-1-carboxypentane-1,5-diaminium IUPAC D-lysine dication JCBN An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group. -1 C6H13N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1 KDXKERNSBIXSRK-UHFFFAOYSA-M 145.17970 145.09825 NCCCCC(N)C([O-])=O Gmelin:815095 lysinate chebi_ontology 2,6-diaminohexanoate lys(-) lysinate(1-) lysine anion CHEBI:32563 lysinate Gmelin:815095 Gmelin lysinate IUPAC 2,6-diaminohexanoate IUPAC lys(-) IUPAC lysinate(1-) ChEBI lysine anion JCBN An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group. +1 C6H15N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1 KDXKERNSBIXSRK-UHFFFAOYSA-O 147.19558 147.11280 [NH3+]CCCCC([NH3+])C([O-])=O lysinium lysinium(1+) chebi_ontology 2,6-diammoniohexanoate lysine monocation CHEBI:32564 lysinium(1+) lysinium IUPAC lysinium(1+) JCBN 2,6-diammoniohexanoate IUPAC lysine monocation JCBN An alpha-amino-acid cation obtained by protonation of both amino groups of lysine. +2 C6H16N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2 KDXKERNSBIXSRK-UHFFFAOYSA-P 148.20352 148.12008 [NH3+]CCCCC([NH3+])C(O)=O lysinediium lysinium(2+) chebi_ontology 1-carboxypentane-1,5-diaminium lysine dication CHEBI:32565 lysinium(2+) lysinediium IUPAC lysinium(2+) JCBN 1-carboxypentane-1,5-diaminium IUPAC lysine dication JCBN A metal chloride salt with a K(+) counterion. potassium chloride http://langual.org 0 ClK InChI=1S/ClH.K/h1H;/q;+1/p-1 WCUXLLCKKVVCTQ-UHFFFAOYSA-M 74.55100 73.93256 [Cl-].[K+] CAS:7447-40-7 Codex::508 DrugBank:DB00761 Europe::508 KEGG:D02060 MetaCyc:KCL MolBase:881 Reaxys:3534978 Wikipedia:Potassium_Chloride http://www.langual.org/langual_thesaurus.asp?termid=B1653 potassium chloride chebi_ontology KCl Kaliumchlorid Kaon-Cl 10 Klor-con Klotrix Monopotassium chloride [KCl] muriate of potash sylvite CHEBI:32588 LanguaL term definition: Food additive; technological purpose(s): gelling agent, flavour enhancer, stabilizer, thickener. potassium chloride potassium chloride CAS:7447-40-7 ChemIDplus CAS:7447-40-7 NIST Chemistry WebBook Reaxys:3534978 Reaxys potassium chloride IUPAC KCl IUPAC Kaliumchlorid ChEBI Kaon-Cl 10 KEGG_DRUG Klor-con KEGG_DRUG Klotrix KEGG_DRUG Monopotassium chloride DrugBank [KCl] MolBase muriate of potash NIST_Chemistry_WebBook sylvite ChEBI A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death. 0 C9H5ClN4 InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H UGTJLJZQQFGTJD-UHFFFAOYSA-N 204.61566 204.02027 Clc1cccc(NN=C(C#N)C#N)c1 Beilstein:1842102 CAS:555-60-2 Chemspider:2504 KEGG:C11164 LINCS:LSM-2341 PMID:19442682 PMID:25557480 PMID:26208452 PMID:26351918 PMID:29241732 PMID:29277693 PMID:29734380 PMID:30123191 PMID:31346323 PMID:31956228 PMID:32936131 PMID:33096791 PMID:33790590 PMID:33837631 Wikipedia:Carbonyl_cyanide_m-chlorophenyl_hydrazone CCCP N'-(3-chlorophenyl)carbonohydrazonoyl dicyanide chebi_ontology (3-chlorophenyl)hydrazonomalononitrile Carbonyl cyanide m-chlorophenyl hydrazone [(3-chlorophenyl)hydrazono]malononitrile [(3-chlorophenyl)hydrazono]propanedinitrile carbonylcyanide-3-chlorophenylhydrazone CHEBI:3259 CCCP Beilstein:1842102 ChemIDplus CAS:555-60-2 ChemIDplus CAS:555-60-2 KEGG COMPOUND PMID:19442682 Europe PMC PMID:25557480 Europe PMC PMID:26208452 Europe PMC PMID:26351918 Europe PMC PMID:29241732 Europe PMC PMID:29277693 Europe PMC PMID:29734380 Europe PMC PMID:30123191 Europe PMC PMID:31346323 Europe PMC PMID:31956228 Europe PMC PMID:32936131 Europe PMC PMID:33096791 Europe PMC PMID:33790590 Europe PMC PMID:33837631 Europe PMC CCCP KEGG_COMPOUND N'-(3-chlorophenyl)carbonohydrazonoyl dicyanide IUPAC (3-chlorophenyl)hydrazonomalononitrile ChemIDplus Carbonyl cyanide m-chlorophenyl hydrazone KEGG_COMPOUND [(3-chlorophenyl)hydrazono]malononitrile ChemIDplus [(3-chlorophenyl)hydrazono]propanedinitrile ChemIDplus carbonylcyanide-3-chlorophenylhydrazone ChemIDplus 0 Ba InChI=1S/Ba DSAJWYNOEDNPEQ-UHFFFAOYSA-N 137.32700 137.90525 [Ba] WebElements:Ba barium chebi_ontology 56Ba Ba Barium bario barium baryum CHEBI:32594 barium atom barium IUPAC 56Ba IUPAC Ba IUPAC Barium ChEBI bario ChEBI barium ChEBI baryum ChEBI An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. 0 C18H12 InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H IFLREYGFSNHWGE-UHFFFAOYSA-N 228.28788 228.09390 c1ccc2cc3cc4ccccc4cc3cc2c1 Beilstein:1909299 CAS:92-24-0 Gmelin:306993 PMID:11493061 PMID:24655187 Reaxys:1909299 Wikipedia:Tetracene tetracene chebi_ontology 2,3-benzanthracene benz[b]anthracene naphthacene CHEBI:32600 tetracene Beilstein:1909299 Beilstein CAS:92-24-0 ChemIDplus CAS:92-24-0 NIST Chemistry WebBook Gmelin:306993 Gmelin PMID:11493061 Europe PMC PMID:24655187 Europe PMC Reaxys:1909299 Reaxys tetracene IUPAC 2,3-benzanthracene NIST_Chemistry_WebBook benz[b]anthracene NIST_Chemistry_WebBook naphthacene IUPAC An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3. +2 C4H14N2 InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2 KIDHWZJUCRJVML-UHFFFAOYSA-P 90.16740 90.11460 [NH3+]CCCC[NH3+] Gmelin:323413 MetaCyc:PUTRESCINE butane-1,4-bis(aminium) chebi_ontology butane-1,4-diaminium putrescine putrescinium dication putrescinium(2+) CHEBI:326268 1,4-butanediammonium Gmelin:323413 Gmelin butane-1,4-bis(aminium) IUPAC butane-1,4-diaminium IUPAC putrescine UniProt putrescinium dication ChEBI putrescinium(2+) ChEBI An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group. -1 C6H12NO2 InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1 ROHFNLRQFUQHCH-UHFFFAOYSA-M 130.16502 130.08735 CC(C)CC(N)C([O-])=O Reaxys:5245805 leucinate chebi_ontology 2-amino-4-methylpentanoate leu(-) leucine anion CHEBI:32627 leucinate Reaxys:5245805 Reaxys leucinate IUPAC 2-amino-4-methylpentanoate IUPAC leu(-) IUPAC leucine anion JCBN An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group. +1 C6H14NO2 InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1 ROHFNLRQFUQHCH-UHFFFAOYSA-O 132.18090 132.10191 CC(C)CC([NH3+])C(O)=O Gmelin:1651836 leucinium chebi_ontology 1-carboxy-3-methylbutan-1-aminium H2leu(+) leucine cation CHEBI:32628 leucinium Gmelin:1651836 Gmelin leucinium IUPAC 1-carboxy-3-methylbutan-1-aminium IUPAC H2leu(+) IUPAC leucine cation JCBN A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group. -1 C5H10NO2S InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1 FFEARJCKVFRZRR-UHFFFAOYSA-M 148.20444 148.04377 CSCCC(N)C([O-])=O Beilstein:3937270 Gmelin:326565 Reaxys:3937270 methioninate chebi_ontology 2-amino-4-(methylsulfanyl)butanoate met(-) methionine anion CHEBI:32644 methioninate Beilstein:3937270 Beilstein Gmelin:326565 Gmelin Reaxys:3937270 Reaxys methioninate IUPAC 2-amino-4-(methylsulfanyl)butanoate IUPAC met(-) IUPAC methionine anion JCBN A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group. +1 C5H12NO2S InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1 FFEARJCKVFRZRR-UHFFFAOYSA-O 150.22032 150.05833 CSCCC([NH3+])C(O)=O Gmelin:326567 methioninium chebi_ontology 1-carboxy-3-(methylsulfanyl)propan-1-aminium H2met(+) methionine cation CHEBI:32646 methioninium Gmelin:326567 Gmelin methioninium IUPAC 1-carboxy-3-(methylsulfanyl)propan-1-aminium IUPAC H2met(+) IUPAC methionine cation JCBN An optically active form of glutaminate having L-configuration. -1 C5H9N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1/t3-/m0/s1 ZDXPYRJPNDTMRX-VKHMYHEASA-M 145.13664 145.06187 N[C@@H](CCC(N)=O)C([O-])=O Gmelin:327924 L-glutaminate chebi_ontology (2S)-2,5-diamino-5-oxopentanoate L-glutamine anion CHEBI:32665 L-glutaminate Gmelin:327924 Gmelin L-glutaminate IUPAC (2S)-2,5-diamino-5-oxopentanoate IUPAC L-glutamine anion JCBN An optically active form of glutaminium having L-configuration. +1 C5H11N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1 ZDXPYRJPNDTMRX-VKHMYHEASA-O 147.15252 147.07642 NC(=O)CC[C@H]([NH3+])C(O)=O L-glutaminium chebi_ontology (1S)-4-amino-1-carboxy-4-oxobutan-1-aminium L-glutamine cation CHEBI:32666 L-glutaminium L-glutaminium IUPAC (1S)-4-amino-1-carboxy-4-oxobutan-1-aminium IUPAC L-glutamine cation JCBN An optically active form of glutaminate having D-configuration. -1 C5H9N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1/t3-/m1/s1 ZDXPYRJPNDTMRX-GSVOUGTGSA-M 145.13664 145.06187 N[C@H](CCC(N)=O)C([O-])=O Gmelin:1342585 D-glutaminate chebi_ontology (2R)-2,5-diamino-5-oxopentanoate D-glutamine anion CHEBI:32672 D-glutaminate Gmelin:1342585 Gmelin D-glutaminate IUPAC (2R)-2,5-diamino-5-oxopentanoate IUPAC D-glutamine anion JCBN An optically active form of glutaminium having D-configuration. +1 C5H11N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m1/s1 ZDXPYRJPNDTMRX-GSVOUGTGSA-O 147.15252 147.07642 NC(=O)CC[C@@H]([NH3+])C(O)=O D-glutaminium chebi_ontology (1R)-4-amino-1-carboxy-4-oxobutan-1-aminium D-glutamine cation CHEBI:32673 D-glutaminium D-glutaminium IUPAC (1R)-4-amino-1-carboxy-4-oxobutan-1-aminium IUPAC D-glutamine cation JCBN An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group. -1 C5H9N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1 ZDXPYRJPNDTMRX-UHFFFAOYSA-M 145.13664 145.06187 NC(CCC(N)=O)C([O-])=O Gmelin:464703 glutaminate chebi_ontology 2,5-diamino-5-oxopentanoate gln(-) glutamine anion CHEBI:32678 glutaminate Gmelin:464703 Gmelin glutaminate IUPAC 2,5-diamino-5-oxopentanoate IUPAC gln(-) IUPAC glutamine anion JCBN An alpha-amino-acid cation that is the conjugate acid of glutamine, arising from protonation of the amino group. +1 C5H11N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1 ZDXPYRJPNDTMRX-UHFFFAOYSA-O 147.15252 147.07642 NC(=O)CCC([NH3+])C(O)=O glutaminium chebi_ontology 4-amino-1-carboxy-4-oxobutan-1-aminium H2gln(+) glutamine cation CHEBI:32679 glutaminium glutaminium IUPAC 4-amino-1-carboxy-4-oxobutan-1-aminium IUPAC H2gln(+) IUPAC glutamine cation JCBN An L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group. -1 C6H13N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-M 173.19318 173.10440 N[C@@H](CCCNC(N)=N)C([O-])=O Beilstein:4745004 Gmelin:329320 L-argininate chebi_ontology (2S)-2-amino-5-(carbamimidamido)pentanoate (2S)-2-amino-5-guanidinopentanoate L-arginine anion CHEBI:32681 L-argininate Beilstein:4745004 Beilstein Gmelin:329320 Gmelin L-argininate IUPAC (2S)-2-amino-5-(carbamimidamido)pentanoate IUPAC (2S)-2-amino-5-guanidinopentanoate JCBN L-arginine anion JCBN The L-enantiomer of argininium(1+). +1 C6H15N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-O 175.20906 175.11895 NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O CHEBI:133495 Gmelin:1345601 (2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoate L-argininium L-argininium(1+) chebi_ontology (2S)-2-amino-5-(carbamimidamido)pentanoate (2S)-2-amino-5-guanidinopentanoate (2S)-2-ammonio-5-guanidiniopentanoate L-arginine L-arginine cation L-arginine monocation arginine(1+) CHEBI:32682 L-argininium(1+) Gmelin:1345601 Gmelin (2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoate IUPAC L-argininium IUPAC L-argininium(1+) JCBN (2S)-2-amino-5-(carbamimidamido)pentanoate ChEBI (2S)-2-amino-5-guanidinopentanoate JCBN (2S)-2-ammonio-5-guanidiniopentanoate JCBN L-arginine ChEBI L-arginine UniProt L-arginine cation ChEBI L-arginine monocation JCBN arginine(1+) ChEBI +2 C6H16N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-P 176.21700 176.12623 NC(=[NH2+])NCCC[C@H]([NH3+])C(O)=O Beilstein:4745613 L-argininediium L-argininium(2+) chebi_ontology L-arginine dication [(1S)-1-carboxy-4-guanidiniobutyl]ammonium CHEBI:32683 L-argininium(2+) Beilstein:4745613 Beilstein L-argininediium IUPAC L-argininium(2+) JCBN L-arginine dication JCBN [(1S)-1-carboxy-4-guanidiniobutyl]ammonium ChEBI 0 C19H30O5 InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3 FIPWRIJSWJWJAI-UHFFFAOYSA-N 338.43850 338.20932 CCCCOCCOCCOCc1cc2OCOc2cc1CCC Beilstein:288063 CAS:51-03-6 Drug_Central:4276 KEGG:C18880 KEGG:D08383 PPDB:529 VSDB:529 Wikipedia:Piperonyl_Butoxide 5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole chebi_ontology (3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether (butylcarbityl)(6-propylpiperonyl)ether 2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether 5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole 6-propylpiperonyl butyl diethylene glycol ether alpha-(2-(2-n-butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene alpha-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyltoluene butyl carbitol 6-propylpiperonyl ether CHEBI:32687 piperonyl butoxide Beilstein:288063 Beilstein CAS:51-03-6 ChemIDplus CAS:51-03-6 KEGG COMPOUND CAS:51-03-6 NIST Chemistry WebBook Drug_Central:4276 DrugCentral 5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole IUPAC (3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether NIST_Chemistry_WebBook (butylcarbityl)(6-propylpiperonyl)ether ChemIDplus 2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether ChemIDplus 5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole NIST_Chemistry_WebBook 6-propylpiperonyl butyl diethylene glycol ether NIST_Chemistry_WebBook alpha-(2-(2-n-butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene NIST_Chemistry_WebBook alpha-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyltoluene NIST_Chemistry_WebBook butyl carbitol 6-propylpiperonyl ether ChemIDplus -1 C6H13N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m1/s1 ODKSFYDXXFIFQN-SCSAIBSYSA-M 173.19318 173.10440 N[C@H](CCCNC(N)=N)C([O-])=O D-argininate chebi_ontology (2R)-2-amino-5-(carbamimidamido)pentanoate (2R)-2-amino-5-guanidinopentanoate D-arginine anion CHEBI:32688 D-argininate D-argininate IUPAC (2R)-2-amino-5-(carbamimidamido)pentanoate IUPAC (2R)-2-amino-5-guanidinopentanoate JCBN D-arginine anion JCBN The D-enantiomer of argininium(1+). +1 C6H15N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1 ODKSFYDXXFIFQN-SCSAIBSYSA-O 175.20906 175.11895 NC(=[NH2+])NCCC[C@@H]([NH3+])C([O-])=O Gmelin:1345600 MetaCyc:CPD-220 D-argininium D-argininium(1+) chebi_ontology (2R)-2-ammonio-5-guanidiniopentanoate D-arginine D-arginine monocation CHEBI:32689 D-argininium(1+) Gmelin:1345600 Gmelin D-argininium IUPAC D-argininium(1+) JCBN (2R)-2-ammonio-5-guanidiniopentanoate JCBN D-arginine UniProt D-arginine monocation JCBN +2 C6H16N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m1/s1 ODKSFYDXXFIFQN-SCSAIBSYSA-P 176.21700 176.12623 NC(=[NH2+])NCCC[C@@H]([NH3+])C(O)=O D-argininediium D-argininium(2+) chebi_ontology D-arginine dication [(1R)-1-carboxy-4-guanidiniobutyl]ammonium CHEBI:32690 D-argininium(2+) D-argininediium IUPAC D-argininium(2+) JCBN D-arginine dication JCBN [(1R)-1-carboxy-4-guanidiniobutyl]ammonium ChEBI -1 C6H13N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1 ODKSFYDXXFIFQN-UHFFFAOYSA-M 173.19318 173.10440 NC(CCCNC(N)=N)C([O-])=O Gmelin:603497 argininate chebi_ontology 2-amino-5-(carbamimidamido)pentanoate 2-amino-5-guanidinopentanoate arg(-) arginine anion CHEBI:32695 argininate Gmelin:603497 Gmelin argininate IUPAC 2-amino-5-(carbamimidamido)pentanoate IUPAC 2-amino-5-guanidinopentanoate JCBN arg(-) IUPAC arginine anion JCBN +1 C6H15N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1 ODKSFYDXXFIFQN-UHFFFAOYSA-O 175.20906 175.11895 NC(=[NH2+])NCCCC([NH3+])C([O-])=O Gmelin:1345599 argininium argininium(1+) chebi_ontology 2-ammonio-5-guanidiniopentanoate H2arg(+) arginine arginine monocation CHEBI:32696 argininium(1+) Gmelin:1345599 Gmelin argininium IUPAC argininium(1+) JCBN 2-ammonio-5-guanidiniopentanoate JCBN H2arg(+) IUPAC arginine UniProt arginine monocation JCBN +2 C6H16N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2 ODKSFYDXXFIFQN-UHFFFAOYSA-P 176.21700 176.12623 NC(=[NH2+])NCCCC([NH3+])C(O)=O argininediium argininium(2+) chebi_ontology (1-carboxy-4-guanidiniobutyl)ammonium H3arg(2+) arginine dication CHEBI:32697 argininium(2+) argininediium IUPAC argininium(2+) JCBN (1-carboxy-4-guanidiniobutyl)ammonium ChEBI H3arg(2+) IUPAC arginine dication JCBN An optically active form of tyrosinate having L-configuration. -1 C9H10NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-M 180.18064 180.06662 N[C@@H](Cc1ccc(O)cc1)C([O-])=O Beilstein:4784244 Gmelin:329373 Reaxys:4784244 L-tyrosinate(1-) hydrogen L-tyrosinate chebi_ontology (2S)-2-amino-3-(4-hydroxyphenyl)propanoate L-tyrosine anion L-tyrosine monoanion CHEBI:32760 L-tyrosinate(1-) Beilstein:4784244 Beilstein Gmelin:329373 Gmelin Reaxys:4784244 Reaxys L-tyrosinate(1-) JCBN hydrogen L-tyrosinate IUPAC (2S)-2-amino-3-(4-hydroxyphenyl)propanoate IUPAC L-tyrosine anion NIST_Chemistry_WebBook L-tyrosine monoanion JCBN The L-enantiomer of tyrosinate(2-). -2 C9H9NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-L 179.17270 179.05934 N[C@@H](Cc1ccc([O-])cc1)C([O-])=O Beilstein:5339596 Gmelin:364975 Reaxys:5339596 L-tyrosinate L-tyrosinate(2-) chebi_ontology (2S)-2-amino-3-(4-oxidophenyl)propanoate L-tyrosine dianion CHEBI:32761 L-tyrosinate(2-) Beilstein:5339596 Beilstein Gmelin:364975 Gmelin Reaxys:5339596 Reaxys L-tyrosinate IUPAC L-tyrosinate(2-) JCBN (2S)-2-amino-3-(4-oxidophenyl)propanoate IUPAC L-tyrosine dianion JCBN An optically active form of tyrosinium having L-configuration. +1 C9H12NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-O 182.19652 182.08117 [NH3+][C@@H](Cc1ccc(O)cc1)C(O)=O Gmelin:1150138 L-tyrosinium chebi_ontology (1S)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium L-tyrosine cation CHEBI:32762 L-tyrosinium Gmelin:1150138 Gmelin L-tyrosinium IUPAC (1S)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium IUPAC L-tyrosine cation JCBN An optically active form of tyrosinate(1-) having D-configuration. -1 C9H10NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m1/s1 OUYCCCASQSFEME-MRVPVSSYSA-M 180.18064 180.06662 N[C@H](Cc1ccc(O)cc1)C([O-])=O Gmelin:1484464 D-tyrosinate(1-) hydrogen D-tyrosinate chebi_ontology (2R)-2-amino-3-(4-hydroxyphenyl)propanoate D-tyrosine monoanion CHEBI:32773 D-tyrosinate(1-) Gmelin:1484464 Gmelin D-tyrosinate(1-) JCBN hydrogen D-tyrosinate IUPAC (2R)-2-amino-3-(4-hydroxyphenyl)propanoate IUPAC D-tyrosine monoanion JCBN The D-enantiomer of tyrosinate(2-). -2 C9H9NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2/t8-/m1/s1 OUYCCCASQSFEME-MRVPVSSYSA-L 179.17270 179.05934 N[C@H](Cc1ccc([O-])cc1)C([O-])=O D-tyrosinate D-tyrosinate(2-) chebi_ontology (2R)-2-amino-3-(4-oxidophenyl)propanoate D-tyrosine dianion CHEBI:32774 D-tyrosinate(2-) D-tyrosinate IUPAC D-tyrosinate(2-) JCBN (2R)-2-amino-3-(4-oxidophenyl)propanoate IUPAC D-tyrosine dianion JCBN An optically active form of tyrosinium having D-configuration. +1 C9H12NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1/t8-/m1/s1 OUYCCCASQSFEME-MRVPVSSYSA-O 182.19652 182.08117 [NH3+][C@H](Cc1ccc(O)cc1)C(O)=O Gmelin:364976 D-tyrosinium chebi_ontology (1R)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium D-tyrosine cation CHEBI:32775 D-tyrosinium Gmelin:364976 Gmelin D-tyrosinium IUPAC (1R)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium IUPAC D-tyrosine cation JCBN An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group. -1 C9H10NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1 OUYCCCASQSFEME-UHFFFAOYSA-M 180.18064 180.06662 NC(Cc1ccc(O)cc1)C([O-])=O Beilstein:3548387 Beilstein:4139515 Gmelin:329372 hydrogen tyrosinate tyrosinate(1-) chebi_ontology 2-amino-3-(4-hydroxyphenyl)propanoate tyrosine anion CHEBI:32784 tyrosinate(1-) Beilstein:3548387 Beilstein Beilstein:4139515 Beilstein Gmelin:329372 Gmelin hydrogen tyrosinate IUPAC tyrosinate(1-) JCBN 2-amino-3-(4-hydroxyphenyl)propanoate IUPAC tyrosine anion JCBN -2 C9H9NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2 OUYCCCASQSFEME-UHFFFAOYSA-L 179.17270 179.05934 NC(Cc1ccc([O-])cc1)C([O-])=O tyrosinate tyrosinate(2-) chebi_ontology 2-amino-3-(4-oxidophenyl)propanoate tyrosine dianion CHEBI:32785 tyrosinate(2-) tyrosinate IUPAC tyrosinate(2-) JCBN 2-amino-3-(4-oxidophenyl)propanoate IUPAC tyrosine dianion JCBN An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group. +1 C9H12NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1 OUYCCCASQSFEME-UHFFFAOYSA-O 182.19652 182.08117 [NH3+]C(Cc1ccc(O)cc1)C(O)=O tyrosinium chebi_ontology 1-carboxy-2-(4-hydroxyphenyl)ethanaminium tyrosine cation CHEBI:32786 tyrosinium tyrosinium IUPAC 1-carboxy-2-(4-hydroxyphenyl)ethanaminium IUPAC tyrosine cation JCBN A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. 0 C8H8O4 InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12) AMKYESDOVDKZKV-UHFFFAOYSA-N 168.148 168.04226 CC1=C(C(O)=O)C(O)=CC(O)=C1 CHEBI:25621 CHEBI:7791 Beilstein:2211027 CAS:480-64-8 KEGG:C01839 KNApSAcK:C00000487 LINCS:LSM-20972 LIPID_MAPS_instance:LMPK13010001 MetaCyc:CPD-47 PDBeChem:6X7 PMID:13869400 PMID:19666480 PMID:20174687 PMID:20630753 PMID:21879714 PMID:25537370 PMID:4399350 PMID:5311576 Reaxys:2211027 Wikipedia:Orsellinic_acid 2,4-dihydroxy-6-methylbenzoic acid o-Orsellinic acid chebi_ontology 2,4-Dihydroxy-6-methylbenzoic acid 4,6-Dihydroxy-o-toluic acid Orsellinsaeure orsellic acid orsellinic acid CHEBI:32807 o-orsellinic acid Beilstein:2211027 Beilstein CAS:480-64-8 ChemIDplus CAS:480-64-8 KEGG COMPOUND LIPID_MAPS_instance:LMPK13010001 LIPID MAPS PMID:13869400 Europe PMC PMID:19666480 Europe PMC PMID:20174687 Europe PMC PMID:20630753 Europe PMC PMID:21879714 Europe PMC PMID:25537370 Europe PMC PMID:4399350 Europe PMC PMID:5311576 Europe PMC Reaxys:2211027 Reaxys 2,4-dihydroxy-6-methylbenzoic acid IUPAC o-Orsellinic acid KEGG_COMPOUND 2,4-Dihydroxy-6-methylbenzoic acid KEGG_COMPOUND 4,6-Dihydroxy-o-toluic acid KEGG_COMPOUND Orsellinsaeure ChEBI orsellic acid ChemIDplus orsellinic acid ChEBI The L-enantiomer of valinate. -1 C5H10NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-M 116.13844 116.07170 CC(C)[C@H](N)C([O-])=O Beilstein:3933569 Gmelin:325409 L-valinate chebi_ontology (2S)-2-amino-3-methylbutanoate L-valine anion CHEBI:32851 L-valinate Beilstein:3933569 Beilstein Gmelin:325409 Gmelin L-valinate IUPAC (2S)-2-amino-3-methylbutanoate IUPAC L-valine anion JCBN The L-enantiomer of valinium. +1 C5H12NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-O 118.15432 118.08626 CC(C)[C@H]([NH3+])C(O)=O L-valinium chebi_ontology (1S)-1-carboxy-2-methylpropan-1-aminium L-valine cation CHEBI:32852 L-valinium L-valinium IUPAC (1S)-1-carboxy-2-methylpropan-1-aminium IUPAC L-valine cation JCBN The D-enantiomer of valinate. -1 C5H10NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m1/s1 KZSNJWFQEVHDMF-SCSAIBSYSA-M 116.13844 116.07170 CC(C)[C@@H](N)C([O-])=O Gmelin:325408 D-valinate chebi_ontology (2R)-2-amino-3-methylbutanoate D-valine anion CHEBI:32855 D-valinate Gmelin:325408 Gmelin D-valinate IUPAC (2R)-2-amino-3-methylbutanoate IUPAC D-valine anion JCBN The D-enantiomer of valinium. +1 C5H12NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m1/s1 KZSNJWFQEVHDMF-SCSAIBSYSA-O 118.15432 118.08626 CC(C)[C@@H]([NH3+])C(O)=O D-valinium chebi_ontology (1R)-1-carboxy-2-methylpropan-1-aminium D-valine cation CHEBI:32856 D-valinium D-valinium IUPAC (1R)-1-carboxy-2-methylpropan-1-aminium IUPAC D-valine cation JCBN -1 C5H10NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1 KZSNJWFQEVHDMF-UHFFFAOYSA-M 116.13844 116.07170 CC(C)C(N)C([O-])=O Gmelin:49876 valinate chebi_ontology 2-amino-3-methylbutanoate val(-) valine anion CHEBI:32859 valinate Gmelin:49876 Gmelin valinate IUPAC 2-amino-3-methylbutanoate IUPAC val(-) IUPAC valine anion JCBN +1 C5H12NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1 KZSNJWFQEVHDMF-UHFFFAOYSA-O 118.15432 118.08626 CC(C)C([NH3+])C(O)=O Gmelin:1651060 valinium chebi_ontology 1-carboxy-2-methylpropan-1-aminium H2val(+) valine cation CHEBI:32860 valinium Gmelin:1651060 Gmelin valinium IUPAC 1-carboxy-2-methylpropan-1-aminium IUPAC H2val(+) IUPAC valine cation JCBN An optically active form of prolinate having L-configuration. -1 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-M 114.12250 114.05605 [O-]C(=O)[C@@H]1CCCN1 Beilstein:4307988 Gmelin:82610 Reaxys:4307988 L-prolinate chebi_ontology (2S)-pyrrolidine-2-carboxylate L-proline anion CHEBI:32862 L-prolinate Beilstein:4307988 Beilstein Gmelin:82610 Gmelin Reaxys:4307988 Reaxys L-prolinate IUPAC (2S)-pyrrolidine-2-carboxylate IUPAC L-proline anion JCBN A compound formally derived from ammonia by replacing two hydrogen atoms by hydrocarbyl groups. 0 HNR2 15.01460 15.01090 [H]N([*])[*] CHEBI:26618 CHEBI:9078 KEGG:C02324 Secondary amine secondary amines chebi_ontology R2NH sekundaeres Amin CHEBI:32863 secondary amine Secondary amine KEGG_COMPOUND secondary amines IUPAC R2NH IUPAC sekundaeres Amin ChEBI An optically active form of prolinium having L-configuration. +1 C5H10NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-O 116.13840 116.07060 OC(=O)[C@@H]1CCC[NH2+]1 Gmelin:363493 L-prolinium chebi_ontology (2S)-2-carboxypyrrolidinium L-proline cation CHEBI:32864 L-prolinium Gmelin:363493 Gmelin L-prolinium IUPAC (2S)-2-carboxypyrrolidinium IUPAC L-proline cation JCBN An optically active form of prolinate having D-configuration. -1 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-M 114.12250 114.05605 [O-]C(=O)[C@H]1CCCN1 Gmelin:533350 D-prolinate chebi_ontology (2R)-pyrrolidine-2-carboxylate D-proline anion CHEBI:32867 D-prolinate Gmelin:533350 Gmelin D-prolinate IUPAC (2R)-pyrrolidine-2-carboxylate IUPAC D-proline anion JCBN An optically active form of prolinium having D-configuration. +1 C5H10NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-O 116.13840 116.07060 OC(=O)[C@H]1CCC[NH2+]1 Gmelin:363492 D-prolinium chebi_ontology (2R)-2-carboxypyrrolidinium D-proline cation CHEBI:32868 D-prolinium Gmelin:363492 Gmelin D-prolinium IUPAC (2R)-2-carboxypyrrolidinium IUPAC D-proline cation JCBN An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group. -1 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1 ONIBWKKTOPOVIA-UHFFFAOYSA-M 114.12256 114.05605 [O-]C(=O)C1CCCN1 Beilstein:5387795 Gmelin:50151 Reaxys:5387795 prolinate chebi_ontology pro(-) proline anion pyrrolidine-2-carboxylate CHEBI:32871 prolinate Beilstein:5387795 Beilstein Gmelin:50151 Gmelin Reaxys:5387795 Reaxys prolinate IUPAC pro(-) IUPAC proline anion JCBN pyrrolidine-2-carboxylate IUPAC An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group. +1 C5H10NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1 ONIBWKKTOPOVIA-UHFFFAOYSA-O 116.13840 116.07060 OC(=O)C1CCC[NH2+]1 prolinium chebi_ontology 2-carboxypyrrolidinium H2pro(+) proline cation CHEBI:32872 prolinium prolinium IUPAC 2-carboxypyrrolidinium IUPAC H2pro(+) IUPAC proline cation JCBN A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups. 0 NR3 14.00670 14.00307 [*]N([*])[*] CHEBI:26879 CHEBI:9458 KEGG:C02196 Tertiary amine tertiary amines chebi_ontology R3N tertiaeres Amin CHEBI:32876 tertiary amine Tertiary amine KEGG_COMPOUND tertiary amines IUPAC R3N IUPAC tertiaeres Amin ChEBI A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group. 0 H2NR 16.02260 16.01872 N[*] CHEBI:26263 CHEBI:26265 CHEBI:8407 CHEBI:8409 KEGG:C00375 KEGG:C00893 KEGG:C02580 Primary amine primary amines chebi_ontology Primary monoamine R-NH2 RCH2NH2 primaeres Amin CHEBI:32877 primary amine Primary amine KEGG_COMPOUND primary amines IUPAC Primary monoamine KEGG_COMPOUND R-NH2 IUPAC RCH2NH2 KEGG_COMPOUND primaeres Amin ChEBI An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc. 0 C2H2R2 26.037 26.01565 CHEBI:22320 CHEBI:2581 KEGG:C01372 Alkene chebi_ontology alkenes olefin CHEBI:32878 alkene Alkene KEGG_COMPOUND alkenes ChEBI olefin ChEBI propane http://langual.org 0 C3H8 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 ATUOYWHBWRKTHZ-UHFFFAOYSA-N 44.09562 44.06260 CCC Beilstein:1730718 CAS:74-98-6 Codex::944 Europe::944 Gmelin:25044 http://www.langual.org/langual_thesaurus.asp?termid=B4446 propane chebi_ontology CH3-CH2-CH3 E944 Propan CHEBI:32879 LanguaL term definition: Food additive; technological purpose(s): propellant. propane Beilstein:1730718 Beilstein CAS:74-98-6 ChemIDplus CAS:74-98-6 NIST Chemistry WebBook Gmelin:25044 Gmelin propane IUPAC propane UniProt CH3-CH2-CH3 IUPAC E944 ChEBI Propan ChEBI 0 C5H11 71.14084 71.08608 CCC(CC)* pentan-3-yl chebi_ontology (CH3-CH2)2CH- 1-ethylpropyl CHEBI:32881 pentan-3-yl group pentan-3-yl IUPAC (CH3-CH2)2CH- IUPAC 1-ethylpropyl IUPAC 0 C6H6Cl6 InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+ JLYXXMFPNIAWKQ-GNIYUCBRSA-N 290.82804 287.86007 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl CHEBI:10567 CHEBI:24184 CHEBI:6473 Beilstein:1907337 CAS:55963-79-6 CAS:58-89-9 DrugBank:DB00431 Drug_Central:1583 Gmelin:2179629 KEGG:C06595 KEGG:C07075 KEGG:D00360 PPDB:370 UM-BBD_compID:c0141 VSDB:370 Wikipedia:Lindane (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane gamma-Hexachlorocyclohexane gamma-hexachlorocyclohexane chebi_ontology (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane (1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane 1,2,3,4,5,6-Hexachlorocyclohexane Benzene hexachloride Kwell Lindan Lindane gamma-1,2,3,4,5,6-hexachlorocyclohexane gamma-BHC gamma-HCH gamma-Hexachlorzyklohexan gamma-benzene hexachloride gamma-lindane CHEBI:32888 gamma-hexachlorocyclohexane Beilstein:1907337 Beilstein CAS:55963-79-6 NIST Chemistry WebBook CAS:58-89-9 ChemIDplus CAS:58-89-9 KEGG COMPOUND CAS:58-89-9 NIST Chemistry WebBook Drug_Central:1583 DrugCentral Gmelin:2179629 Gmelin UM-BBD_compID:c0141 UM-BBD (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane IUPAC gamma-Hexachlorocyclohexane KEGG_COMPOUND gamma-hexachlorocyclohexane NIST_Chemistry_WebBook gamma-hexachlorocyclohexane UniProt (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane NIST_Chemistry_WebBook (1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane IUPAC 1,2,3,4,5,6-Hexachlorocyclohexane KEGG_COMPOUND Benzene hexachloride KEGG_COMPOUND Kwell NIST_Chemistry_WebBook Lindan ChEBI Lindane KEGG_COMPOUND gamma-1,2,3,4,5,6-hexachlorocyclohexane NIST_Chemistry_WebBook gamma-BHC KEGG_COMPOUND gamma-BHC NIST_Chemistry_WebBook gamma-HCH ChEBI gamma-HCH NIST_Chemistry_WebBook gamma-Hexachlorzyklohexan ChEBI gamma-benzene hexachloride NIST_Chemistry_WebBook gamma-lindane NIST_Chemistry_WebBook A straight chain alkane composed of 9 carbon atoms. 0 C9H20 InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 BKIMMITUMNQMOS-UHFFFAOYSA-N 128.25510 128.15650 CCCCCCCCC Beilstein:1696917 CAS:111-84-2 Gmelin:240576 HMDB:HMDB0029595 KNApSAcK:C00034882 LIPID_MAPS_instance:LMFA11000579 PMID:23822267 Reaxys:1696917 nonane chebi_ontology CH3-[CH2]7-CH3 Nonan n-nonane CHEBI:32892 nonane Beilstein:1696917 Beilstein CAS:111-84-2 ChemIDplus CAS:111-84-2 NIST Chemistry WebBook Gmelin:240576 Gmelin LIPID_MAPS_instance:LMFA11000579 LIPID MAPS PMID:23822267 Europe PMC Reaxys:1696917 Reaxys nonane IUPAC CH3-[CH2]7-CH3 IUPAC Nonan ChEBI n-nonane NIST_Chemistry_WebBook A tetracyclic diterpenoid isolated from plant species of the genus Taxus. 0 C31H38O11 InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1 OVMSOCFBDVBLFW-VHLOTGQHSA-N 586.62682 586.24141 [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHEBI:13870 CHEBI:29546 Beilstein:1445625 CAS:27548-93-2 KEGG:C11900 PMID:23265441 PMID:24403190 PMID:24696551 Reaxys:1445625 Wikipedia:Baccatin_III 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate Baccatin III baccatin III chebi_ontology [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one CHEBI:32898 baccatin III Beilstein:1445625 Beilstein CAS:27548-93-2 ChemIDplus CAS:27548-93-2 KEGG COMPOUND PMID:23265441 Europe PMC PMID:24403190 Europe PMC PMID:24696551 Europe PMC Reaxys:1445625 Reaxys 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate IUPAC Baccatin III KEGG_COMPOUND baccatin III UniProt [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one ChemIDplus A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups. CHEBI:13814 CHEBI:22474 CHEBI:2641 KEGG:C00706 Amine amines chebi_ontology Amin Substituted amine CHEBI:32952 amine Amine KEGG_COMPOUND amines IUPAC Amin ChEBI Substituted amine KEGG_COMPOUND Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. 0 C2OR4 40.02080 39.99491 [*]C1([*])OC1([*])[*] CHEBI:13828 CHEBI:23930 CHEBI:4812 KEGG:C00722 PMID:10891060 Wikipedia:Epoxide Epoxide epoxides chebi_ontology Alkene oxide Olefin oxide an epoxide epoxides CHEBI:32955 epoxide PMID:10891060 Europe PMC Epoxide KEGG_COMPOUND epoxides IUPAC Alkene oxide KEGG_COMPOUND Olefin oxide KEGG_COMPOUND an epoxide UniProt epoxides ChEBI Any monoacylglycerol phosphate obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid or derivatives therein. Wikipedia:Lysophosphatidic_acid chebi_ontology CHEBI:32957 lysophosphatidic acids An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. CHEBI:22473 CHEBI:2633 KEGG:C00241 Amide amides chebi_ontology CHEBI:32988 amide Amide KEGG_COMPOUND amides IUPAC A monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid. -1 H3O7P2 InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-1 XPPKVPWEQAFLFU-UHFFFAOYSA-M 176.96714 176.93595 OP(O)(=O)OP(O)([O-])=O Gmelin:185086 trihydrogen diphosphate chebi_ontology H3P2O7(-) CHEBI:33017 diphosphate(1-) Gmelin:185086 Gmelin trihydrogen diphosphate IUPAC H3P2O7(-) IUPAC A trivalent inorganic anion obtained by removal of all three protons from diphosphoric acid. -3 HO7P2 InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3 XPPKVPWEQAFLFU-UHFFFAOYSA-K 174.95126 174.92140 OP([O-])(=O)OP([O-])([O-])=O Beilstein:185088 hydrogen diphosphate chebi_ontology HP2O7(3-) diphosphate CHEBI:33019 diphosphate(3-) Beilstein:185088 Beilstein hydrogen diphosphate IUPAC HP2O7(3-) IUPAC diphosphate UniProt 0 Cl2CrO2 InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2 AHXGRMIPHCAXFP-UHFFFAOYSA-L 154.90030 153.86804 Cl[Cr](Cl)(=O)=O CAS:14977-61-8 Gmelin:2231 MolBase:620 chromyl dichloride dichloridodioxidochromium chebi_ontology (T-4)-dichlorodioxochromium [CrCl2O2] chromium dichloride dioxide chromium(VI) dioxychloride chromyl chloride dichlorodioxochromium dioxodichlorochromium CHEBI:33038 chromyl dichloride CAS:14977-61-8 ChemIDplus CAS:14977-61-8 NIST Chemistry WebBook Gmelin:2231 Gmelin chromyl dichloride IUPAC dichloridodioxidochromium IUPAC (T-4)-dichlorodioxochromium ChemIDplus [CrCl2O2] MolBase chromium dichloride dioxide IUPAC chromium(VI) dioxychloride ChemIDplus chromyl chloride NIST_Chemistry_WebBook dichlorodioxochromium NIST_Chemistry_WebBook dioxodichlorochromium NIST_Chemistry_WebBook A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. 0 C12H13NO2 InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N 203.23710 203.09463 OC(=O)CCCc1c[nH]c2ccccc12 CHEBI:24806 CHEBI:39986 CHEBI:5914 BPDB:1465 Beilstein:171120 CAS:133-32-4 DrugBank:DB02740 Gmelin:143637 HMDB:HMDB0002096 KEGG:C11284 KNApSAcK:C00000116 PDBeChem:3IB PMID:23201417 PMID:23795714 Reaxys:171120 Wikipedia:Indole-3-butyric_acid 4-(1H-indol-3-yl)butanoic acid Indole-3-butyric acid indole-3-butyric acid chebi_ontology 1H-indole-3-butanoic acid 3-INDOLEBUTYRIC ACID 3-indolyl-gamma-butyric acid 4-(indol-3-yl)butyric acid 4-indol-3-ylbutyric acid IBA Indolebutyric acid Seradix indole-3-butanoic acid CHEBI:33070 indole-3-butyric acid Beilstein:171120 Beilstein CAS:133-32-4 ChemIDplus CAS:133-32-4 KEGG COMPOUND Gmelin:143637 Gmelin PMID:23201417 Europe PMC PMID:23795714 Europe PMC Reaxys:171120 Reaxys 4-(1H-indol-3-yl)butanoic acid IUPAC Indole-3-butyric acid KEGG_COMPOUND indole-3-butyric acid ChemIDplus 1H-indole-3-butanoic acid ChemIDplus 3-INDOLEBUTYRIC ACID PDBeChem 3-indolyl-gamma-butyric acid ChemIDplus 4-(indol-3-yl)butyric acid ChemIDplus 4-indol-3-ylbutyric acid ChemIDplus IBA ChemIDplus IBA KEGG_COMPOUND Indolebutyric acid KEGG_COMPOUND Seradix ChemIDplus indole-3-butanoic acid ChemIDplus 0 BF3 InChI=1S/BF3/c2-1(3)4 WTEOIRVLGSZEPR-UHFFFAOYSA-N 67.80621 68.00451 FB(F)F CAS:7637-07-2 Gmelin:1519 boron trifluoride trifluoridoboron trifluoroborane chebi_ontology BF3 Bortrifluorid [BF3] boron fluoride trifluoroboron CHEBI:33093 boron trifluoride CAS:7637-07-2 ChemIDplus CAS:7637-07-2 NIST Chemistry WebBook Gmelin:1519 Gmelin boron trifluoride IUPAC trifluoridoboron IUPAC trifluoroborane IUPAC BF3 IUPAC Bortrifluorid ChEBI [BF3] IUPAC boron fluoride NIST_Chemistry_WebBook trifluoroboron NIST_Chemistry_WebBook A mononitrotoluene that is toluene carrying a nitro substituent at position 2. 0 C7H7NO2 InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3 PLAZTCDQAHEYBI-UHFFFAOYSA-N 137.13600 137.04768 Cc1ccccc1[N+]([O-])=O CAS:88-72-2 KEGG:C19597 MetaCyc:2-NITROTOLUENE PMID:20582618 PMID:21432561 PMID:23153775 PMID:7944378 Reaxys:1907580 Wikipedia:2-Nitrotoluene 1-methyl-2-nitrobenzene 2-nitrotoluene chebi_ontology 2-Nitrotoluol 2-methyl-1-nitrobenzene ONT o-Nitrotoluol o-methylnitrobenzene o-nitrotoluene ortho-Nitrotoluol CHEBI:33098 2-nitrotoluene CAS:88-72-2 ChemIDplus CAS:88-72-2 KEGG COMPOUND CAS:88-72-2 NIST Chemistry WebBook PMID:20582618 Europe PMC PMID:21432561 Europe PMC PMID:23153775 Europe PMC PMID:7944378 Europe PMC Reaxys:1907580 Reaxys 1-methyl-2-nitrobenzene IUPAC 2-nitrotoluene UniProt 2-Nitrotoluol ChemIDplus 2-methyl-1-nitrobenzene ChemIDplus ONT NIST_Chemistry_WebBook o-Nitrotoluol ChEBI o-methylnitrobenzene ChemIDplus o-nitrotoluene ChemIDplus ortho-Nitrotoluol ChemIDplus 0 NO2 InChI=1S/NO2/c2-1-3 JCXJVPUVTGWSNB-UHFFFAOYSA-N 46.00554 45.99290 O=[N]=O CHEBI:29332 CHEBI:29784 CHEBI:39851 CAS:10102-44-0 Gmelin:976 MolBase:939 PDBeChem:2NO NITROGEN DIOXIDE dioxidonitrogen(.) nitrogen dioxide nitrogen(IV) oxide nitrosooxidanyl chebi_ontology (NO2)(.) NO2 NO2(.) ONO(.) Stickstoffdioxid [NO2] nitryl CHEBI:33101 nitrogen dioxide CAS:10102-44-0 ChemIDplus CAS:10102-44-0 NIST Chemistry WebBook Gmelin:976 Gmelin NITROGEN DIOXIDE PDBeChem dioxidonitrogen(.) IUPAC nitrogen dioxide IUPAC nitrogen(IV) oxide IUPAC nitrosooxidanyl IUPAC (NO2)(.) IUPAC NO2 ChEBI NO2(.) IUPAC ONO(.) IUPAC Stickstoffdioxid NIST_Chemistry_WebBook [NO2] MolBase nitryl IUPAC A calcium salt with formula CCaO3. calcium carbonate http://langual.org 0 CCaO3 CO3.Ca InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 VTYYLEPIZMXCLO-UHFFFAOYSA-L 100.087 99.94733 [Ca+2].C(=O)([O-])[O-] BPDB:108 CAS:471-34-1 Codex::170(i) DrugBank:DB06724 Europe::170 KEGG:C08129 KEGG:D00932 PPDB:108 Reaxys:8008338 Wikipedia:Calcium_carbonate http://www.langual.org/langual_thesaurus.asp?termid=B3031 Calcium carbonate calcium carbonate calcium trioxidocarbonate chebi_ontology CaCO3 Calciumcarbonat E 170 Kalziumkarbonat Precipitated calcium carbonate calcium carbonate (1:1) carbonate de calcium carbonato de calcio carbonic acid calcium salt (1:1) kohlensaurer Kalk CHEBI:3311 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, anticaking agent, stabilizer, surface colourant. calcium carbonate CAS:471-34-1 ChemIDplus CAS:471-34-1 KEGG COMPOUND CAS:471-34-1 NIST Chemistry WebBook Reaxys:8008338 Reaxys Calcium carbonate KEGG_COMPOUND calcium carbonate IUPAC calcium trioxidocarbonate IUPAC CaCO3 IUPAC Calciumcarbonat ChEBI E 170 ChEBI Kalziumkarbonat ChEBI Precipitated calcium carbonate KEGG_COMPOUND calcium carbonate (1:1) ChemIDplus carbonate de calcium ChEBI carbonato de calcio ChEBI carbonic acid calcium salt (1:1) ChemIDplus kohlensaurer Kalk ChEBI -1 C10H9N4O2S InChI=1S/C10H9N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2/q-1 SEJJCMKIFGUACV-UHFFFAOYSA-N 249.26900 249.04517 Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 Beilstein:4148387 Gmelin:332468 [(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide chebi_ontology CHEBI:33127 sulfadiazinate Beilstein:4148387 Beilstein Gmelin:332468 Gmelin [(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide IUPAC A cyclic amine whose five-membered ring contains four carbon atoms and one nitrogen atom; the parent compound of the pyrrolidine family. 0 C4H9N InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 RWRDLPDLKQPQOW-UHFFFAOYSA-N 71.123 71.07350 C1CCNC1 Beilstein:102395 CAS:123-75-1 Chemspider:29008 FooDB:FDB007401 Gmelin:1704 HMDB:HMDB0031641 PDBeChem:VES PMID:1221030 PMID:18838771 PMID:20024446 pyrrolidine chebi_ontology 1-azacyclopentane azacyclopentane azolidine butylenimine perhydropyrrole prolamine tetrahydropyrrole tetramethylenimine CHEBI:33135 pyrrolidine Beilstein:102395 Beilstein CAS:123-75-1 ChemIDplus CAS:123-75-1 NIST Chemistry WebBook Gmelin:1704 Gmelin PMID:1221030 Europe PMC PMID:18838771 Europe PMC PMID:20024446 Europe PMC pyrrolidine IUPAC 1-azacyclopentane ChemIDplus azacyclopentane ChemIDplus azolidine ChemIDplus butylenimine ChemIDplus perhydropyrrole ChemIDplus prolamine ChemIDplus tetrahydropyrrole ChemIDplus tetramethylenimine ChemIDplus +1 C3H5N2 InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/p+1 WTKZEGDFNFYCGP-UHFFFAOYSA-O 69.08528 69.04472 c1c[nH][nH+]c1 Beilstein:1560992 Beilstein:6917432 Gmelin:323116 1H-pyrazol-2-ium chebi_ontology H2pz(+) CHEBI:33140 pyrazolium Beilstein:1560992 Beilstein Beilstein:6917432 Beilstein Gmelin:323116 Gmelin 1H-pyrazol-2-ium IUPAC H2pz(+) IUPAC 0 CrH2O4 InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2 KRVSOGSZCMJSLX-UHFFFAOYSA-L 118.00958 117.93582 [H]O[Cr](=O)(=O)O[H] CAS:7738-94-5 Gmelin:25982 chromic acid dihydrogen(tetraaoxidochromate) dihydroxidodioxidochromium chebi_ontology H2CrO4 [CrO2(OH)2] chromic(VI) acid tetraoxochromic acid CHEBI:33143 chromic acid CAS:7738-94-5 ChemIDplus Gmelin:25982 Gmelin chromic acid ChemIDplus dihydrogen(tetraaoxidochromate) IUPAC dihydroxidodioxidochromium IUPAC H2CrO4 IUPAC [CrO2(OH)2] ChEBI chromic(VI) acid ChemIDplus tetraoxochromic acid IUPAC A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in chromic acid. -1 CrHO4 InChI=1S/Cr.H2O.3O/h;1H2;;;/q+1;;;;-1/p-1 SNQOSLDJBAESSM-UHFFFAOYSA-M 117.00164 116.92854 [H]O[Cr]([O-])(=O)=O Gmelin:81997 hydrogen(tetraoxidochromate)(1-) hydroxidodioxidochromate(1-) chebi_ontology HCrO4(-) [CrO3(OH)](-) hydrogen chromate CHEBI:33144 hydrogenchromate Gmelin:81997 Gmelin hydrogen(tetraoxidochromate)(1-) IUPAC hydroxidodioxidochromate(1-) IUPAC HCrO4(-) IUPAC [CrO3(OH)](-) ChEBI hydrogen chromate IUPAC -1 C7H5N2 InChI=1S/C7H5N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H/q-1 KLTWGRFNJPLFDA-UHFFFAOYSA-N 117.12808 117.04582 c1ccc2[n-]cnc2c1 Beilstein:3904522 Gmelin:326519 benzimidazol-1-ide chebi_ontology bim bzim CHEBI:33173 benzimidazolide Beilstein:3904522 Beilstein Gmelin:326519 Gmelin benzimidazol-1-ide IUPAC bim IUPAC bzim IUPAC A dinitrile that is methane substituted by two cyano groups. 0 C3H2N2 InChI=1S/C3H2N2/c4-2-1-3-5/h1H2 CUONGYYJJVDODC-UHFFFAOYSA-N 66.06140 66.02180 N#CCC#N Beilstein:773697 CAS:109-77-3 Gmelin:1303 PMID:24683341 Reaxys:773697 Wikipedia:Malononitrile malononitrile chebi_ontology Malonsaeuredinitril dicyanmethane dicyanomethane propanedinitrile CHEBI:33186 malononitrile Beilstein:773697 Beilstein CAS:109-77-3 ChemIDplus CAS:109-77-3 NIST Chemistry WebBook Gmelin:1303 Gmelin PMID:24683341 Europe PMC Reaxys:773697 Reaxys malononitrile IUPAC Malonsaeuredinitril ChEBI dicyanmethane ChemIDplus dicyanomethane NIST_Chemistry_WebBook propanedinitrile NIST_Chemistry_WebBook 0 C3N2O InChI=1S/C3N2O/c4-1-3(6)2-5 JSGHQDAEHDRLOI-UHFFFAOYSA-N 80.04498 80.00106 O=C(C#N)C#N Beilstein:1699394 CAS:1115-12-4 Gmelin:217598 carbonyl dicyanide oxomalononitrile chebi_ontology NC-CO-CN mesoxalonitrile oxopropanedinitrile CHEBI:33187 oxomalononitrile Beilstein:1699394 Beilstein CAS:1115-12-4 ChemIDplus CAS:1115-12-4 NIST Chemistry WebBook Gmelin:217598 Gmelin carbonyl dicyanide IUPAC oxomalononitrile IUPAC NC-CO-CN IUPAC mesoxalonitrile ChemIDplus oxopropanedinitrile NIST_Chemistry_WebBook 0 C3H2N4 InChI=1S/C3H2N4/c4-1-3(2-5)7-6/h6H2 NYVGCXQGEYONIC-UHFFFAOYSA-N 94.07494 94.02795 NN=C(C#N)C#N Beilstein:1903731 carbonohydrazonoyl dicyanide chebi_ontology NC-C(=NNH2)-CN CHEBI:33189 hydrazonomalononitrile Beilstein:1903731 Beilstein carbonohydrazonoyl dicyanide IUPAC NC-C(=NNH2)-CN IUPAC A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. 0 C4H4N2O2S InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) RVBUGGBMJDPOST-UHFFFAOYSA-N 144.15284 143.99935 O=C1CC(=O)NC(=S)N1 Beilstein:120663 CAS:504-17-6 Gmelin:101333 PMID:18401456 PMID:22467201 PMID:22506924 PMID:23411186 PMID:23523734 PMID:23792287 PMID:23832025 PMID:23896130 PMID:3654008 Reaxys:120663 Wikipedia:Thiobarbituric_acid 2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione chebi_ontology 2-thioxodihydropyrimidine-4,6(1H,5H)-dione dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione thiobarbituric acid CHEBI:33202 2-thiobarbituric acid Beilstein:120663 Beilstein CAS:504-17-6 ChemIDplus Gmelin:101333 Gmelin PMID:18401456 Europe PMC PMID:22467201 Europe PMC PMID:22506924 Europe PMC PMID:23411186 Europe PMC PMID:23523734 Europe PMC PMID:23792287 Europe PMC PMID:23832025 Europe PMC PMID:23896130 Europe PMC PMID:3654008 Europe PMC Reaxys:120663 Reaxys 2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione IUPAC 2-thioxodihydropyrimidine-4,6(1H,5H)-dione IUPAC dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione ChemIDplus thiobarbituric acid ChemIDplus A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. 0 C15H16O2 InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 IISBACLAFKSPIT-UHFFFAOYSA-N 228.291 228.11503 CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 CHEBI:22900 CHEBI:31295 CHEBI:47094 CAS:80-05-7 DrugBank:DB06973 HMDB:HMDB0032133 KEGG:C13624 LINCS:LSM-37080 PDBeChem:2OH PMID:10593191 PMID:11361040 PMID:12860292 PMID:15936980 PMID:16904728 PMID:24471646 PMID:25042713 PMID:25148994 PMID:25524584 PMID:25569640 PMID:25637671 PMID:25663485 Reaxys:1107700 UM-BBD_compID:c0764 Wikipedia:Bisphenol_A 4,4'-(propane-2,2-diyl)diphenol Bisphenol A bisphenol A chebi_ontology 2, 2-Bis(4-hydroxyphenyl)propane 2,2-Bis(4'-hydroxyphenyl)propane 2,2-Bis(4-Hydroxyphenyl)propane 2,2-Bis(p-hydroxyphenyl)propane 2,2-Di(4-hydroxyphenyl)propane 2,2-Di(4-phenylol)propane 4,4'-(1-Methylethane-1,1-diyl)diphenol 4,4'-(1-Methylethylidene)bisphenol 4,4'-(Propane-2,2-diyl)diphenol 4,4'-Bisphenol A 4,4'-Isopropylidenediphenol BPA Dianin's compound bisphenol-A CHEBI:33216 bisphenol A CAS:80-05-7 ChemIDplus CAS:80-05-7 KEGG COMPOUND CAS:80-05-7 NIST Chemistry WebBook PMID:10593191 Europe PMC PMID:11361040 Europe PMC PMID:12860292 Europe PMC PMID:15936980 Europe PMC PMID:16904728 Europe PMC PMID:24471646 Europe PMC PMID:25042713 Europe PMC PMID:25148994 Europe PMC PMID:25524584 Europe PMC PMID:25569640 Europe PMC PMID:25637671 Europe PMC PMID:25663485 Europe PMC Reaxys:1107700 Reaxys UM-BBD_compID:c0764 UM-BBD 4,4'-(propane-2,2-diyl)diphenol IUPAC Bisphenol A KEGG_COMPOUND bisphenol A UniProt 2, 2-Bis(4-hydroxyphenyl)propane HMDB 2,2-Bis(4'-hydroxyphenyl)propane HMDB 2,2-Bis(4-Hydroxyphenyl)propane KEGG_COMPOUND 2,2-Bis(p-hydroxyphenyl)propane ChemIDplus 2,2-Di(4-hydroxyphenyl)propane ChemIDplus 2,2-Di(4-phenylol)propane ChemIDplus 4,4'-(1-Methylethane-1,1-diyl)diphenol HMDB 4,4'-(1-Methylethylidene)bisphenol ChemIDplus 4,4'-(Propane-2,2-diyl)diphenol HMDB 4,4'-Bisphenol A ChemIDplus 4,4'-Isopropylidenediphenol ChemIDplus BPA HMDB Dianin's compound ChEBI bisphenol-A ChEBI A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. 0 C15H12Br4O2 InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3 VEORPZCZECFIRK-UHFFFAOYSA-N 543.87058 539.75708 CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1 CHEBI:19864 CHEBI:32196 CAS:79-94-7 KEGG:C13620 PMID:17784851 PMID:24060738 PMID:24709479 PMID:25042713 Reaxys:1889048 UM-BBD_compID:c0763 Wikipedia:Tetrabromobisphenol_A 3,3',5,5'-Tetrabromobisphenol A 4,4'-(propane-2,2-diyl)bis(2,6-dibromophenol) chebi_ontology 2,2',6,6'-Tetrabromobisphenol A 2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane 4,4'-(1-Methylethylidene)bis(2,6-dibromophenol) 4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol 4,4'-Isopropylidenebis(2,6-dibromophenol) Tetrabromobisphenol A tetrabromobisphenol-A CHEBI:33217 3,3',5,5'-tetrabromobisphenol A CAS:79-94-7 ChemIDplus CAS:79-94-7 KEGG COMPOUND PMID:17784851 Europe PMC PMID:24060738 Europe PMC PMID:24709479 Europe PMC PMID:25042713 Europe PMC Reaxys:1889048 Reaxys UM-BBD_compID:c0763 UM-BBD 3,3',5,5'-Tetrabromobisphenol A KEGG_COMPOUND 4,4'-(propane-2,2-diyl)bis(2,6-dibromophenol) IUPAC 2,2',6,6'-Tetrabromobisphenol A ChemIDplus 2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane ChemIDplus 4,4'-(1-Methylethylidene)bis(2,6-dibromophenol) ChemIDplus 4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol NIST_Chemistry_WebBook 4,4'-Isopropylidenebis(2,6-dibromophenol) ChemIDplus Tetrabromobisphenol A KEGG_COMPOUND tetrabromobisphenol-A ChEBI A benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3. 0 C9H10O InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2 VZWXIQHBIQLMPN-UHFFFAOYSA-N 134.17510 134.07316 C1COc2ccccc2C1 Beilstein:116150 CAS:493-08-3 Gmelin:122981 Reaxys:116150 3,4-dihydro-2H-chromene chromane chebi_ontology 3,4-dihydro-2H-1-benzopyran 3,4-dihydrobenzo[b]pyran Chroman CHEBI:33224 chromane Beilstein:116150 Beilstein CAS:493-08-3 ChemIDplus CAS:493-08-3 NIST Chemistry WebBook Gmelin:122981 Gmelin Reaxys:116150 Reaxys 3,4-dihydro-2H-chromene IUPAC chromane IUPAC 3,4-dihydro-2H-1-benzopyran NIST_Chemistry_WebBook 3,4-dihydrobenzo[b]pyran ChEBI Chroman NIST_Chemistry_WebBook A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines. CHEBI:10004 CHEBI:27305 Wikipedia:Vitamin chebi_ontology vitamin vitamina vitaminas vitamine vitamines vitamins vitaminum CHEBI:33229 vitamin (role) vitamin ChEBI vitamina ChEBI vitaminas ChEBI vitamine ChEBI vitamines ChEBI vitamins ChEBI vitaminum ChEBI A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. chebi_ontology antitubercular antitubercular agents antitubercular drug antitubercular drugs tuberculostatic agent CHEBI:33231 antitubercular agent antitubercular ChEBI antitubercular agents ChEBI antitubercular drug ChEBI antitubercular drugs ChEBI tuberculostatic agent ChEBI Intended use of the molecular entity or part thereof by humans. chebi_ontology CHEBI:33232 application A particle not known to have substructure. elementary particle chebi_ontology elementary particles CHEBI:33233 fundamental particle elementary particle IUPAC elementary particles ChEBI Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen. d-alpha-tocopherol vitamin e http://langual.org MetaCyc:Vitamin-E PMID:33684201 PMID:33847203 PMID:33896432 PMID:34277234 PMID:34278890 PMID:7898412 PMID:7901680 Wikipedia:Vitamin_E http://www.langual.org/langual_thesaurus.asp?termid=B3753 http://www.langual.org/langual_thesaurus.asp?termid=B3784 vitamin E chebi_ontology vitamin E vitamer vitamin E vitamers vitamin-E vitamins E CHEBI:33234 vitamin E vitamin E PMID:33684201 Europe PMC PMID:33847203 Europe PMC PMID:33896432 Europe PMC PMID:34277234 Europe PMC PMID:34278890 Europe PMC PMID:7898412 Europe PMC PMID:7901680 Europe PMC vitamin E ChemIDplus vitamin E vitamer ChEBI vitamin E vitamers ChEBI vitamin-E ChEBI vitamins E ChEBI A monoatomic entity is a molecular entity consisting of a single atom. chebi_ontology atomic entity monoatomic entities CHEBI:33238 monoatomic entity atomic entity ChEBI monoatomic entities ChEBI An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands). coordination entities coordination entity chebi_ontology coordination compounds CHEBI:33240 coordination entity coordination entities IUPAC coordination entity IUPAC coordination compounds ChEBI chebi_ontology oxoacid derivatives CHEBI:33241 oxoacid derivative oxoacid derivatives ChEBI chebi_ontology inorganic hydrides CHEBI:33242 inorganic hydride inorganic hydrides ChEBI An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. chebi_ontology organic fundamental parents organic parent hydrides CHEBI:33245 organic fundamental parent organic fundamental parents ChEBI organic parent hydrides ChEBI Any substituent group which does not contain carbon. chebi_ontology inorganic groups CHEBI:33246 inorganic group inorganic groups ChEBI Any substituent group or skeleton containing carbon. chebi_ontology organic groups CHEBI:33247 organic group organic groups ChEBI A univalent group formed by removing a hydrogen atom from a hydrocarbon. hydrocarbyl group hydrocarbyl groups chebi_ontology groupe hydrocarbyle grupo hidrocarbilo grupos hidrocarbilo CHEBI:33248 hydrocarbyl group hydrocarbyl group IUPAC hydrocarbyl groups IUPAC groupe hydrocarbyle IUPAC grupo hidrocarbilo IUPAC grupos hidrocarbilo IUPAC Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. organyl group organyl groups chebi_ontology groupe organyle grupo organilo grupos organilo CHEBI:33249 organyl group organyl group IUPAC organyl groups IUPAC groupe organyle IUPAC grupo organilo IUPAC grupos organilo IUPAC A chemical entity constituting the smallest component of an element having the chemical properties of the element. CHEBI:22671 CHEBI:23907 atom chebi_ontology atome atomo atoms atomus element elements CHEBI:33250 atom atom IUPAC atome IUPAC atomo IUPAC atoms ChEBI atomus ChEBI element ChEBI elements ChEBI A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. nucleus chebi_ontology Atomkern Kern noyau noyau atomique nuclei nucleo nucleo atomico nucleus atomi CHEBI:33252 atomic nucleus nucleus IUPAC Atomkern ChEBI Kern ChEBI noyau IUPAC noyau atomique ChEBI nuclei ChEBI nucleo IUPAC nucleo atomico ChEBI nucleus atomi ChEBI Heavy nuclear particle: proton or neutron. nucleon chebi_ontology Nukleon Nukleonen nucleons CHEBI:33253 nucleon nucleon IUPAC nucleon IUPAC Nukleon ChEBI Nukleonen ChEBI nucleons ChEBI 0 HgR 200.599 201.97064 CHEBI:22336 CHEBI:2589 KEGG:C01343 KEGG:C01886 chebi_ontology Alkylmercury Alkylmercury ion RHg+ alkylmercury compounds CHEBI:33255 alkylmercury compound Alkylmercury KEGG_COMPOUND Alkylmercury ion KEGG_COMPOUND RHg+ KEGG_COMPOUND alkylmercury compounds ChEBI A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. primary amide primary amides chebi_ontology CHEBI:33256 primary amide primary amide IUPAC primary amides IUPAC A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group. secondary amide secondary amides chebi_ontology CHEBI:33257 secondary amide secondary amide IUPAC secondary amides IUPAC A molecular entity all atoms of which have the same atomic number. chebi_ontology homoatomic entity homoatomic molecular entities homoatomic molecular entity CHEBI:33259 elemental molecular entity homoatomic entity ChEBI homoatomic molecular entities ChEBI homoatomic molecular entity ChEBI elemental hydrogen An organosulfur compound is a compound containing at least one carbon-sulfur bond. CHEBI:23010 CHEBI:25714 Wikipedia:Organosulfur_compounds organosulfur compound chebi_ontology organosulfur compounds CHEBI:33261 organosulfur compound organosulfur compound ChEBI organosulfur compounds ChEBI chebi_ontology CHEBI:33262 elemental oxygen 0 O2 31.999 31.98983 chebi_ontology CHEBI:33263 diatomic oxygen triatomic oxygen 0 N2 28.013 28.00615 chebi_ontology CHEBI:33266 diatomic nitrogen chebi_ontology CHEBI:33267 elemental nitrogen An anion consisting of more than one atom. chebi_ontology polyatomic anions CHEBI:33273 polyatomic anion polyatomic anions ChEBI chebi_ontology chemical messenger CHEBI:33280 molecular messenger chemical messenger ChEBI A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. CHEBI:22582 PMID:12964249 PMID:22117953 PMID:22439833 PMID:22849268 PMID:22849276 PMID:22958833 chebi_ontology Antibiotika Antibiotikum antibiotic antibiotics antibiotique antimicrobial antimicrobial agents antimicrobials microbicide microbicides CHEBI:33281 antimicrobial agent PMID:12964249 Europe PMC PMID:12964249 Europe PMC PMID:22117953 Europe PMC PMID:22117953 Europe PMC PMID:22439833 Europe PMC PMID:22439833 Europe PMC PMID:22849268 Europe PMC PMID:22849268 Europe PMC PMID:22849276 Europe PMC PMID:22849276 Europe PMC PMID:22958833 Europe PMC PMID:22958833 Europe PMC Antibiotika ChEBI Antibiotikum ChEBI antibiotic ChEBI antibiotics ChEBI antibiotique IUPAC antimicrobial ChEBI antimicrobial agents ChEBI antimicrobials ChEBI microbicide ChEBI microbicides ChEBI A substance (or active part thereof) that kills or slows the growth of bacteria. chebi_ontology antibacterial agents antibacterials bactericide bactericides CHEBI:33282 antibacterial agent antibacterial agents ChEBI antibacterials ChEBI bactericide ChEBI bactericides ChEBI A nutrient is a food component that an organism uses to survive and grow. chebi_ontology nutrients CHEBI:33284 nutrient nutrients ChEBI A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. chebi_ontology heteroorganic entities organoelement compounds CHEBI:33285 heteroorganic entity heteroorganic entities ChEBI organoelement compounds ChEBI An agrochemical is a substance that is used in agriculture or horticulture. Wikipedia:Agrochemical chebi_ontology agrichemical agrichemicals agricultural chemicals agrochemicals CHEBI:33286 agrochemical agrichemical ChEBI agrichemicals ChEBI agricultural chemicals ChEBI agrochemicals ChEBI A fertilizer is any substance that is added to soil or water to assist the growth of plants. chebi_ontology fertiliser fertilizers CHEBI:33287 fertilizer fertiliser ChEBI fertilizers ChEBI A substance used to destroy rodent pests. Wikipedia:Rodenticide chebi_ontology rodenticides CHEBI:33288 rodenticide rodenticides ChEBI A substance used to destroy bird pests (class Aves). Wikipedia:Avicide chebi_ontology avicides CHEBI:33289 avicide avicides ChEBI food role A physiological role played by any substance of either plant, animal or artificial origin which contains essential body nutrients that can be ingested by an organism to provide energy, promote growth, and maintain the processes of life. Any material that can be ingested by an organism. chebi_ontology food material food materials food role foods foodstuff foodstuffs CHEBI:33290 food food material ChEBI food materials ChEBI food role ChEBI foods ChEBI foodstuff ChEBI foodstuffs ChEBI An energy-rich substance that can be transformed with release of usable energy. chebi_ontology CHEBI:33292 fuel A substance administered to aid diagnosis of a disease. chebi_ontology diagnostic aid CHEBI:33295 diagnostic agent diagnostic aid ChEBI A molecular entity containing one or more atoms of an alkali metal. chebi_ontology alkali metal molecular entities CHEBI:33296 alkali metal molecular entity alkali metal molecular entities ChEBI lithium molecular entity chebi_ontology lithium compounds lithium molecular entities CHEBI:33298 lithium molecular entity lithium molecular entity ChEBI lithium compounds ChEBI lithium molecular entities ChEBI An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal. alkaline earth molecular entity chebi_ontology alkaline earth compounds alkaline earth molecular entities alkaline-earth compounds CHEBI:33299 alkaline earth molecular entity alkaline earth molecular entity ChEBI alkaline earth compounds ChEBI alkaline earth molecular entities ChEBI alkaline-earth compounds ChEBI Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. pnictogens chebi_ontology group 15 elements group V elements nitrogenoideos nitrogenoides pnictogene pnictogenes CHEBI:33300 pnictogen pnictogens IUPAC group 15 elements ChEBI group V elements ChEBI nitrogenoideos ChEBI nitrogenoides ChEBI pnictogene ChEBI pnictogenes ChEBI 0 Bi InChI=1S/Bi JCXGWMGPZLAOME-UHFFFAOYSA-N 208.98038 208.98040 [Bi] CAS:7440-69-9 WebElements:Bi bismuth chebi_ontology 83Bi Bi Bismut Wismut bismuth bismuto CHEBI:33301 bismuth atom CAS:7440-69-9 ChemIDplus bismuth IUPAC 83Bi IUPAC Bi IUPAC Bismut ChEBI Wismut ChEBI bismuth ChEBI bismuto ChEBI A p-block molecular entity containing any pnictogen. pnictogen molecular entity chebi_ontology pnictogen molecular entities CHEBI:33302 pnictogen molecular entity pnictogen molecular entity ChEBI pnictogen molecular entities ChEBI Any p-block element belonging to the group 16 family of the periodic table. PMID:17084588 chalcogen chalcogens chebi_ontology Chalkogen Chalkogene anfigeno anfigenos calcogeno calcogenos chalcogene chalcogenes group 16 elements group VI elements CHEBI:33303 chalcogen PMID:17084588 Europe PMC PMID:17084588 Europe PMC chalcogen IUPAC chalcogens IUPAC Chalkogen ChEBI Chalkogene ChEBI anfigeno ChEBI anfigenos ChEBI calcogeno ChEBI calcogenos ChEBI chalcogene ChEBI chalcogenes ChEBI group 16 elements ChEBI group VI elements ChEBI Any p-block molecular entity containing a chalcogen. chalcogen molecular entity chebi_ontology chalcogen compounds chalcogen molecular entities CHEBI:33304 chalcogen molecular entity chalcogen molecular entity ChEBI chalcogen compounds ChEBI chalcogen molecular entities ChEBI tellurium molecular entity chebi_ontology tellurium compounds tellurium molecular entities CHEBI:33305 tellurium molecular entity tellurium molecular entity ChEBI tellurium compounds ChEBI tellurium molecular entities ChEBI group 14 elements chebi_ontology carbon group element carbon group elements carbonoides cristallogene cristallogenes group IV elements CHEBI:33306 carbon group element atom group 14 elements IUPAC carbon group element ChEBI carbon group elements ChEBI carbonoides ChEBI cristallogene ChEBI cristallogenes ChEBI group IV elements ChEBI An organic acid in which one or both oxygens of a carboxy group have been replaced by divalent sulfur. carbothioic acids thiocarboxylic acid thiocarboxylic acids chebi_ontology thiocarboxylic acids CHEBI:33307 thiocarboxylic acid carbothioic acids IUPAC thiocarboxylic acid IUPAC thiocarboxylic acids IUPAC thiocarboxylic acids ChEBI An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl. 0 CO2R2 44.010 43.98983 [*]C(=O)O[*] CHEBI:13204 CHEBI:23028 CHEBI:3408 KEGG:C02391 Wikipedia:Ester Carboxylic ester carboxylic esters chebi_ontology a carboxylic ester carboxylic acid esters CHEBI:33308 carboxylic ester Carboxylic ester KEGG_COMPOUND carboxylic esters IUPAC a carboxylic ester UniProt carboxylic acid esters ChEBI noble gas noble gases chebi_ontology Edelgas Edelgase gas noble gases nobles gaz noble gaz nobles group 18 elements group VIII elements inert gases noble gas rare gases CHEBI:33309 noble gas atom noble gas IUPAC noble gases IUPAC Edelgas ChEBI Edelgase ChEBI gas noble ChEBI gases nobles ChEBI gaz noble ChEBI gaz nobles ChEBI group 18 elements IUPAC group VIII elements ChEBI inert gases ChEBI noble gas ChEBI rare gases ChEBI 0 Rn InChI=1S/Rn SYUHGPGVQRZVTB-UHFFFAOYSA-N 222.00000 222.00000 [Rn] CAS:10043-92-2 Gmelin:16242 WebElements:Rn radon chebi_ontology 86Rn Rn niton radium emanation radon CHEBI:33314 radon atom CAS:10043-92-2 ChemIDplus CAS:10043-92-2 NIST Chemistry WebBook Gmelin:16242 Gmelin radon IUPAC 86Rn IUPAC Rn IUPAC niton ChemIDplus radium emanation ChemIDplus radon ChEBI group 13 elements chebi_ontology Element der Borgruppe boron group element boron group elements group III elements CHEBI:33317 boron group element atom group 13 elements IUPAC Element der Borgruppe ChEBI boron group element ChEBI boron group elements ChEBI group III elements ChEBI An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. main group elements chebi_ontology Hauptgruppenelement Hauptgruppenelemente main group element CHEBI:33318 main group element atom main group elements IUPAC Hauptgruppenelement ChEBI Hauptgruppenelemente ChEBI main group element ChEBI actinoids chebi_ontology Actinoid Actinoide Actinoidenelemente Actinoidengruppe Aktinoide Aktinoidenelemente An actinide actinides actinoid CHEBI:33320 actinoid atom actinoids IUPAC Actinoid ChEBI Actinoide ChEBI Actinoidenelemente ChEBI Actinoidengruppe ChEBI Aktinoide ChEBI Aktinoidenelemente ChEBI An ChEBI actinide ChEBI actinides ChEBI actinoid ChEBI 0 Sr InChI=1S/Sr CIOAGBVUUVVLOB-UHFFFAOYSA-N 87.62000 87.90561 [Sr] CAS:7440-24-6 WebElements:Sr strontium chebi_ontology 38Sr Sr estroncio strontium CHEBI:33324 strontium atom CAS:7440-24-6 ChemIDplus CAS:7440-24-6 NIST Chemistry WebBook strontium IUPAC 38Sr IUPAC Sr IUPAC estroncio ChEBI strontium ChEBI chebi_ontology oxides of silicon silicon oxides CHEBI:33327 silicon oxide oxides of silicon ChEBI silicon oxides ChEBI silicon hydride chebi_ontology silicon hydrides CHEBI:33329 silicon hydride silicon hydride ChEBI silicon hydrides ChEBI A group derived from an arene by removal of a hydrogen atom from a ring carbon atom. aryl groups chebi_ontology Arylgruppe groupe aryle grupos arilo CHEBI:33338 aryl group aryl groups IUPAC Arylgruppe ChEBI groupe aryle IUPAC grupos arilo IUPAC group 12 elements chebi_ontology zinc group element zinc group elements CHEBI:33340 zinc group element atom group 12 elements IUPAC zinc group element ChEBI zinc group elements ChEBI 0 Ti InChI=1S/Ti RTAQQCXQSZGOHL-UHFFFAOYSA-N 47.86700 47.94794 [Ti] CAS:7440-32-6 WebElements:Ti titanium chebi_ontology 22Ti Ti Titan titane titanio titanium CHEBI:33341 titanium atom CAS:7440-32-6 ChemIDplus CAS:7440-32-6 NIST Chemistry WebBook titanium IUPAC 22Ti IUPAC Ti IUPAC Titan ChEBI titane ChEBI titanio ChEBI titanium ChEBI 0 Zr InChI=1S/Zr QCWXUUIWCKQGHC-UHFFFAOYSA-N 91.22400 89.90470 [Zr] CAS:7440-67-7 WebElements:Zr zirconium chebi_ontology 40Zr Zirkonium Zr circonio zirconio zirconium CHEBI:33342 zirconium atom CAS:7440-67-7 ChemIDplus CAS:7440-67-7 NIST Chemistry WebBook zirconium IUPAC 40Zr IUPAC Zirkonium ChEBI Zr IUPAC circonio ChEBI zirconio ChEBI zirconium ChEBI 0 Hf InChI=1S/Hf VBJZVLUMGGDVMO-UHFFFAOYSA-N 178.49000 179.94656 [Hf] CAS:7440-58-6 WebElements:Hf hafnium chebi_ontology 72Hf Hf hafnio hafnium CHEBI:33343 hafnium atom CAS:7440-58-6 ChemIDplus CAS:7440-58-6 NIST Chemistry WebBook hafnium IUPAC 72Hf IUPAC Hf IUPAC hafnio ChEBI hafnium ChEBI group 4 elements chebi_ontology titanium group element titanium group elements CHEBI:33345 titanium group element atom group 4 elements IUPAC titanium group element ChEBI titanium group elements ChEBI group 5 elements chebi_ontology vanadium group element vanadium group elements CHEBI:33347 vanadium group element atom group 5 elements IUPAC vanadium group element ChEBI vanadium group elements ChEBI 0 Ta InChI=1S/Ta GUVRBAGPIYLISA-UHFFFAOYSA-N 180.94790 180.94800 [Ta] CAS:7440-25-7 WebElements:Ta tantalum chebi_ontology 73Ta Ta Tantal tantale tantalo tantalum CHEBI:33348 tantalum atom CAS:7440-25-7 ChemIDplus CAS:7440-25-7 NIST Chemistry WebBook tantalum IUPAC 73Ta IUPAC Ta IUPAC Tantal ChEBI tantale ChEBI tantalo ChEBI tantalum ChEBI group 6 elements chebi_ontology chromium group element chromium group elements CHEBI:33350 chromium group element atom group 6 elements IUPAC chromium group element ChEBI chromium group elements ChEBI group 7 elements chebi_ontology manganese group element manganese group elements CHEBI:33352 manganese group element atom group 7 elements IUPAC manganese group element ChEBI manganese group elements ChEBI 0 Tc InChI=1S/Tc GKLVYJBZJHMRIY-UHFFFAOYSA-N 98.00000 97.00000 [Tc] CAS:7440-26-8 Gmelin:16310 WebElements:Tc technetium chebi_ontology 43Tc Tc Technetium technetium tecnecio CHEBI:33353 technetium atom CAS:7440-26-8 ChemIDplus CAS:7440-26-8 NIST Chemistry WebBook Gmelin:16310 Gmelin technetium IUPAC 43Tc IUPAC Tc IUPAC Technetium ChEBI technetium ChEBI tecnecio ChEBI group 8 elements chebi_ontology iron group element iron group elements CHEBI:33356 iron group element atom group 8 elements IUPAC iron group element ChEBI iron group elements ChEBI group 9 elements chebi_ontology cobalt group element cobalt group elements CHEBI:33358 cobalt group element atom group 9 elements IUPAC cobalt group element ChEBI cobalt group elements ChEBI A cobalt group element atom of atomic number 45. 0 Rh InChI=1S/Rh MHOVAHRLVXNVSD-UHFFFAOYSA-N 102.90550 102.90550 [Rh] CAS:7440-16-6 PMID:2936374 WebElements:Rh Wikipedia:Rhodium rhodium chebi_ontology 45Rh Rh rhodium rodio CHEBI:33359 rhodium atom CAS:7440-16-6 ChemIDplus CAS:7440-16-6 NIST Chemistry WebBook PMID:2936374 Europe PMC rhodium IUPAC 45Rh IUPAC Rh ChEBI rhodium ChEBI rodio ChEBI group 10 elements chebi_ontology nickel group element nickel group elements CHEBI:33362 nickel group element atom group 10 elements IUPAC nickel group element ChEBI nickel group elements ChEBI 0 Pt InChI=1S/Pt BASFCYQUMIYNBI-UHFFFAOYSA-N 195.078 194.96479 [Pt] CAS:7440-06-4 WebElements:Pt platinum chebi_ontology 78Pt Platin Pt platine platino CHEBI:33364 platinum CAS:7440-06-4 ChemIDplus CAS:7440-06-4 NIST Chemistry WebBook platinum IUPAC 78Pt IUPAC Platin ChEBI Pt IUPAC platine ChEBI platino ChEBI chebi_ontology PGM Platinmetalle Platinoide platinoid platinum group metal platinum group metals platinum metals CHEBI:33365 platinum group metal atom PGM ChEBI Platinmetalle ChEBI Platinoide ChEBI platinoid ChEBI platinum group metal ChEBI platinum group metals ChEBI platinum metals ChEBI group 11 elements chebi_ontology coinage metals copper group element copper group elements CHEBI:33366 copper group element atom group 11 elements IUPAC coinage metals ChEBI copper group element ChEBI copper group elements ChEBI 0 [99Tc] InChI=1S/Tc/i1+1 GKLVYJBZJHMRIY-OUBTZVSYSA-N 98.906 98.90625 [99Tc] CAS:14133-76-7 Gmelin:41657 technetium-99 chebi_ontology (99)43Tc (99)Tc technetium, isotope of mass 99 CHEBI:33371 technetium-99 CAS:14133-76-7 ChemIDplus Gmelin:41657 Gmelin technetium-99 IUPAC (99)43Tc IUPAC (99)Tc IUPAC technetium, isotope of mass 99 ChemIDplus 0 Th InChI=1S/Th ZSLUVFAKFWKJRC-UHFFFAOYSA-N 232.03810 232.03806 [Th] CAS:7440-29-1 KEGG:C19157 WebElements:Th thorium chebi_ontology 90Th Th torio CHEBI:33385 thorium CAS:7440-29-1 ChemIDplus CAS:7440-29-1 KEGG COMPOUND CAS:7440-29-1 NIST Chemistry WebBook thorium IUPAC 90Th IUPAC Th IUPAC torio ChEBI chebi_ontology oxoacids of sulfur sulfur oxoacids CHEBI:33402 sulfur oxoacid oxoacids of sulfur ChEBI sulfur oxoacids ChEBI A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group. 0 C3H6O3 InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ALRHLSYJTWAHJZ-UHFFFAOYSA-N 90.07794 90.03169 OCCC(O)=O CHEBI:1553 CHEBI:20071 CHEBI:40000 Beilstein:773806 CAS:503-66-2 DrugBank:DB03688 Gmelin:26307 HMDB:HMDB0000700 KEGG:C01013 LIPID_MAPS_instance:LMFA01050003 PDBeChem:3OH PMID:21723339 PMID:23022570 PMID:23192305 PMID:23473969 PMID:8155818 Reaxys:773806 3-Hydroxypropionic acid 3-hydroxypropanoic acid chebi_ontology 3-HYDROXY-PROPANOIC ACID 3-Hydroxypropanoic acid Hydracrylic acid beta-hydroxypropionic acid CHEBI:33404 3-hydroxypropionic acid Beilstein:773806 Beilstein CAS:503-66-2 ChemIDplus CAS:503-66-2 KEGG COMPOUND Gmelin:26307 Gmelin LIPID_MAPS_instance:LMFA01050003 LIPID MAPS PMID:21723339 Europe PMC PMID:23022570 Europe PMC PMID:23192305 Europe PMC PMID:23473969 Europe PMC PMID:8155818 Europe PMC Reaxys:773806 Reaxys 3-Hydroxypropionic acid KEGG_COMPOUND 3-hydroxypropanoic acid IUPAC 3-HYDROXY-PROPANOIC ACID PDBeChem 3-Hydroxypropanoic acid KEGG_COMPOUND Hydracrylic acid KEGG_COMPOUND beta-hydroxypropionic acid ChemIDplus A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). hydracid chebi_ontology hydracids CHEBI:33405 hydracid hydracid IUPAC hydracids ChEBI organoarsenic compound chebi_ontology organoarsenic compounds CHEBI:33406 organoarsenic compound organoarsenic compound ChEBI organoarsenic compounds ChEBI arsenic oxoacid chebi_ontology arsenic oxoacids oxoacids of arsenic CHEBI:33407 arsenic oxoacid arsenic oxoacid ChEBI arsenic oxoacids ChEBI oxoacids of arsenic ChEBI chebi_ontology pnictogen oxoacids CHEBI:33408 pnictogen oxoacid pnictogen oxoacids ChEBI -1 CH4AsO3 InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-1 QYPPRTNMGCREIM-UHFFFAOYSA-M 138.96226 138.93819 C[As](O)([O-])=O hydrogen methylarsonate chebi_ontology MeAsO2(OH)(-) [As(CH3)O2(OH)](-) methylarsonate CHEBI:33409 methylarsonate(1-) hydrogen methylarsonate IUPAC MeAsO2(OH)(-) ChEBI [As(CH3)O2(OH)](-) ChEBI methylarsonate UniProt CAS:7440-44-0 CAS:82600-58-6 Gmelin:8868 chebi_ontology carbon CHEBI:33415 elemental carbon CAS:7440-44-0 ChemIDplus CAS:7440-44-0 NIST Chemistry WebBook CAS:82600-58-6 NIST Chemistry WebBook Gmelin:8868 Gmelin carbon ChemIDplus sulfur oxoacid derivative chebi_ontology sulfur oxoacid derivatives CHEBI:33424 sulfur oxoacid derivative sulfur oxoacid derivative ChEBI sulfur oxoacid derivatives ChEBI halogen oxoacid chebi_ontology halogen oxoacids CHEBI:33425 halogen oxoacid halogen oxoacid ChEBI halogen oxoacids ChEBI chlorine oxoacid chebi_ontology chlorine oxoacids CHEBI:33426 chlorine oxoacid chlorine oxoacid ChEBI chlorine oxoacids ChEBI bromine oxoacid chebi_ontology bromine oxoacids CHEBI:33427 bromine oxoacid bromine oxoacid ChEBI bromine oxoacids ChEBI -1 0.00000 [*-] chebi_ontology monoatomic monoanions CHEBI:33429 monoatomic monoanion monoatomic monoanions ChEBI chebi_ontology CHEBI:33431 elemental chlorine 0 Cl 35.453 34.96885 chebi_ontology atomic chlorine CHEBI:33432 monoatomic chlorine atomic chlorine ChEBI chebi_ontology monoatomic halogens CHEBI:33433 monoatomic halogen monoatomic halogens ChEBI elemental halogen chebi_ontology elemental halogens CHEBI:33434 elemental halogen elemental halogen ChEBI elemental halogens ChEBI chlorine oxoanion chebi_ontology chlorine oxoanions CHEBI:33437 chlorine oxoanion chlorine oxoanion ChEBI chlorine oxoanions ChEBI halogen oxoanion chebi_ontology halogen oxoanions CHEBI:33443 halogen oxoanion halogen oxoanion ChEBI halogen oxoanions ChEBI bromine oxoanion chebi_ontology bromine oxoanions CHEBI:33444 bromine oxoanion bromine oxoanion ChEBI bromine oxoanions ChEBI Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid. CHEBI:15132 CHEBI:25406 CHEBI:26086 CHEBI:9320 KEGG:C00934 PMID:18186488 phospho sugar chebi_ontology monosaccharide phosphates phospho sugars phosphorylated sugar phosphorylated sugars phosphosugar phosphosugars CHEBI:33447 phospho sugar PMID:18186488 Europe PMC phospho sugar ChEBI monosaccharide phosphates ChEBI phospho sugars ChEBI phosphorylated sugar ChEBI phosphorylated sugars ChEBI phosphosugar ChEBI phosphosugars ChEBI Arylmethyl groups and derivatives formed by substitution: ArCR2-. benzylic group benzylic groups chebi_ontology benzylic groups groupe benzylique CHEBI:33452 benzylic group benzylic group IUPAC benzylic groups IUPAC benzylic groups ChEBI groupe benzylique IUPAC chebi_ontology nitrogen oxoacids oxoacids of nitrogen CHEBI:33455 nitrogen oxoacid nitrogen oxoacids ChEBI oxoacids of nitrogen ChEBI A univalent group containing carbon which has its free valence at an atom other than carbon. organoheteryl group organoheteryl groups chebi_ontology groupe organoheteryle grupo organoheterilo grupos organoheterilo organoelement group CHEBI:33456 organoheteryl group organoheteryl group IUPAC organoheteryl groups IUPAC groupe organoheteryle IUPAC grupo organoheterilo IUPAC grupos organoheterilo IUPAC organoelement group IUPAC A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons. phosphorus oxoacid chebi_ontology Oxosaeure des Phosphors oxoacids of phosphorus phosphorus oxoacids CHEBI:33457 phosphorus oxoacid phosphorus oxoacid ChEBI Oxosaeure des Phosphors ChEBI oxoacids of phosphorus ChEBI phosphorus oxoacids ChEBI nitrogen oxoanion chebi_ontology nitrogen oxoanions oxoanions of nitrogen CHEBI:33458 nitrogen oxoanion nitrogen oxoanion ChEBI nitrogen oxoanions ChEBI oxoanions of nitrogen ChEBI pnictogen oxoanion chebi_ontology pnictogen oxoanions CHEBI:33459 pnictogen oxoanion pnictogen oxoanion ChEBI pnictogen oxoanions ChEBI phosphorus oxoanion chebi_ontology oxoanions of phosphorus phosphorus oxoanions CHEBI:33461 phosphorus oxoanion phosphorus oxoanion ChEBI oxoanions of phosphorus ChEBI phosphorus oxoanions ChEBI A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid. -1 H2O3P InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1 ABLZXFCXXLZCGV-UHFFFAOYSA-M 80.987 80.97470 [H]P([O-])(O[H])=O PDBeChem:78T hydridohydroxidodioxidophosphate(1-) hydrogen phosphonate chebi_ontology [PHO2(OH)](-) hydrogenphosphonate CHEBI:33462 phosphonate(1-) hydridohydroxidodioxidophosphate(1-) IUPAC hydrogen phosphonate IUPAC [PHO2(OH)](-) IUPAC hydrogenphosphonate IUPAC elemental pnictogen chebi_ontology elemental pnictogens CHEBI:33465 elemental pnictogen elemental pnictogen ChEBI elemental pnictogens ChEBI A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension. 0 C24H20N6O3 InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) HTQMVQVXFRQIKW-UHFFFAOYSA-N 440.45424 440.15969 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Beilstein:6377719 CAS:139481-59-7 DrugBank:DB00796 HMDB:HMDB0014934 KEGG:C07468 KEGG:D00522 LINCS:LSM-5903 PMID:23713902 PMID:24464858 Patent:EP459136 Patent:US5196444 Reaxys:6377719 Wikipedia:Candesartan 2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid chebi_ontology 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid Blopress CV-11974 CHEBI:3347 candesartan Beilstein:6377719 Beilstein CAS:139481-59-7 ChemIDplus CAS:139481-59-7 KEGG COMPOUND PMID:23713902 Europe PMC PMID:24464858 Europe PMC Reaxys:6377719 Reaxys 2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid IUPAC 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid ChemIDplus 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid IUPAC 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid IUPHAR Blopress KEGG_DRUG CV-11974 ChemIDplus sulfur oxoanion chebi_ontology oxoanions of sulfur sulfur oxoanions CHEBI:33482 sulfur oxoanion sulfur oxoanion ChEBI oxoanions of sulfur ChEBI sulfur oxoanions ChEBI chalcogen oxoacid chebi_ontology chalcogen oxoacids CHEBI:33484 chalcogen oxoacid chalcogen oxoacid ChEBI chalcogen oxoacids ChEBI chalcogen oxoanion chebi_ontology chalcogen oxoanions CHEBI:33485 chalcogen oxoanion chalcogen oxoanion ChEBI chalcogen oxoanions ChEBI A molecular entity containing one or more atoms of a transition element. chebi_ontology transition element molecular entities transition metal molecular entity CHEBI:33497 transition element molecular entity transition element molecular entities ChEBI transition metal molecular entity ChEBI chebi_ontology actinoid compounds actinoid molecular entities CHEBI:33498 actinoid molecular entity actinoid compounds ChEBI actinoid molecular entities ChEBI uranium molecular entity chebi_ontology alkali metal cations CHEBI:33504 alkali metal cation alkali metal cations ChEBI chebi_ontology alkaline earth cations alkaline earth metal cation alkaline-earth metal cations CHEBI:33513 alkaline earth cation alkaline earth cations ChEBI alkaline earth metal cation ChEBI alkaline-earth metal cations ChEBI chebi_ontology transition element cations transition metal cation CHEBI:33515 transition element cation transition element cations ChEBI transition metal cation ChEBI An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity. CHEBI:25217 CHEBI:6788 KEGG:C00050 PMID:21784043 Wikipedia:Metal chebi_ontology elemental metal elemental metals metal element metal elements metals CHEBI:33521 metal atom PMID:21784043 Europe PMC elemental metal ChEBI elemental metals ChEBI metal element ChEBI metal elements ChEBI metals ChEBI sulfur hydride chebi_ontology hydrides of sulfur sulfur hydrides sulphur hydrides CHEBI:33535 sulfur hydride sulfur hydride ChEBI hydrides of sulfur ChEBI sulfur hydrides ChEBI sulphur hydrides ChEBI The sulfur oxoanion formed by deprotonation of sulfonic acid. -1 HO3S InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1 BDHFUVZGWQCTTF-UHFFFAOYSA-M 81.07214 80.96519 [H]S([O-])(=O)=O Gmelin:971569 hydridotrioxidosulfate(1-) chebi_ontology SHO3(-) [SHO3](-) sulfonates CHEBI:33543 sulfonate Gmelin:971569 Gmelin hydridotrioxidosulfate(1-) IUPAC SHO3(-) IUPAC [SHO3](-) IUPAC sulfonates ChEBI An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon. 0 HO3SR 81.07100 80.96464 OS([*])(=O)=O chebi_ontology organosulfonic acids sulfonic acids CHEBI:33551 organosulfonic acid organosulfonic acids ChEBI sulfonic acids ChEBI sulfonic acid derivative chebi_ontology derivatives of sulfonic acid sulfonic acid derivatives CHEBI:33552 sulfonic acid derivative sulfonic acid derivative ChEBI derivatives of sulfonic acid ChEBI sulfonic acid derivatives ChEBI An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid. -1 O3SR 80.064 79.95681 *S([O-])(=O)=O chebi_ontology organosulfonate organosulfonate oxoanions organosulfonates CHEBI:33554 organosulfonate oxoanion organosulfonate ChEBI organosulfonate oxoanions ChEBI organosulfonates ChEBI Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an aryl group. chebi_ontology arenesulfonic acids arylsulfonic acid arylsulfonic acids CHEBI:33555 arenesulfonic acid arenesulfonic acids ChEBI arylsulfonic acid ChEBI arylsulfonic acids ChEBI Any arenesulfonic acid that is benzenesulfonic acid substituted by at least one amino group at unspecified position. 0 C6H7NO3S 173.191 173.01466 aminobenzenesulfonic acid chebi_ontology aminobenzenesulfonic acids CHEBI:33557 aminobenzenesulfonic acid aminobenzenesulfonic acid IUPAC aminobenzenesulfonic acids ChEBI An amino-acid anion obtained by deprotonation of any alpha-amino acid. alpha-amino-acid anion chebi_ontology alpha-amino acid anions alpha-amino-acid anions CHEBI:33558 alpha-amino-acid anion alpha-amino-acid anion ChEBI alpha-amino acid anions ChEBI alpha-amino-acid anions ChEBI chebi_ontology s-block element s-block elements CHEBI:33559 s-block element atom s-block element ChEBI s-block elements ChEBI Any main group element atom belonging to the p-block of the periodic table. chebi_ontology p-block element p-block elements CHEBI:33560 p-block element atom p-block element ChEBI p-block elements ChEBI chebi_ontology d-block element d-block elements CHEBI:33561 d-block element atom d-block element ChEBI d-block elements ChEBI chebi_ontology f-block element f-block elements CHEBI:33562 f-block element atom f-block element ChEBI f-block elements ChEBI Any compound containing an o-diphenol component. 0 C6H2O2R4 106.079 106.00548 OC1=C(O)C(*)=C(*)C(*)=C1* CHEBI:134187 CHEBI:13628 CHEBI:18862 KEGG:C15571 chebi_ontology 1,2-benzenediols a catechol benzene-1,2-diols CHEBI:33566 catechols 1,2-benzenediols ChEBI a catechol UniProt benzene-1,2-diols ChEBI 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution. 0 C8H9NO2R2 151.163 151.06333 CHEBI:23056 CHEBI:3468 KEGG:C02012 Catecholamine catecholamines chebi_ontology catecholamines CHEBI:33567 catecholamine Catecholamine KEGG_COMPOUND catecholamines IUPAC catecholamines ChEBI A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. 0 C9H13NO3 InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3 UCTWMZQNUQWSLP-UHFFFAOYSA-N 183.20446 183.08954 CNCC(O)c1ccc(O)c(O)c1 Beilstein:2212160 CAS:329-65-7 Drug_Central:4508 Gmelin:51559 LINCS:LSM-4958 PMID:10052027 PMID:24252294 PMID:24719616 Reaxys:2212160 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol chebi_ontology (+-)-adrenaline (+-)-epinephrine 2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol dl-adrenaline epinephrine racemic racepinefrina racepinefrine racepinefrinum CHEBI:33568 adrenaline Beilstein:2212160 ChemIDplus CAS:329-65-7 ChemIDplus Drug_Central:4508 DrugCentral Gmelin:51559 Gmelin PMID:10052027 Europe PMC PMID:24252294 Europe PMC PMID:24719616 Europe PMC Reaxys:2212160 Reaxys 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol IUPAC (+-)-adrenaline IUPHAR (+-)-epinephrine ChemIDplus 2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol ChemIDplus dl-adrenaline ChemIDplus epinephrine racemic ChemIDplus racepinefrina ChemIDplus racepinefrine ChemIDplus racepinefrinum ChemIDplus A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted. 0 C8H11NO3 InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 SFLSHLFXELFNJZ-UHFFFAOYSA-N 169.17788 169.07389 NCC(O)c1ccc(O)c(O)c1 Beilstein:2210994 CAS:138-65-8 Gmelin:863925 LINCS:LSM-5181 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol chebi_ontology noradrenalina norepinephrine CHEBI:33569 noradrenaline Beilstein:2210994 Beilstein CAS:138-65-8 ChemIDplus CAS:138-65-8 NIST Chemistry WebBook Gmelin:863925 Gmelin 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol IUPAC noradrenalina ChEBI norepinephrine ChEBI CHEBI:22705 CHEBI:22711 chebi_ontology CHEBI:33570 benzenediols Any benzenediol in which the two hydroxy groups are meta to one another. chebi_ontology CHEBI:33572 resorcinols A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid. 0 CHO2R 45.01740 44.99765 OC([*])=O CHEBI:13428 CHEBI:13627 CHEBI:23027 PMID:17147560 PMID:18433345 Wikipedia:Carboxylic_acid carboxylic acid carboxylic acids chebi_ontology Carbonsaeure Carbonsaeuren Karbonsaeure RC(=O)OH acide carboxylique acides carboxyliques acido carboxilico acidos carboxilicos CHEBI:33575 carboxylic acid PMID:17147560 Europe PMC PMID:17147560 Europe PMC PMID:18433345 Europe PMC PMID:18433345 Europe PMC carboxylic acid IUPAC carboxylic acids IUPAC Carbonsaeure ChEBI Carbonsaeuren ChEBI Karbonsaeure ChEBI RC(=O)OH IUPAC acide carboxylique IUPAC acides carboxyliques IUPAC acido carboxilico IUPAC acidos carboxilicos IUPAC Any carboxylic acid having a sulfur substituent. chebi_ontology S-containing carboxylic acid S-containing carboxylic acids sulfur-containing carboxylic acids CHEBI:33576 sulfur-containing carboxylic acid S-containing carboxylic acid ChEBI S-containing carboxylic acids ChEBI sulfur-containing carboxylic acids ChEBI A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. chebi_ontology main group compounds main group molecular entities CHEBI:33579 main group molecular entity main group compounds ChEBI main group molecular entities ChEBI chebi_ontology boron group molecular entities CHEBI:33581 boron group molecular entity boron group molecular entities ChEBI carbon group molecular entity chebi_ontology carbon group molecular entities CHEBI:33582 carbon group molecular entity carbon group molecular entity ChEBI carbon group molecular entities ChEBI A main group molecular entity containing one or more atoms of any noble gas. noble gas molecular entity chebi_ontology noble gas compounds noble gas molecular entities CHEBI:33583 noble gas molecular entity noble gas molecular entity ChEBI noble gas compounds ChEBI noble gas molecular entities ChEBI germanium molecular entity chebi_ontology germanium compounds germanium molecular entities CHEBI:33584 germanium molecular entity germanium molecular entity ChEBI germanium compounds ChEBI germanium molecular entities ChEBI lead molecular entity chebi_ontology lead compounds lead molecular entities CHEBI:33585 lead molecular entity lead molecular entity ChEBI lead compounds ChEBI lead molecular entities ChEBI A compound containing at least one carbon-lead bond. chebi_ontology organolead compounds CHEBI:33586 organolead compound organolead compounds ChEBI germanium hydride chebi_ontology germanium hydrides CHEBI:33587 germanium hydride germanium hydride ChEBI germanium hydrides ChEBI boron hydride boron hydrides chebi_ontology boron hydrides CHEBI:33588 boron hydride boron hydride ChEBI boron hydrides IUPAC boron hydrides ChEBI The molecular hydrides of boron. Wikipedia:Borane chebi_ontology CHEBI:33589 boranes 0 B2H6 InChI=1S/B2H6/c1-3-2-4-1/h1-2H2 KLDBIFITUCWVCC-UHFFFAOYSA-N 27.66964 28.06556 [H][B]1([H])[H][B]([H])([H])[H]1 CAS:19287-45-7 Gmelin:1295 diborane(6) chebi_ontology B2H6 diborane diboron hexahydride CHEBI:33590 diborane(6) CAS:19287-45-7 ChemIDplus CAS:19287-45-7 NIST Chemistry WebBook Gmelin:1295 Gmelin diborane(6) IUPAC B2H6 IUPAC diborane ChemIDplus diboron hexahydride NIST_Chemistry_WebBook Any molecule that consists of a series of atoms joined together to form a ring. Wikipedia:Cyclic_compound chebi_ontology cyclic compounds CHEBI:33595 cyclic compound cyclic compounds ChEBI A cyclic compound having as ring members atoms of the same element only. homocyclic compound homocyclic compounds chebi_ontology isocyclic compounds CHEBI:33597 homocyclic compound homocyclic compound IUPAC homocyclic compounds IUPAC isocyclic compounds IUPAC A homocyclic compound in which all of the ring members are carbon atoms. carbocyclic compound carbocyclic compounds chebi_ontology carbocycle CHEBI:33598 carbocyclic compound carbocyclic compound IUPAC carbocyclic compounds IUPAC carbocycle ChEBI A compound having one atom as the only common member of two rings. spiro compound spiro compounds chebi_ontology spiro-fused compounds spirocycle spirocycles spirocyclic compound spirocyclic compounds spirofused compounds CHEBI:33599 spiro compound spiro compound IUPAC spiro compounds IUPAC spiro-fused compounds IUPAC spirocycle ChEBI spirocycles ChEBI spirocyclic compound ChEBI spirocyclic compounds ChEBI spirofused compounds ChEBI chebi_ontology hydrogen compounds hydrogen molecular entities CHEBI:33608 hydrogen molecular entity hydrogen compounds ChEBI hydrogen molecular entities ChEBI CAS:7440-42-8 chebi_ontology boron trona elemental boron CHEBI:33609 elemental boron CAS:7440-42-8 NIST Chemistry WebBook boron NIST_Chemistry_WebBook trona elemental boron NIST_Chemistry_WebBook aluminium molecular entity chebi_ontology aluminium compounds aluminium molecular entities aluminum compounds CHEBI:33620 aluminium molecular entity aluminium molecular entity ChEBI aluminium compounds ChEBI aluminium molecular entities ChEBI aluminum compounds ChEBI aluminium oxides A halophenol that is any phenol containing one or more covalently bonded bromine atoms. chebi_ontology CHEBI:33624 bromophenol A bromophenol that consists of phenol bearing two bromo substituents at unspecified positions. chebi_ontology CHEBI:33625 dibromophenol chebi_ontology elemental aluminum CHEBI:33628 elemental aluminium elemental aluminum ChEBI 0 Al InChI=1S/Al XAGFODPZIPBFFR-UHFFFAOYSA-N 26.98154 26.98154 [Al] CAS:7429-90-5 aluminium(0) chebi_ontology Al(0) Aln aluminum metal CHEBI:33629 aluminium(0) CAS:7429-90-5 NIST Chemistry WebBook aluminium(0) IUPAC Al(0) ChEBI Aln IUPAC aluminum metal NIST_Chemistry_WebBook chebi_ontology polycyclic compounds CHEBI:33635 polycyclic compound polycyclic compounds ChEBI A molecule that features two fused rings. chebi_ontology bicyclic compounds CHEBI:33636 bicyclic compound bicyclic compounds ChEBI A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms. ortho-fused polycyclic compounds chebi_ontology ortho-fused compounds CHEBI:33637 ortho-fused compound ortho-fused polycyclic compounds IUPAC ortho-fused compounds ChEBI A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms. ortho- and peri-fused polycyclic compounds chebi_ontology ortho- and peri-fused compounds CHEBI:33639 ortho- and peri-fused compound ortho- and peri-fused polycyclic compounds IUPAC ortho- and peri-fused compounds ChEBI A polycyclic compound having the shape of a cage. cage compound chebi_ontology polycyclic cages CHEBI:33640 polycyclic cage cage compound IUPAC polycyclic cages ChEBI Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes. olefin olefins chebi_ontology olefins CHEBI:33641 olefin olefin IUPAC olefins IUPAC olefins ChEBI The inclusive term for any cyclic hydrocarbon having any number of double bonds. cyclic olefin cyclic olefins chebi_ontology CHEBI:33642 cyclic olefin cyclic olefin IUPAC cyclic olefins IUPAC An unsaturated monocyclic hydrocarbon having at least one endocyclic double bond. cycloalkene cycloalkenes chebi_ontology CHEBI:33643 cycloalkene cycloalkene IUPAC cycloalkenes IUPAC Acyclic (branched or unbranched) and cyclic (with or without side chain) hydrocarbons having one or more carbon-carbon triple bonds. acetylenes chebi_ontology CHEBI:33644 acetylenes acetylenes IUPAC Acyclic branched or unbranched hydrocarbons having one or more carbon-carbon double bond. chebi_ontology acyclic olefins CHEBI:33645 acyclic olefin acyclic olefins ChEBI Acyclic branched or unbranched hydrocarbons having two carbon-carbon double bonds. alkadiene alkadienes chebi_ontology alkadienes CHEBI:33646 alkadiene alkadiene IUPAC alkadienes IUPAC alkadienes ChEBI Acyclic (branched or unbranched) hydrocarbons having one or more carbon-carbon triple bonds. chebi_ontology acyclic acetylenes CHEBI:33650 acyclic acetylene acyclic acetylenes ChEBI Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds. aliphatic compounds chebi_ontology CHEBI:33653 aliphatic compound aliphatic compounds IUPAC An aliphatic compound having a carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system. alicyclic compounds chebi_ontology CHEBI:33654 alicyclic compound alicyclic compounds IUPAC A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character. aromatic compounds aromatic molecular entity chebi_ontology aromatics aromatische Verbindungen CHEBI:33655 aromatic compound aromatic compounds IUPAC aromatic molecular entity IUPAC aromatics ChEBI aromatische Verbindungen ChEBI Any monocyclic or polycyclic aromatic hydrocarbon. arene arenes chebi_ontology aromatic hydrocarbons CHEBI:33658 arene arene IUPAC arenes IUPAC aromatic hydrocarbons IUPAC chebi_ontology organic aromatic compounds CHEBI:33659 organic aromatic compound organic aromatic compounds ChEBI chebi_ontology monocyclic compounds CHEBI:33661 monocyclic compound monocyclic compounds ChEBI A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms. annulene annulenes chebi_ontology CHEBI:33662 annulene annulene IUPAC annulenes IUPAC cyclic hydrocarbon chebi_ontology cyclic hydrocarbons CHEBI:33663 cyclic hydrocarbon cyclic hydrocarbon ChEBI cyclic hydrocarbons ChEBI monocyclic hydrocarbon monocyclic hydrocarbons chebi_ontology monocyclic hydrocarbons CHEBI:33664 monocyclic hydrocarbon monocyclic hydrocarbon ChEBI monocyclic hydrocarbons IUPAC monocyclic hydrocarbons ChEBI polycyclic hydrocarbon polycyclic hydrocarbons chebi_ontology CHEBI:33666 polycyclic hydrocarbon polycyclic hydrocarbon IUPAC polycyclic hydrocarbons IUPAC heteromonocyclic compound heteromonocyclic compounds chebi_ontology CHEBI:33670 heteromonocyclic compound heteromonocyclic compound IUPAC heteromonocyclic compounds IUPAC A polycyclic compound in which at least one of the rings contains at least one non-carbon atom. heteropolycyclic compounds chebi_ontology polyheterocyclic compounds CHEBI:33671 heteropolycyclic compound heteropolycyclic compounds IUPAC polyheterocyclic compounds ChEBI A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom. heterobicyclic compounds chebi_ontology CHEBI:33672 heterobicyclic compound heterobicyclic compounds IUPAC chebi_ontology zinc group molecular entities CHEBI:33673 zinc group molecular entity zinc group molecular entities ChEBI An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element. s-block molecular entity chebi_ontology s-block compounds s-block molecular entities CHEBI:33674 s-block molecular entity s-block molecular entity ChEBI s-block compounds ChEBI s-block molecular entities ChEBI A main group molecular entity that contains one or more atoms of a p-block element. chebi_ontology p-block compounds p-block molecular entities p-block molecular entitiy CHEBI:33675 p-block molecular entity p-block compounds ChEBI p-block molecular entities ChEBI p-block molecular entitiy ChEBI A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element. d-block molecular entity chebi_ontology d-block compounds d-block molecular entities CHEBI:33676 d-block molecular entity d-block molecular entity ChEBI d-block compounds ChEBI d-block molecular entities ChEBI A molecular entity containing one or more atoms of an f-block element. chebi_ontology f-block compounds f-block molecular entities CHEBI:33677 f-block molecular entity f-block compounds ChEBI f-block molecular entities ChEBI helium molecular entity Hydrides are chemical compounds of hydrogen with other chemical elements. chebi_ontology CHEBI:33692 hydrides oxygen hydride chebi_ontology hydrides of oxygen oxygen hydrides CHEBI:33693 oxygen hydride oxygen hydride ChEBI hydrides of oxygen ChEBI oxygen hydrides ChEBI A macromolecule formed by a living organism. biopolymer chebi_ontology Biopolymere biomacromolecules biopolymers CHEBI:33694 biomacromolecule biopolymer IUPAC Biopolymere ChEBI biomacromolecules ChEBI biopolymers ChEBI chebi_ontology genetically encoded biomacromolecules genetically encoded biopolymers information biomacromolecules information biopolymers information macromolecule information macromolecules CHEBI:33695 information biomacromolecule genetically encoded biomacromolecules ChEBI genetically encoded biopolymers ChEBI information biomacromolecules ChEBI information biopolymers ChEBI information macromolecule ChEBI information macromolecules ChEBI A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid. nucleic acids chebi_ontology NA Nukleinsaeure Nukleinsaeuren acide nucleique acides nucleiques acido nucleico acidos nucleicos CHEBI:33696 nucleic acid nucleic acids IUPAC NA ChEBI Nukleinsaeure ChEBI Nukleinsaeuren ChEBI acide nucleique ChEBI acides nucleiques ChEBI acido nucleico ChEBI acidos nucleicos ChEBI High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins. CAS:63231-63-0 ribonucleic acid ribonucleic acids chebi_ontology RNA RNS Ribonukleinsaeure pentosenucleic acids ribonucleic acids ribose nucleic acid yeast nucleic acid CHEBI:33697 ribonucleic acid CAS:63231-63-0 ChemIDplus ribonucleic acid IUPAC ribonucleic acids IUPAC RNA IUPAC RNA UniProt RNS ChEBI Ribonukleinsaeure ChEBI pentosenucleic acids ChemIDplus ribonucleic acids ChEBI ribose nucleic acid ChEBI yeast nucleic acid ChEBI chebi_ontology canonical amino-acid residue canonical amino-acid residues common amino acid residues proteinogenic amino-acid residues standard amino acid residues standard amino-acid residues CHEBI:33700 proteinogenic amino-acid residue canonical amino-acid residue ChEBI canonical amino-acid residues ChEBI common amino acid residues ChEBI proteinogenic amino-acid residues ChEBI standard amino acid residues ChEBI standard amino-acid residues ChEBI A cation consisting of more than one atom. chebi_ontology polyatomic cations CHEBI:33702 polyatomic cation polyatomic cations ChEBI amino-acid cation chebi_ontology amino acid cation amino-acid cations CHEBI:33703 amino-acid cation amino-acid cation ChEBI amino acid cation ChEBI amino-acid cations ChEBI An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group. 0 C2H4NO2R 74.05870 74.02420 NC([*])C(O)=O CHEBI:10208 CHEBI:13779 CHEBI:22442 CHEBI:2642 KEGG:C00045 KEGG:C05167 alpha-amino acid chebi_ontology Amino acid Amino acids alpha-amino acids alpha-amino carboxylic acids CHEBI:33704 alpha-amino acid alpha-amino acid IUPAC Amino acid KEGG_COMPOUND Amino acids KEGG_COMPOUND alpha-amino acids ChEBI alpha-amino acids JCBN alpha-amino carboxylic acids IUPAC A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group. beta-amino acid chebi_ontology beta-amino acids CHEBI:33706 beta-amino acid beta-amino acid ChEBI beta-amino acids ChEBI A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group. gamma-amino acid chebi_ontology gamma-amino acids CHEBI:33707 gamma-amino acid gamma-amino acid ChEBI gamma-amino acids ChEBI When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue. amino-acid residue chebi_ontology amino acid residue amino-acid residues CHEBI:33708 amino-acid residue amino-acid residue IUPAC amino acid residue ChEBI amino-acid residues JCBN A carboxylic acid containing one or more amino groups. CHEBI:13815 CHEBI:22477 Wikipedia:Amino_acid chebi_ontology Aminocarbonsaeure Aminokarbonsaeure Aminosaeure amino acids CHEBI:33709 amino acid Aminocarbonsaeure ChEBI Aminokarbonsaeure ChEBI Aminosaeure ChEBI amino acids ChEBI chebi_ontology alpha-amino-acid residues CHEBI:33710 alpha-amino-acid residue alpha-amino-acid residues ChEBI alpha-amino-acid cation chebi_ontology alpha-amino acid cations alpha-amino-acid cations CHEBI:33719 alpha-amino-acid cation alpha-amino-acid cation ChEBI alpha-amino acid cations ChEBI alpha-amino-acid cations ChEBI carbohydrate acid chebi_ontology carbohydrate acids CHEBI:33720 carbohydrate acid carbohydrate acid ChEBI carbohydrate acids ChEBI carbohydrate acid anion chebi_ontology carbohydrate acid anions CHEBI:33721 carbohydrate acid anion carbohydrate acid anion ChEBI carbohydrate acid anions ChEBI A cluster is a number of metal centres grouped close together which can have direct metal bonding interactions or interactions through a bridging ligand, but are not necessarily held together by these interactions. cluster polynuclear clusters chebi_ontology cluster compound cluster compounds clusters CHEBI:33731 cluster cluster IUPAC polynuclear clusters IUPAC cluster compound ChEBI cluster compounds ChEBI clusters ChEBI homo-nuclear clusters homonuclear cluster chebi_ontology homonuclear clusters CHEBI:33732 homonuclear cluster homo-nuclear clusters IUPAC homonuclear cluster ChEBI homonuclear clusters ChEBI polyboron hydride polyboron hydrides chebi_ontology polyboron hydrides CHEBI:33734 polyboron hydride polyboron hydride ChEBI polyboron hydrides IUPAC polyboron hydrides ChEBI cluster compounds of boron chebi_ontology polyboron clusters CHEBI:33735 polyboron cluster cluster compounds of boron IUPAC polyboron clusters ChEBI chromium group molecular entity chebi_ontology chromium group molecular entities CHEBI:33741 chromium group molecular entity chromium group molecular entity ChEBI chromium group molecular entities ChEBI tungsten molecular entity chebi_ontology tungsten compounds tungsten molecular entities CHEBI:33742 tungsten molecular entity tungsten molecular entity ChEBI tungsten compounds ChEBI tungsten molecular entities ChEBI manganese group molecular entity chebi_ontology manganese group molecular entities CHEBI:33743 manganese group molecular entity manganese group molecular entity ChEBI manganese group molecular entities ChEBI iron group molecular entity chebi_ontology iron group molecular entities CHEBI:33744 iron group molecular entity iron group molecular entity ChEBI iron group molecular entities ChEBI copper group molecular entity chebi_ontology copper group molecular entities CHEBI:33745 copper group molecular entity copper group molecular entity ChEBI copper group molecular entities ChEBI vanadium group molecular entity chebi_ontology vanadium group molecular entities CHEBI:33746 vanadium group molecular entity vanadium group molecular entity ChEBI vanadium group molecular entities ChEBI nickel group molecular entity chebi_ontology nickel group molecular entities CHEBI:33747 nickel group molecular entity nickel group molecular entity ChEBI nickel group molecular entities ChEBI nickel molecular entity chebi_ontology nickel compounds nickel molecular entities CHEBI:33748 nickel molecular entity nickel molecular entity ChEBI nickel compounds ChEBI nickel molecular entities ChEBI platinum molecular entity chebi_ontology platinum compounds platinum molecular entities CHEBI:33749 platinum molecular entity platinum molecular entity ChEBI platinum compounds ChEBI platinum molecular entities ChEBI cobalt group molecular entity chebi_ontology cobalt group molecular entities CHEBI:33767 cobalt group molecular entity cobalt group molecular entity ChEBI cobalt group molecular entities ChEBI titanium group molecular entity chebi_ontology titanium group molecular entities CHEBI:33768 titanium group molecular entity titanium group molecular entity ChEBI titanium group molecular entities ChEBI chebi_ontology beryllium compounds beryllium molecular entities CHEBI:33780 beryllium molecular entity beryllium compounds ChEBI beryllium molecular entities ChEBI chebi_ontology canonical nucleoside residues common nucleoside residues nucleoside residue standard nucleoside residues CHEBI:33791 canonical nucleoside residue canonical nucleoside residues ChEBI common nucleoside residues CBN nucleoside residue CBN standard nucleoside residues ChEBI chebi_ontology N Nuc canonical ribonucleoside residues common ribonucleoside residue common ribonucleoside residues standard ribonucleoside residues CHEBI:33792 canonical ribonucleoside residue N CBN Nuc CBN canonical ribonucleoside residues ChEBI common ribonucleoside residue CBN common ribonucleoside residues CBN standard ribonucleoside residues ChEBI chebi_ontology canonical deoxyribonucleoside residues common 2'-deoxyribonucleoside residue common 2'-deoxyribonucleoside residues dN dNuc standard deoxyribonucleoside residues CHEBI:33793 canonical deoxyribonucleoside residue canonical deoxyribonucleoside residues ChEBI common 2'-deoxyribonucleoside residue CBN common 2'-deoxyribonucleoside residues CBN dN CBN dNuc CBN standard deoxyribonucleoside residues ChEBI A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. 0 C9H15NO3S InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 FAKRSMQSSFJEIM-RQJHMYQMSA-N 217.28500 217.07726 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Beilstein:477887 CAS:62571-86-2 DrugBank:DB01197 Drug_Central:484 KEGG:D00251 LINCS:LSM-5648 PMID:23137627 PMID:23161035 PMID:23278692 PMID:23299024 PMID:23328620 PMID:23397376 PMID:23410042 PMID:23422724 PMID:23429803 PMID:23435971 PMID:2420897 Patent:US4046889 Patent:US4105776 Wikipedia:Captopril 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline chebi_ontology (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Acepress Apopril CP Capoten Captolane Captopryl Captoril Cesplon D-2-methyl-3-mercaptopropanoyl-L-proline D-3-mercapto-2-methylpropanoyl-L-proline Dilabar Garranil Hypertil L-Captopril Lopirin Tenosbon Tensobon Tensoprel captopril captoprilum CHEBI:3380 captopril Beilstein:477887 Beilstein CAS:62571-86-2 ChemIDplus CAS:62571-86-2 KEGG DRUG CAS:62571-86-2 NIST Chemistry WebBook Drug_Central:484 DrugCentral PMID:23137627 Europe PMC PMID:23161035 Europe PMC PMID:23278692 Europe PMC PMID:23299024 Europe PMC PMID:23328620 Europe PMC PMID:23397376 Europe PMC PMID:23410042 Europe PMC PMID:23422724 Europe PMC PMID:23429803 Europe PMC PMID:23435971 Europe PMC PMID:2420897 Europe PMC 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline IUPAC (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid ChEBI Acepress DrugBank Apopril DrugBank CP ChEBI Capoten DrugBank Captolane DrugBank Captopryl DrugBank Captoril DrugBank Cesplon DrugBank D-2-methyl-3-mercaptopropanoyl-L-proline ChemIDplus D-3-mercapto-2-methylpropanoyl-L-proline ChemIDplus Dilabar DrugBank Garranil DrugBank Hypertil DrugBank L-Captopril DrugBank Lopirin DrugBank Tenosbon DrugBank Tensobon DrugBank Tensoprel DrugBank captopril ChemIDplus captoprilum ChemIDplus An organic compound having at least one hydroxy group attached to a carbon atom. CHEBI:64710 hydroxy compounds chebi_ontology organic alcohol organic hydroxy compounds CHEBI:33822 organic hydroxy compound hydroxy compounds IUPAC organic alcohol ChEBI organic hydroxy compounds ChEBI Alkenols; the term refers specifically to vinylic alcohols, which have the structure HOCR'=CR2. Enols are tautomeric with aldehydes (R' = H) or ketones (R' =/= H). 0 C2HOR3 41.029 41.00274 OC(=C(*)*)* enol enols chebi_ontology alkenols enols CHEBI:33823 enol enol IUPAC enols IUPAC alkenols IUPAC enols ChEBI Any organic molecule that consists of atoms connected in the form of a ring. chebi_ontology organic cyclic compounds CHEBI:33832 organic cyclic compound organic cyclic compounds ChEBI A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2). heteroarenes chebi_ontology hetarenes CHEBI:33833 heteroarene heteroarenes IUPAC hetarenes IUPAC chebi_ontology benzenoid aromatic compounds benzenoid compound CHEBI:33836 benzenoid aromatic compound benzenoid aromatic compounds ChEBI benzenoid compound ChEBI Conjugated protein is a protein that contains a non-peptide component, usually in stoichiometric proportion. COMe:PRX000001 conjugated proteins chebi_ontology complex protein CHEBI:33837 conjugated protein conjugated proteins IUPAC complex protein COMe An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents. 0 C5H8O3R2 116.115 116.04734 [C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO CHEBI:13661 CHEBI:25611 CHEBI:7647 KEGG:C00801 Wikipedia:Nucleoside Nucleoside nucleosides chebi_ontology a nucleoside nucleosides CHEBI:33838 nucleoside Nucleoside KEGG_COMPOUND nucleosides IUPAC a nucleoside UniProt nucleosides ChEBI A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. Wikipedia:Macromolecule macromolecule chebi_ontology macromolecules polymer polymer molecule polymers CHEBI:33839 macromolecule macromolecule IUPAC macromolecules ChEBI polymer ChEBI polymer molecule IUPAC polymers ChEBI chebi_ontology aromatic annulenes CHEBI:33842 aromatic annulene aromatic annulenes ChEBI A monocyclic aromatic hydrocarbon. chebi_ontology monocyclic arenes CHEBI:33847 monocyclic arene monocyclic arenes ChEBI A polycyclic aromatic hydrocarbon. PMID:15198916 PMID:25679824 Wikipedia:Polycyclic_aromatic_hydrocarbon chebi_ontology PAH PAHs polycyclic arenes polycyclic aromatic hydrocarbons CHEBI:33848 polycyclic arene PMID:15198916 Europe PMC PMID:25679824 Europe PMC PAH ChEBI PAHs ChEBI polycyclic arenes ChEBI polycyclic aromatic hydrocarbons ChEBI Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. 0 C6HOR5 89.072 89.00274 C1(=C(C(=C(C(=C1*)*)*)*)*)O CHEBI:13664 CHEBI:13825 CHEBI:25969 CHEBI:2857 KEGG:C15584 MetaCyc:Phenols Wikipedia:Phenols phenols chebi_ontology Aryl alcohol a phenol arenols CHEBI:33853 phenols phenols IUPAC Aryl alcohol KEGG_COMPOUND a phenol UniProt arenols IUPAC An amino acid whose structure includes an aromatic ring. 0 C2H4NO2R 88.085 74.02420 CHEBI:13820 CHEBI:22623 CHEBI:2835 KEGG:C01021 Wikipedia:Aromatic_amino_acid Aromatic amino acid chebi_ontology aromatic amino acids CHEBI:33856 aromatic amino acid Aromatic amino acid KEGG_COMPOUND aromatic amino acids ChEBI Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. CHEBI:13817 CHEBI:13821 CHEBI:2830 chebi_ontology aromatic carboxylic acids CHEBI:33859 aromatic carboxylic acid aromatic carboxylic acids ChEBI An amino compound in which the amino group is linked directly to an aromatic system. CHEBI:13827 CHEBI:22622 CHEBI:22646 CHEBI:2834 CHEBI:2863 chebi_ontology aromatic amines aryl amine aryl amines arylamine arylamines CHEBI:33860 aromatic amine aromatic amines ChEBI aryl amine ChEBI aryl amines ChEBI arylamine ChEBI arylamines ChEBI chebi_ontology transition element coordination entities transition metal coordination compounds transition metal coordination entities CHEBI:33861 transition element coordination entity transition element coordination entities ChEBI transition metal coordination compounds ChEBI transition metal coordination entities ChEBI platinum coordination entity chebi_ontology platinum coordination compounds platinum coordination entities CHEBI:33862 platinum coordination entity platinum coordination entity ChEBI platinum coordination compounds ChEBI platinum coordination entities ChEBI A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. 0 C15H12N2O InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N 236.26860 236.09496 NC(=O)N1c2ccccc2C=Cc2ccccc12 CHEBI:115086 Beilstein:1246090 CAS:298-46-4 DrugBank:DB00564 Drug_Central:489 HMDB:HMDB0014704 KEGG:C06868 KEGG:D00252 LINCS:LSM-3610 PMID:10411478 PMID:11071486 PMID:11129121 PMID:11240598 PMID:11475584 PMID:11595204 PMID:11888243 PMID:11891095 PMID:12073283 PMID:12228880 PMID:12475188 PMID:12749779 PMID:12799799 PMID:12957643 PMID:14160216 PMID:14572037 PMID:14581052 PMID:14713026 PMID:14723323 PMID:15165631 PMID:15557493 PMID:15665743 PMID:15683742 PMID:15739418 PMID:15820347 PMID:15850602 PMID:16033627 PMID:16150575 PMID:16245817 PMID:16380297 PMID:16394456 PMID:16437428 PMID:16538175 PMID:16562645 PMID:16616830 PMID:16990009 PMID:17027750 PMID:17028629 PMID:17207414 PMID:17582711 PMID:17873967 PMID:17949959 PMID:18163657 PMID:18415623 PMID:18637155 PMID:18652684 PMID:18656520 PMID:18969759 PMID:19135617 PMID:19473818 PMID:19741433 PMID:19921623 PMID:22322005 PMID:27967303 PMID:7602118 Patent:US2004220187 Patent:US2007167446 Patent:US2011177136 Patent:US2011245283 Patent:US2948718 Reaxys:1246090 Wikipedia:Carbamazepine 5H-dibenzo[b,f]azepine-5-carboxamide chebi_ontology 5-Carbamoyl-5H-dibenz(b,f)azepine 5-Carbamoyl-5H-dibenzo(b,f)azepine 5-Carbamyl-5H-dibenzo(b,f)azepine 5-carbamoyl-5H-dibenz[b,f]azepine 5H-Dibenz(b,f)azepine-5-carboxamide Carbamazepen Carnexiv carbamazepina carbamazepine carbamazepinum CHEBI:3387 carbamazepine Beilstein:1246090 Beilstein CAS:298-46-4 ChemIDplus CAS:298-46-4 KEGG COMPOUND CAS:298-46-4 NIST Chemistry WebBook Drug_Central:489 DrugCentral PMID:10411478 ChEMBL PMID:11071486 Europe PMC PMID:11129121 Europe PMC PMID:11240598 Europe PMC PMID:11475584 Europe PMC PMID:11595204 Europe PMC PMID:11888243 Europe PMC PMID:11891095 Europe PMC PMID:12073283 Europe PMC PMID:12228880 Europe PMC PMID:12475188 Europe PMC PMID:12749779 Europe PMC PMID:12799799 Europe PMC PMID:12957643 Europe PMC PMID:14160216 Europe PMC PMID:14572037 Europe PMC PMID:14581052 Europe PMC PMID:14713026 Europe PMC PMID:14723323 Europe PMC PMID:15165631 Europe PMC PMID:15557493 Europe PMC PMID:15665743 Europe PMC PMID:15683742 Europe PMC PMID:15739418 Europe PMC PMID:15820347 Europe PMC PMID:15850602 Europe PMC PMID:16033627 Europe PMC PMID:16150575 Europe PMC PMID:16245817 Europe PMC PMID:16380297 Europe PMC PMID:16394456 Europe PMC PMID:16437428 Europe PMC PMID:16538175 Europe PMC PMID:16562645 Europe PMC PMID:16616830 Europe PMC PMID:16990009 Europe PMC PMID:17027750 Europe PMC PMID:17028629 Europe PMC PMID:17207414 Europe PMC PMID:17582711 Europe PMC PMID:17873967 Europe PMC PMID:17949959 Europe PMC PMID:18163657 Europe PMC PMID:18415623 Europe PMC PMID:18637155 Europe PMC PMID:18652684 Europe PMC PMID:18656520 Europe PMC PMID:18969759 Europe PMC PMID:19135617 Europe PMC PMID:19473818 Europe PMC PMID:19741433 Europe PMC PMID:19921623 Europe PMC PMID:22322005 Europe PMC PMID:27967303 Europe PMC PMID:7602118 Europe PMC Reaxys:1246090 Reaxys 5H-dibenzo[b,f]azepine-5-carboxamide IUPAC 5-Carbamoyl-5H-dibenz(b,f)azepine ChemIDplus 5-Carbamoyl-5H-dibenzo(b,f)azepine ChemIDplus 5-Carbamyl-5H-dibenzo(b,f)azepine ChemIDplus 5-carbamoyl-5H-dibenz[b,f]azepine NIST_Chemistry_WebBook 5H-Dibenz(b,f)azepine-5-carboxamide ChemIDplus Carbamazepen ChemIDplus Carnexiv ChemIDplus carbamazepina ChemIDplus carbamazepine ChemIDplus carbamazepinum ChemIDplus cobalt molecular entity chebi_ontology cobalt compounds cobalt molecular entities CHEBI:33888 cobalt molecular entity cobalt molecular entity ChEBI cobalt compounds ChEBI cobalt molecular entities ChEBI cobalt coordination entity chebi_ontology cobalt coordination compounds cobalt coordination entities CHEBI:33890 cobalt coordination entity cobalt coordination entity ChEBI cobalt coordination compounds ChEBI cobalt coordination entities ChEBI iron coordination entity chebi_ontology iron coordination compounds iron coordination entities CHEBI:33892 iron coordination entity iron coordination entity ChEBI iron coordination compounds ChEBI iron coordination entities ChEBI A substance used in a chemical reaction to detect, measure, examine, or produce other substances. reagent chebi_ontology reactif reactivo reagents CHEBI:33893 reagent reagent IUPAC reactif IUPAC reactivo IUPAC reagents ChEBI A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid. 0 C12H11NO2 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N 201.22128 201.07898 CNC(=O)Oc1cccc2ccccc12 CAS:63-25-2 Drug_Central:3066 KEGG:C07491 KEGG:D07613 LINCS:LSM-37123 PMID:15092421 PMID:15092693 PMID:19025094 PPDB:115 Reaxys:1875862 Wikipedia:Carbaryl Carbaryl carbaryl naphthalen-1-yl methylcarbamate chebi_ontology 1-Naphthalenol, methylcarbamate 1-Naphthalenyl methylcarbamate 1-Naphthyl N-methylcarbamate 1-naphthol N-methylcarbamate Carbaril N-Methyl-1-naphthyl carbamate N-Methyl-alpha-naphthylurethan Sevin alpha-Naphthyl N-methylcarbamate CHEBI:3390 carbaryl CAS:63-25-2 ChemIDplus CAS:63-25-2 KEGG COMPOUND CAS:63-25-2 NIST Chemistry WebBook Drug_Central:3066 DrugCentral PMID:15092421 Europe PMC PMID:15092693 Europe PMC PMID:19025094 Europe PMC Reaxys:1875862 Reaxys Carbaryl KEGG_COMPOUND carbaryl UniProt naphthalen-1-yl methylcarbamate IUPAC 1-Naphthalenol, methylcarbamate ChemIDplus 1-Naphthalenyl methylcarbamate ChemIDplus 1-Naphthyl N-methylcarbamate ChEBI 1-naphthol N-methylcarbamate ChEBI Carbaril KEGG_COMPOUND N-Methyl-1-naphthyl carbamate ChemIDplus N-Methyl-alpha-naphthylurethan ChemIDplus Sevin ChemIDplus alpha-Naphthyl N-methylcarbamate ChEBI A substance used to destroy pests of the phylum Mollusca. Wikipedia:Molluscicide chebi_ontology molluscicides CHEBI:33904 molluscicide molluscicides ChEBI chebi_ontology cobalt corrinoids cobalt-corrinoids CHEBI:33906 cobalt corrinoid cobalt corrinoids ChEBI cobalt-corrinoids ChEBI chebi_ontology metal-tetrapyrrole metal-tetrapyrrole complex metallotetrapyrroles CHEBI:33909 metallotetrapyrrole metal-tetrapyrrole ChEBI metal-tetrapyrrole complex ChEBI metallotetrapyrroles ChEBI A derivative of the corrin nucleus, which contains four reduced or partly reduced pyrrole rings joined in a macrocycle by three =C- groups and one direct carbon-carbon bond linking alpha positions. 0 C19HN4R21 285.239 285.02012 CHEBI:23391 CHEBI:3890 KEGG:C06021 Corrinoid corrinoid corrinoids chebi_ontology Corrinoid protein Corrinoid protein Co+ Korrinoid corrinoide corrinoides CHEBI:33913 corrinoid Corrinoid KEGG_COMPOUND corrinoid UniProt corrinoids IUPAC Corrinoid protein KEGG_COMPOUND Corrinoid protein Co+ KEGG_COMPOUND Korrinoid ChEBI corrinoide IUPAC corrinoides IUPAC A pentose with a (potential) aldehyde group at one end. PMID:10723607 aldopentose chebi_ontology aldopentoses CHEBI:33916 aldopentose PMID:10723607 Europe PMC aldopentose ChEBI aldopentoses ChEBI A hexose with a (potential) aldehyde group at one end. CHEBI:2558 aldohexose chebi_ontology aldohexoses CHEBI:33917 aldohexose aldohexose ChEBI aldohexoses ChEBI A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. 0 C9H9N3O2 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N 191.18670 191.06948 COC(=O)Nc1nc2ccccc2[nH]1 CAS:10605-21-7 HMDB:HMDB0031769 KEGG:C10897 PMID:20833408 PMID:21315898 PMID:22077925 PMID:22903170 PPDB:116 Patent:US3010968 Pesticides:carbendazim Reaxys:649044 Wikipedia:Carbendazim Carbendazim methyl 1H-benzimidazol-2-ylcarbamate chebi_ontology 1H-benzimidazol-2-ylcarbamic acid methyl ester 2-(Methoxy-carbonylamino)-benzimidazol 2-(methoxycarbonylamino)-benzimidazole 2-(methoxycarbonylamino)benzimidazole 2-benzimidazolecarbamic acid methyl ester BMC MBC Mecarzole carbendazime methyl 2-benzimidazolecarbamate methyl benzimidazol-2-ylcarbamate CHEBI:3392 carbendazim CAS:10605-21-7 ChemIDplus CAS:10605-21-7 KEGG COMPOUND PMID:20833408 Europe PMC PMID:21315898 Europe PMC PMID:22077925 Europe PMC PMID:22903170 Europe PMC Pesticides:carbendazim Alan Wood's Pesticides Reaxys:649044 Reaxys Carbendazim KEGG_COMPOUND methyl 1H-benzimidazol-2-ylcarbamate IUPAC 1H-benzimidazol-2-ylcarbamic acid methyl ester ChEBI 2-(Methoxy-carbonylamino)-benzimidazol ChemIDplus 2-(methoxycarbonylamino)-benzimidazole ChemIDplus 2-(methoxycarbonylamino)benzimidazole ChEBI 2-benzimidazolecarbamic acid methyl ester ChEBI BMC ChEBI MBC ChEBI Mecarzole KEGG_COMPOUND carbendazime ChemIDplus methyl 2-benzimidazolecarbamate ChemIDplus methyl benzimidazol-2-ylcarbamate ChemIDplus Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals. chebi_ontology macronutrients CHEBI:33937 macronutrient macronutrients ChEBI A carbamate ester obtained by the formal condensation of phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide. 0 C12H16N2O3 InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1 AMRQXHFXNZFDCH-VIFPVBQESA-N 236.26700 236.11609 CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1 AGR:IND23225565 CAS:16118-49-3 KEGG:C11075 PMID:20183088 PMID:5016617 Pesticides:carbetamide Reaxys:2983326 (2S)-1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate chebi_ontology CHEBI:3394 carbetamide AGR:IND23225565 Europe PMC CAS:16118-49-3 ChemIDplus CAS:16118-49-3 KEGG COMPOUND CAS:16118-49-3 NIST Chemistry WebBook PMID:20183088 Europe PMC PMID:5016617 Europe PMC Pesticides:carbetamide Alan Wood's Pesticides Reaxys:2983326 Reaxys (2S)-1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate IUPAC Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature. 0 C5H10O5 150.130 150.05282 CHEBI:26564 ribo-pentose ribose chebi_ontology Rib CHEBI:33942 ribose ribo-pentose IUPAC ribose IUPAC Rib JCBN chebi_ontology halide salts halides CHEBI:33958 halide salt halide salts ChEBI halides ChEBI Organometallic coordination compounds in which one atom of a transition metal such as iron, ruthenium or osmium is bonded to and only to the face of two cyclopentadienyl [eta(5)-(C5H5)] ligands which lie in parallel planes. The term should not be used for analogues having rings other than cyclopentadienyl as ligands. metallocene metallocenes chebi_ontology Metallocen metallocenes metaloceno metalocenos CHEBI:33963 metallocene metallocene IUPAC metallocene IUPAC metallocenes IUPAC Metallocen ChEBI metallocenes ChEBI metaloceno IUPAC metalocenos IUPAC silver molecular entity chebi_ontology silver compounds silver molecular entities CHEBI:33964 silver molecular entity silver molecular entity ChEBI silver compounds ChEBI silver molecular entities ChEBI silver http://langual.org Codex::174 Europe::174 http://www.langual.org/langual_thesaurus.asp?termid=B3238 chebi_ontology CHEBI:33966 LanguaL term definition: Food additive; technological purpose(s): colour. elemental silver gold http://langual.org Codex::175 Europe::175 http://www.langual.org/langual_thesaurus.asp?termid=B3111 gold molecular entity chebi_ontology gold compounds gold molecular entities gold, metallic CHEBI:33969 LanguaL term definition: Food additive; technological purpose(s): colour. gold molecular entity gold molecular entity ChEBI gold compounds ChEBI gold molecular entities ChEBI chebi_ontology CHEBI:33970 elemental gold chebi_ontology CHEBI:33973 elemental magnesium chebi_ontology metallic bases CHEBI:33977 metallic base metallic bases ChEBI chebi_ontology alkali metal base alkali metal bases alkali metal hydroxides CHEBI:33978 alkali metal hydroxide alkali metal base ChEBI alkali metal bases ChEBI alkali metal hydroxides ChEBI 0 CsHO InChI=1S/Cs.H2O/h;1H2/q+1;/p-1 HUCVOHYBFXVBRW-UHFFFAOYSA-M 149.91279 149.90819 [OH-].[Cs+] CAS:21351-79-1 Gmelin:100572 caesium hydroxide chebi_ontology CsOH cesium hydrate cesium hydroxide CHEBI:33988 caesium hydroxide CAS:21351-79-1 ChemIDplus CAS:21351-79-1 NIST Chemistry WebBook Gmelin:100572 Gmelin caesium hydroxide IUPAC CsOH IUPAC cesium hydrate NIST_Chemistry_WebBook cesium hydroxide NIST_Chemistry_WebBook chebi_ontology alkaline earth base alkaline earth bases alkaline earth hydroxides alkaline-earth bases alkaline-earth hydroxides CHEBI:33989 alkaline earth hydroxide alkaline earth base ChEBI alkaline earth bases ChEBI alkaline earth hydroxides ChEBI alkaline-earth bases ChEBI alkaline-earth hydroxides ChEBI 0 C2H2Cl4 InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2 QVLAWKAXOMEXPM-UHFFFAOYSA-N 167.84808 165.89106 ClCC(Cl)(Cl)Cl Beilstein:1733216 CAS:630-20-6 Gmelin:404970 KEGG:C14705 PPDB:1633 1,1,1,2-Tetrachloroethane 1,1,1,2-tetrachloroethane chebi_ontology 1,1,1,2-Tetrachloraethan 1,1,1,2-tetrachlorethane CHEBI:34024 1,1,1,2-tetrachloroethane Beilstein:1733216 ChemIDplus CAS:630-20-6 ChemIDplus CAS:630-20-6 KEGG COMPOUND CAS:630-20-6 NIST Chemistry WebBook Gmelin:404970 Gmelin 1,1,1,2-Tetrachloroethane KEGG_COMPOUND 1,1,1,2-tetrachloroethane IUPAC 1,1,1,2-Tetrachloraethan ChEBI 1,1,1,2-tetrachlorethane ChemIDplus A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. 0 C2H2Cl2 InChI=1S/C2H2Cl2/c1-2(3)4/h1H2 LGXVIGDEPROXKC-UHFFFAOYSA-N 96.94268 95.95336 ClC(Cl)=C Beilstein:1733365 CAS:75-35-4 Gmelin:100784 KEGG:C14039 PMID:12778208 PMID:16807210 PMID:3510861 PMID:470972 Reaxys:1733365 Wikipedia:1,1-Dichloroethene 1,1-dichloroethene chebi_ontology 1,1-DCE 1,1-Dichloroethylene Vinylidene chloride vinylidene dichloride CHEBI:34031 1,1-dichloroethene Beilstein:1733365 Beilstein CAS:75-35-4 ChemIDplus CAS:75-35-4 KEGG COMPOUND CAS:75-35-4 NIST Chemistry WebBook Gmelin:100784 Gmelin PMID:12778208 Europe PMC PMID:16807210 Europe PMC PMID:3510861 Europe PMC PMID:470972 Europe PMC Reaxys:1733365 Reaxys 1,1-dichloroethene IUPAC 1,1-dichloroethene UniProt 1,1-DCE KEGG_COMPOUND 1,1-Dichloroethylene KEGG_COMPOUND Vinylidene chloride KEGG_COMPOUND vinylidene dichloride ChemIDplus 0 C3H5Cl3 InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 CFXQEHVMCRXUSD-UHFFFAOYSA-N 147.431 145.94568 ClCC(Cl)CCl CAS:96-18-4 KEGG:C14400 PPDB:1635 1,2,3-Trichloropropane chebi_ontology CHEBI:34036 1,2,3-Trichloropropane CAS:96-18-4 KEGG COMPOUND 1,2,3-Trichloropropane KEGG_COMPOUND A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. 0 C9H12 InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 FYGHSUNMUKGBRK-UHFFFAOYSA-N 120.19158 120.09390 Cc1cccc(C)c1C Beilstein:1903410 CAS:526-73-8 Gmelin:326517 HMDB:HMDB0059901 KEGG:C14518 PMID:10028199 PMID:11109746 PMID:1129786 PMID:22349896 PMID:23365607 PMID:9117193 Reaxys:1903410 Wikipedia:1,2,3-Trimethylbenzene 1,2,3-Trimethylbenzene 1,2,3-trimethylbenzene chebi_ontology Hemimellitene hemellitol hemimellitol CHEBI:34037 1,2,3-trimethylbenzene Beilstein:1903410 ChemIDplus CAS:526-73-8 KEGG COMPOUND CAS:526-73-8 NIST Chemistry WebBook Gmelin:326517 Gmelin PMID:10028199 Europe PMC PMID:11109746 Europe PMC PMID:1129786 Europe PMC PMID:22349896 Europe PMC PMID:23365607 Europe PMC PMID:9117193 Europe PMC Reaxys:1903410 Reaxys 1,2,3-Trimethylbenzene KEGG_COMPOUND 1,2,3-trimethylbenzene IUPAC Hemimellitene KEGG_COMPOUND hemellitol ChemIDplus hemimellitol ChemIDplus A trimethylbenzene carrying methyl groups at positions 1, 2 and 4. 0 C9H12 InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 GWHJZXXIDMPWGX-UHFFFAOYSA-N 120.19158 120.09390 Cc1ccc(C)c(C)c1 Beilstein:1903005 CAS:95-63-6 HMDB:HMDB0013733 KEGG:C14533 MetaCyc:PSEUDOCUMENE PMID:12038862 PMID:12705719 PMID:9091763 PMID:9117193 Reaxys:1903005 Wikipedia:1,2,4-Trimethylbenzene 1,2,4-Trimethylbenzene 1,2,4-trimethylbenzene chebi_ontology 1,3,4-Trimethylbenzene Pseudocumene Pseudocumol Psi-cumene Uns-trimethylbenzene as-Trimethylbenzene psi-Cumene CHEBI:34039 1,2,4-trimethylbenzene Beilstein:1903005 Beilstein CAS:95-63-6 ChemIDplus CAS:95-63-6 KEGG COMPOUND CAS:95-63-6 NIST Chemistry WebBook PMID:12038862 Europe PMC PMID:12705719 Europe PMC PMID:9091763 Europe PMC PMID:9117193 Europe PMC Reaxys:1903005 Reaxys 1,2,4-Trimethylbenzene KEGG_COMPOUND 1,2,4-trimethylbenzene IUPAC 1,3,4-Trimethylbenzene ChemIDplus Pseudocumene KEGG_COMPOUND Pseudocumol ChemIDplus Psi-cumene ChemIDplus Uns-trimethylbenzene ChemIDplus as-Trimethylbenzene ChemIDplus psi-Cumene NIST_Chemistry_WebBook A phenylenediamine in which the two amino groups are ortho to each other. 0 C6H8N2 InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2 GEYOCULIXLDCMW-UHFFFAOYSA-N 108.14120 108.06875 Nc1ccccc1N Beilstein:606074 CAS:95-54-5 KEGG:C14402 PMID:23099167 PMID:23172354 PMID:23220522 PMID:23232561 PMID:23245188 PMID:23317160 PMID:23323634 PMID:23364618 PMID:23452313 PMID:2420897 PMID:9025914 Reaxys:606074 Wikipedia:O-Phenylenediamine benzene-1,2-diamine chebi_ontology 1,2-Diaminobenzene 2-Aminoaniline 2-Phenylene diamine OPDA o-Phenylenediamine phenylene-1,2-dimaine CHEBI:34043 1,2-phenylenediamine Beilstein:606074 Beilstein CAS:95-54-5 ChemIDplus CAS:95-54-5 KEGG COMPOUND CAS:95-54-5 NIST Chemistry WebBook PMID:23099167 Europe PMC PMID:23172354 Europe PMC PMID:23220522 Europe PMC PMID:23232561 Europe PMC PMID:23245188 Europe PMC PMID:23317160 Europe PMC PMID:23323634 Europe PMC PMID:23364618 Europe PMC PMID:23452313 Europe PMC PMID:2420897 Europe PMC PMID:9025914 Europe PMC Reaxys:606074 Reaxys benzene-1,2-diamine IUPAC 1,2-Diaminobenzene KEGG_COMPOUND 2-Aminoaniline ChemIDplus 2-Phenylene diamine KEGG_COMPOUND OPDA ChemIDplus o-Phenylenediamine KEGG_COMPOUND phenylene-1,2-dimaine ChEBI 0 C3H5Br2Cl InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2 WBEJYOJJBDISQU-UHFFFAOYSA-N 236.332 233.84465 ClCC(Br)CBr CAS:96-12-8 KEGG:C14336 PPDB:1441 1,2-Dibromo-3-chloropropane chebi_ontology DBCP CHEBI:34044 1,2-Dibromo-3-chloropropane CAS:96-12-8 KEGG COMPOUND 1,2-Dibromo-3-chloropropane KEGG_COMPOUND DBCP KEGG_COMPOUND An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment. 0 C12H13NO2S InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) GYSSRZJIHXQEHQ-UHFFFAOYSA-N 235.30200 235.06670 CC1=C(SCCO1)C(=O)Nc1ccccc1 Beilstein:983249 CAS:5234-68-4 KEGG:C11255 LINCS:LSM-25660 MetaCyc:CPD0-1366 PDBeChem:CBE PMID:21228470 PMID:23047320 PMID:23261124 PMID:24119086 PMID:24785712 PPDB:122 Pesticides:carboxin Reaxys:983249 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide chebi_ontology 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin Carbathiin Carboxine oxatin CHEBI:3405 carboxin Beilstein:983249 ChemIDplus CAS:5234-68-4 ChemIDplus CAS:5234-68-4 KEGG COMPOUND CAS:5234-68-4 NIST Chemistry WebBook PMID:21228470 Europe PMC PMID:23047320 Europe PMC PMID:23261124 Europe PMC PMID:24119086 Europe PMC PMID:24785712 Europe PMC Pesticides:carboxin Alan Wood's Pesticides Reaxys:983249 Reaxys 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide IUPAC 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin ChemIDplus 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide NIST_Chemistry_WebBook 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin ChemIDplus 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide ChemIDplus 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin ChemIDplus 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide ChemIDplus 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin ChemIDplus Carbathiin ChemIDplus Carboxine ChemIDplus oxatin MetaCyc 0 C6H4N2O4 InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H IZUKQUVSCNEFMJ-UHFFFAOYSA-N 168.10700 168.01711 [O-][N+](=O)c1ccccc1[N+]([O-])=O Beilstein:642224 CAS:528-29-0 KEGG:C14702 1,2-Dinitrobenzene 1,2-dinitrobenzene chebi_ontology 1,2-Dinitrobenzol o-Dinitrobenzene CHEBI:34053 1,2-dinitrobenzene Beilstein:642224 Beilstein CAS:528-29-0 KEGG COMPOUND 1,2-Dinitrobenzene KEGG_COMPOUND 1,2-dinitrobenzene IUPAC 1,2-Dinitrobenzol ChemIDplus o-Dinitrobenzene KEGG_COMPOUND 0 C16H8N2O4 InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H GUXACCKTQWVTLG-UHFFFAOYSA-N 292.246 292.04841 [O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+]([O-])=O CAS:42397-64-8 KEGG:C14424 1,6-Dinitropyrene chebi_ontology CHEBI:34066 1,6-Dinitropyrene CAS:42397-64-8 KEGG COMPOUND 1,6-Dinitropyrene KEGG_COMPOUND 0 C16H8N2O4 InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H BLYXNIHKOMELAP-UHFFFAOYSA-N 292.246 292.04841 [O-][N+](=O)c1ccc2ccc3ccc([N+]([O-])=O)c4ccc1c2c34 CAS:42397-65-9 KEGG:C14423 1,8-Dinitropyrene chebi_ontology CHEBI:34069 1,8-Dinitropyrene CAS:42397-65-9 KEGG COMPOUND 1,8-Dinitropyrene KEGG_COMPOUND A 3-oxo Delta(4)-steroid that is progesterone which has been oxidised to introduce a double bond between positions 1 and 2. 0 C21H28O2 InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 QIEPWCSVQYUPIY-LEKSSAKUSA-N 312.44582 312.20893 [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O Beilstein:1999508 CAS:1162-54-5 KEGG:C14677 Reaxys:1999508 pregna-1,4-diene-3,20-dione chebi_ontology 1,2-dehydroprogesterone 1,2-didehydroprogesterone 1-Dehydroprogesterone 3,20-dioxo-1,4-pregnadiene 3,20-dioxo-pregna-1,4-diene Pregna-1,4-diene-3,20-dione delta1-Progesterone CHEBI:34073 Delta(1)-progesterone Beilstein:1999508 Beilstein CAS:1162-54-5 ChemIDplus CAS:1162-54-5 KEGG COMPOUND Reaxys:1999508 Reaxys pregna-1,4-diene-3,20-dione IUPAC 1,2-dehydroprogesterone ChemIDplus 1,2-didehydroprogesterone ChEBI 1-Dehydroprogesterone KEGG_COMPOUND 3,20-dioxo-1,4-pregnadiene ChEBI 3,20-dioxo-pregna-1,4-diene ChEBI Pregna-1,4-diene-3,20-dione KEGG_COMPOUND delta1-Progesterone KEGG_COMPOUND A mononitronaphthalene substituted by a nitro group at position 1. 0 C10H7NO2 InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H RJKGJBPXVHTNJL-UHFFFAOYSA-N 173.16812 173.04768 [O-][N+](=O)c1cccc2ccccc12 Beilstein:1867714 CAS:86-57-7 KEGG:C14040 PMID:21264431 PMID:21420130 PMID:21922113 PMID:22894348 PMID:23013142 PMID:9020398 Reaxys:1867714 1-Nitronaphthalene 1-nitronaphthalene chebi_ontology Nitrol alpha-nitronaphthalene CHEBI:34104 1-nitronaphthalene Beilstein:1867714 Beilstein CAS:86-57-7 ChemIDplus CAS:86-57-7 KEGG COMPOUND CAS:86-57-7 NIST Chemistry WebBook PMID:21264431 Europe PMC PMID:21420130 Europe PMC PMID:21922113 Europe PMC PMID:22894348 Europe PMC PMID:23013142 Europe PMC PMID:9020398 Europe PMC Reaxys:1867714 Reaxys 1-Nitronaphthalene KEGG_COMPOUND 1-nitronaphthalene IUPAC Nitrol ChemIDplus alpha-nitronaphthalene NIST_Chemistry_WebBook A nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion, it is the predominant nitrated polycyclic aromatic hydrocarbon emitted in a diesel engine. 0 C16H9NO2 InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H ALRLPDGCPYIVHP-UHFFFAOYSA-N 247.24820 247.06333 [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34 CHEBI:76262 Beilstein:1882811 CAS:5522-43-0 KEGG:C14421 PMID:21861515 PMID:21872649 PMID:22458822 PMID:23348104 Reaxys:1882811 Wikipedia:1-Nitropyrene 1-Nitropyrene 1-nitropyrene chebi_ontology 3-Nitropyrene CHEBI:34107 1-nitropyrene Beilstein:1882811 ChemIDplus CAS:5522-43-0 ChemIDplus CAS:5522-43-0 KEGG COMPOUND PMID:21861515 Europe PMC PMID:21872649 Europe PMC PMID:22458822 Europe PMC PMID:23348104 Europe PMC Reaxys:1882811 Reaxys 1-Nitropyrene KEGG_COMPOUND 1-nitropyrene IUPAC 3-Nitropyrene ChemIDplus A hexachlorobiphenyl that is biphenyl in which the hydrogens at the 2, 3, and 5 positions of each of the benzene rings are replaced by chlorines. 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4H AJKLKINFZLWHQE-UHFFFAOYSA-N 360.87636 357.84442 Clc1cc(Cl)c(Cl)c(c1)-c1cc(Cl)cc(Cl)c1Cl Beilstein:2288106 CAS:35694-04-3 KEGG:C14367 2,2',3,3',5,5'-Hexachlorobiphenyl 2,2',3,3',5,5'-hexachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,2',3,3',5,5'-Hexachloro- 2,3,5,2',3',5'-Hexachlorobiphenyl PCB 133 CHEBI:34197 2,2',3,3',5,5'-hexachlorobiphenyl Beilstein:2288106 Beilstein CAS:35694-04-3 ChemIDplus CAS:35694-04-3 KEGG COMPOUND CAS:35694-04-3 NIST Chemistry WebBook 2,2',3,3',5,5'-Hexachlorobiphenyl KEGG_COMPOUND 2,2',3,3',5,5'-hexachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,2',3,3',5,5'-Hexachloro- NIST_Chemistry_WebBook 2,3,5,2',3',5'-Hexachlorobiphenyl ChemIDplus PCB 133 KEGG_COMPOUND 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H FZFUUSROAHKTTF-UHFFFAOYSA-N 360.87636 357.84442 Clc1ccc(Cl)c(c1Cl)-c1c(Cl)ccc(Cl)c1Cl Beilstein:2294224 CAS:38411-22-2 KEGG:C14369 2,2',3,3',6,6'-Hexachlorobiphenyl 2,2',3,3',6,6'-hexachloro-1,1'-biphenyl chebi_ontology 2,3,6,2',3',6'-Hexachlorobiphenyl PCB 136 CHEBI:34199 2,2',3,3',6,6'-hexachlorobiphenyl Beilstein:2294224 Beilstein CAS:38411-22-2 ChemIDplus CAS:38411-22-2 KEGG COMPOUND CAS:38411-22-2 NIST Chemistry WebBook 2,2',3,3',6,6'-Hexachlorobiphenyl KEGG_COMPOUND 2,2',3,3',6,6'-hexachloro-1,1'-biphenyl IUPAC 2,3,6,2',3',6'-Hexachlorobiphenyl ChemIDplus PCB 136 KEGG_COMPOUND 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H MVWHGTYKUMDIHL-UHFFFAOYSA-N 360.87636 357.84442 Clc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl Beilstein:1990497 CAS:35065-27-1 KEGG:C14201 2,2',4,4',5,5'-Hexachlorobiphenyl 2,2',4,4',5,5'-hexachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro- 2,4,5,2',4',5'-Hexachlorobiphenyl PCB 153 CHEBI:34202 2,2',4,4',5,5'-hexachlorobiphenyl Beilstein:1990497 Beilstein CAS:35065-27-1 ChemIDplus CAS:35065-27-1 KEGG COMPOUND CAS:35065-27-1 NIST Chemistry WebBook 2,2',4,4',5,5'-Hexachlorobiphenyl KEGG_COMPOUND 2,2',4,4',5,5'-hexachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro- NIST_Chemistry_WebBook 2,4,5,2',4',5'-Hexachlorobiphenyl ChemIDplus PCB 153 KEGG_COMPOUND A hexachlorobiphenyl that is biphenyl in which both of the phenyl rings are substituted at positons 2, 4, and 6 by chlorines. 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H ICOAEPDGFWLUTI-UHFFFAOYSA-N 360.87636 357.84442 Clc1cc(Cl)c(c(Cl)c1)-c1c(Cl)cc(Cl)cc1Cl Beilstein:2058693 CAS:33979-03-2 KEGG:C14202 2,2',4,4',6,6'-Hexachlorobiphenyl 2,2',4,4',6,6'-hexachloro-1,1'-biphenyl chebi_ontology 2,2',4,4',6,6'-Hcb 2,2',4,4',6,6'-Hexachlorodiphenyl 2,4,6,2',4',6'-Hexachlorobiphenyl PCB 155 CHEBI:34203 2,2',4,4',6,6'-hexachlorobiphenyl Beilstein:2058693 Beilstein CAS:33979-03-2 ChemIDplus CAS:33979-03-2 KEGG COMPOUND CAS:33979-03-2 NIST Chemistry WebBook 2,2',4,4',6,6'-Hexachlorobiphenyl KEGG_COMPOUND 2,2',4,4',6,6'-hexachloro-1,1'-biphenyl IUPAC 2,2',4,4',6,6'-Hcb ChemIDplus 2,2',4,4',6,6'-Hexachlorodiphenyl ChemIDplus 2,4,6,2',4',6'-Hexachlorobiphenyl ChemIDplus PCB 155 KEGG_COMPOUND A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H QORAVNMWUNPXAO-UHFFFAOYSA-N 291.98684 289.92236 Clc1ccc(c(Cl)c1)-c1ccc(Cl)cc1Cl Beilstein:2052543 CAS:2437-79-8 KEGG:C14247 2,2',4,4'-Tetrachlorobiphenyl 2,2',4,4'-tetrachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,2',4,4'-tetrachloro- 2,2',4,4'-Tetrachlorodiphenyl 2,4,2',4'-Tetrachlorobiphenyl PCB 47 CHEBI:34204 2,2',4,4'-tetrachlorobiphenyl Beilstein:2052543 Beilstein CAS:2437-79-8 ChemIDplus CAS:2437-79-8 KEGG COMPOUND CAS:2437-79-8 NIST Chemistry WebBook 2,2',4,4'-Tetrachlorobiphenyl KEGG_COMPOUND 2,2',4,4'-tetrachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,2',4,4'-tetrachloro- NIST_Chemistry_WebBook 2,2',4,4'-Tetrachlorodiphenyl NIST_Chemistry_WebBook 2,4,2',4'-Tetrachlorobiphenyl ChemIDplus PCB 47 KEGG_COMPOUND A tetrachlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 4, 5, and 2' are replaced by chlorines. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H XBTHILIDLBPRPM-UHFFFAOYSA-N 291.98800 289.92236 Clc1ccccc1-c1cc(Cl)c(Cl)cc1Cl Beilstein:6401616 CAS:70362-47-9 KEGG:C14360 2,2',4,5-Tetrachlorobiphenyl 2,2',4,5-tetrachloro-1,1'-biphenyl chebi_ontology 2,2',4,5-tetrachlorodiphenyl PCB 48 CHEBI:34205 2,2',4,5-tetrachlorobiphenyl Beilstein:6401616 Beilstein CAS:70362-47-9 KEGG COMPOUND 2,2',4,5-Tetrachlorobiphenyl KEGG_COMPOUND 2,2',4,5-tetrachloro-1,1'-biphenyl IUPAC 2,2',4,5-tetrachlorodiphenyl ChEBI PCB 48 KEGG_COMPOUND A tetrachlorobiphenyl that is biphenyl in which the hydrogens at the 2 and 5 position of each benzene ring are replaced by chlorines. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H HCWZEPKLWVAEOV-UHFFFAOYSA-N 291.98684 289.92236 Clc1ccc(Cl)c(c1)-c1cc(Cl)ccc1Cl Beilstein:2053828 CAS:35693-99-3 KEGG:C14199 2,2',5,5'-Tetrachlorobiphenyl 2,2',5,5'-tetrachloro-1,1'-biphenyl chebi_ontology 2,2',5,5'-TCB 2,3',5,6'-tetrachlorobiphenyl 2,5,2',5'-tetrachlorobiphenyl PCB 52 CHEBI:34206 2,2',5,5'-tetrachlorobiphenyl Beilstein:2053828 Beilstein CAS:35693-99-3 ChemIDplus CAS:35693-99-3 KEGG COMPOUND CAS:35693-99-3 NIST Chemistry WebBook 2,2',5,5'-Tetrachlorobiphenyl KEGG_COMPOUND 2,2',5,5'-tetrachloro-1,1'-biphenyl IUPAC 2,2',5,5'-TCB KEGG_COMPOUND 2,3',5,6'-tetrachlorobiphenyl ChemIDplus 2,5,2',5'-tetrachlorobiphenyl ChemIDplus PCB 52 KEGG_COMPOUND A trichlorobiphenyl that is 1,4-dichlorobenzene in which one of the hydrogens has been replaced by a 3-chlorophenyl group. 0 C12H7Cl3 InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H ONNCPBRWFSKDMQ-UHFFFAOYSA-N 257.54208 255.96133 Clc1cccc(c1)-c1cc(Cl)ccc1Cl Beilstein:4415968 CAS:38444-81-4 KEGG:C14358 2,3',5-trichloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,3',5-trichloro- 2,5,3'-Trichlorobiphenyl 3,2',5'-Trichlorobiphenyl PCB 26 CHEBI:34215 2,3',5-trichlorobiphenyl Beilstein:4415968 Beilstein CAS:38444-81-4 ChemIDplus CAS:38444-81-4 KEGG COMPOUND CAS:38444-81-4 NIST Chemistry WebBook 2,3',5-trichloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,3',5-trichloro- NIST_Chemistry_WebBook 2,5,3'-Trichlorobiphenyl ChemIDplus 3,2',5'-Trichlorobiphenyl ChemIDplus PCB 26 KEGG_COMPOUND 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H BQENMISTWGTJIJ-UHFFFAOYSA-N 326.43160 323.88339 Clc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl Beilstein:4464227 CAS:70424-69-0 KEGG:C14365 2,3,3',4,5-Pentachlorobiphenyl 2,3,3',4,5-pentachloro-1,1'-biphenyl chebi_ontology 2,3,4,5,3'-pentachlorobiphenyl PCB 106 CHEBI:34216 2,3,3',4,5-pentachlorobiphenyl Beilstein:4464227 Beilstein CAS:70424-69-0 KEGG COMPOUND 2,3,3',4,5-Pentachlorobiphenyl KEGG_COMPOUND 2,3,3',4,5-pentachloro-1,1'-biphenyl IUPAC 2,3,4,5,3'-pentachlorobiphenyl ChEBI PCB 106 KEGG_COMPOUND A tetrachlorobiphenyl in which the chlorines are positions at positions 2, 3, 4, and 4'. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H XLDBTRJKXLKYTC-UHFFFAOYSA-N 291.98684 289.92236 Clc1ccc(cc1)-c1ccc(Cl)c(Cl)c1Cl Beilstein:5016362 CAS:33025-41-1 KEGG:C14361 2,3,4,4'-Tetrachlorobiphenyl 2,3,4,4'-tetrachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,3,4,4'-tetrachloro- PCB 60 CHEBI:34218 2,3,4,4'-tetrachlorobiphenyl Beilstein:5016362 Beilstein CAS:33025-41-1 ChemIDplus CAS:33025-41-1 KEGG COMPOUND CAS:33025-41-1 NIST Chemistry WebBook 2,3,4,4'-Tetrachlorobiphenyl KEGG_COMPOUND 2,3,4,4'-tetrachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,3,4,4'-tetrachloro- ChemIDplus 1,1'-Biphenyl, 2,3,4,4'-tetrachloro- NIST_Chemistry_WebBook PCB 60 KEGG_COMPOUND 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H GGMPTLAAIUQMIE-UHFFFAOYSA-N 326.43160 323.88339 Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl Beilstein:2056539 CAS:18259-05-7 KEGG:C14366 2,3,4,5,6-Pentachlorobiphenyl 2,3,4,5,6-pentachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,3,4,5,6-pentachloro- PCB 116 CHEBI:34219 2,3,4,5,6-pentachlorobiphenyl Beilstein:2056539 Beilstein CAS:18259-05-7 ChemIDplus CAS:18259-05-7 KEGG COMPOUND CAS:18259-05-7 NIST Chemistry WebBook 2,3,4,5,6-Pentachlorobiphenyl KEGG_COMPOUND 2,3,4,5,6-Pentachlorobiphenyl NIST_Chemistry_WebBook 2,3,4,5,6-pentachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,3,4,5,6-pentachloro- ChemIDplus PCB 116 KEGG_COMPOUND 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H HLQDGCWIOSOMDP-UHFFFAOYSA-N 291.98684 289.92236 Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl Beilstein:1971826 CAS:33284-53-6 KEGG:C14362 2,3,4,5-Tetrachlorobiphenyl 2,3,4,5-tetrachloro-1,1'-biphenyl chebi_ontology 2,3,4,5-Tetrachloro-1,1'-biphenyl PCB 61 CHEBI:34221 2,3,4,5-tetrachlorobiphenyl Beilstein:1971826 Beilstein CAS:33284-53-6 ChemIDplus CAS:33284-53-6 KEGG COMPOUND CAS:33284-53-6 NIST Chemistry WebBook 2,3,4,5-Tetrachlorobiphenyl KEGG_COMPOUND 2,3,4,5-tetrachloro-1,1'-biphenyl IUPAC 2,3,4,5-Tetrachloro-1,1'-biphenyl ChemIDplus PCB 61 KEGG_COMPOUND A trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines. 0 C12H7Cl3 InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H IUYHQGMDSZOPDZ-UHFFFAOYSA-N 257.54208 255.96133 Clc1ccc(-c2ccccc2)c(Cl)c1Cl CAS:55702-46-0 KEGG:C14357 2,3,4-Trichlorobiphenyl 2,3,4-trichloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,3,4-trichloro- PCB 21 CHEBI:34222 2,3,4-trichlorobiphenyl CAS:55702-46-0 ChemIDplus CAS:55702-46-0 KEGG COMPOUND CAS:55702-46-0 NIST Chemistry WebBook 2,3,4-Trichlorobiphenyl KEGG_COMPOUND 2,3,4-Trichlorobiphenyl NIST_Chemistry_WebBook 2,3,4-trichloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,3,4-trichloro- ChemIDplus PCB 21 KEGG_COMPOUND A tetrachlorobiphenyl that is biphenyl in which one of the phenyl groups is substituted by chlorines at positions 2, 3, 5, and 6. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-8-6-9(14)12(16)10(11(8)15)7-4-2-1-3-5-7/h1-6H BLAYIQLVUNIICD-UHFFFAOYSA-N 291.98684 289.92236 Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl CAS:33284-54-7 KEGG:C14363 2,3,5,6-Tetrachlorobiphenyl 2,3,5,6-tetrachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,3,5,6-tetrachloro- PCB 65 CHEBI:34224 2,3,5,6-tetrachlorobiphenyl CAS:33284-54-7 ChemIDplus CAS:33284-54-7 KEGG COMPOUND 2,3,5,6-Tetrachlorobiphenyl KEGG_COMPOUND 2,3,5,6-tetrachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,3,5,6-tetrachloro- ChemIDplus PCB 65 KEGG_COMPOUND A trichlorobiphenyl that is 1,2,4-trichlorobenzene in which the hydrogen at position 3 has been replaced by a phenyl group. 0 C12H7Cl3 InChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H LVROLHVSYNLFBE-UHFFFAOYSA-N 257.54208 255.96133 Clc1ccc(Cl)c(-c2ccccc2)c1Cl CAS:55702-45-9 KEGG:C14359 2,3,6-Trichlorobiphenyl 2,3,6-trichloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,3,6-trichloro- PCB 24 CHEBI:34225 2,3,6-trichlorobiphenyl CAS:55702-45-9 ChemIDplus CAS:55702-45-9 KEGG COMPOUND 2,3,6-Trichlorobiphenyl KEGG_COMPOUND 2,3,6-trichloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,3,6-trichloro- ChemIDplus PCB 24 KEGG_COMPOUND A dichlorobiphenyl that is chlorobenzene in which the hydrogen at position 2 has been replaced by a 4-chlorophenyl group. 0 C12H8Cl2 InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H UFNIBRDIUNVOMX-UHFFFAOYSA-N 223.09732 222.00031 Clc1ccc(cc1)-c1ccccc1Cl CAS:34883-43-7 KEGG:C14246 2,4'-Dichlorobiphenyl 2,4'-dichloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,4'-dichloro- PCB 8 CHEBI:34232 2,4'-dichlorobiphenyl CAS:34883-43-7 ChemIDplus CAS:34883-43-7 KEGG COMPOUND CAS:34883-43-7 NIST Chemistry WebBook 2,4'-Dichlorobiphenyl KEGG_COMPOUND 2,4'-dichloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,4'-dichloro- NIST_Chemistry_WebBook PCB 8 KEGG_COMPOUND A tetrachlorobiphenyl that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a p-chlorophenyl group. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H RZFZBHKDGHISSH-UHFFFAOYSA-N 291.98684 289.92236 Clc1ccc(cc1)-c1c(Cl)cc(Cl)cc1Cl CAS:32598-12-2 KEGG:C14364 2,4,4',6-Tetrachlorobiphenyl 2,4,4',6-tetrachloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,4,4',6-tetrachloro- 2,4,6,4'-tetrachlorobiphenyl PCB 75 CHEBI:34233 2,4,4',6-tetrachlorobiphenyl CAS:32598-12-2 ChemIDplus CAS:32598-12-2 KEGG COMPOUND 2,4,4',6-Tetrachlorobiphenyl KEGG_COMPOUND 2,4,4',6-tetrachloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,4,4',6-tetrachloro- ChemIDplus 2,4,6,4'-tetrachlorobiphenyl ChEBI PCB 75 KEGG_COMPOUND An aminotoluene that is para-toluidine with an additional amino group at position 2. 0 C7H10N2 InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 VOZKAJLKRJDJLL-UHFFFAOYSA-N 122.16770 122.08440 Cc1ccc(N)cc1N CAS:95-80-7 KEGG:C14401 Reaxys:2205839 4-methylbenzene-1,3-diamine chebi_ontology CHEBI:34237 2,4-diaminotoluene CAS:95-80-7 ChemIDplus CAS:95-80-7 KEGG COMPOUND Reaxys:2205839 Reaxys 4-methylbenzene-1,3-diamine IUPAC A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. 0 C8H10O InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 KUFFULVDNCHOFZ-UHFFFAOYSA-N 122.167 122.07316 CC1=CC(C)=C(O)C=C1 AGR:IND607288222 CAS:105-67-9 Chemspider:13839123 HMDB:HMDB0245456 KEGG:C14582 KNApSAcK:C00052596 MetaCyc:CPD-18280 PDBeChem:N0D PMID:18602751 PMID:18949436 PMID:18962311 PMID:19430139 PMID:20441950 PMID:21056717 PMID:21290525 PMID:22113936 PMID:23736872 PMID:24892532 PMID:25641836 PMID:26567311 PMID:26961915 PMID:29276958 PMID:30483493 PMID:30922799 PMID:31445024 PMID:32772833 PMID:32841770 PMID:33120340 PMID:33268651 PMID:34214809 PMID:4387388 PMID:6778378 PMID:7067652 PMID:8281889 PPDB:1619 Reaxys:636244 2,4-dimethylphenol chebi_ontology 1,3-dimethyl-4-hydroxybenzene 1-hydroxy-2,4-dimethylbenzene 2,4-DMP 2-methyl-p-cresol 4,6-dimethylphenol 4-hydroxy-1,3-dimethylbenzene 4-hydroxy-m-xylene asym-m-xylenol gallex m-xylenol CHEBI:34241 2,4-xylenol AGR:IND607288222 Europe PMC CAS:105-67-9 ChemIDplus CAS:105-67-9 NIST Chemistry WebBook PMID:18602751 Europe PMC PMID:18949436 Europe PMC PMID:18962311 Europe PMC PMID:19430139 Europe PMC PMID:20441950 Europe PMC PMID:21056717 Europe PMC PMID:21290525 Europe PMC PMID:22113936 Europe PMC PMID:23736872 Europe PMC PMID:24892532 Europe PMC PMID:25641836 Europe PMC PMID:26567311 Europe PMC PMID:26961915 Europe PMC PMID:29276958 Europe PMC PMID:30483493 Europe PMC PMID:30922799 Europe PMC PMID:31445024 Europe PMC PMID:32772833 Europe PMC PMID:32841770 Europe PMC PMID:33120340 Europe PMC PMID:33268651 Europe PMC PMID:34214809 Europe PMC PMID:4387388 Europe PMC PMID:6778378 Europe PMC PMID:7067652 Europe PMC PMID:8281889 Europe PMC Reaxys:636244 Reaxys 2,4-dimethylphenol IUPAC 1,3-dimethyl-4-hydroxybenzene NIST_Chemistry_WebBook 1-hydroxy-2,4-dimethylbenzene ChemIDplus 2,4-DMP PPDB 2-methyl-p-cresol ChEBI 4,6-dimethylphenol ChemIDplus 4-hydroxy-1,3-dimethylbenzene ChemIDplus 4-hydroxy-m-xylene ChEBI asym-m-xylenol ChEBI gallex ChemIDplus m-xylenol ChemIDplus A dichlorobiphenyl that is p-dichlorobenzene in which one of the hydrogens has been replaced by a phenyl group. 0 C12H8Cl2 InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H KKQWHYGECTYFIA-UHFFFAOYSA-N 223.09732 222.00031 Clc1ccc(Cl)c(c1)-c1ccccc1 CAS:34883-39-1 KEGG:C14354 2,5-Dichlorobiphenyl 2,5-dichloro-1,1'-biphenyl chebi_ontology 1,1'-Biphenyl, 2,5-dichloro- PCB 9 CHEBI:34246 2,5-dichlorobiphenyl CAS:34883-39-1 ChemIDplus CAS:34883-39-1 KEGG COMPOUND CAS:34883-39-1 NIST Chemistry WebBook 2,5-Dichlorobiphenyl KEGG_COMPOUND 2,5-dichloro-1,1'-biphenyl IUPAC 1,1'-Biphenyl, 2,5-dichloro- NIST_Chemistry_WebBook PCB 9 KEGG_COMPOUND A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. butylated hydroxytoluene (bht) http://langual.org 0 C15H24O InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 NLZUEZXRPGMBCV-UHFFFAOYSA-N 220.35046 220.18272 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Beilstein:1911640 CAS:128-37-0 Chemspider:13835296 Codex::321 Europe::321 FooDB:FDB011992 HMDB:HMDB0033826 KEGG:C14693 KEGG:D02413 LINCS:LSM-19020 PMID:11837686 PMID:24612426 PMID:24617543 PMID:29864697 PMID:31029976 PMID:31780362 PMID:32304926 PMID:32322261 PMID:32387881 PMID:32397407 PMID:32963880 PMID:33039371 PMID:33091556 PMID:33519739 PMID:33792845 PMID:34013795 PMID:34041400 PMID:34443068 PMID:448040 Reaxys:1911640 Wikipedia:Butylated_hydroxytoluene http://www.langual.org/langual_thesaurus.asp?termid=B3023 2,6-di-tert-butyl-4-methylphenol chebi_ontology 1-hydroxy-4-methyl-2,6-di-tert-butylbenzene 2,6-bis(1,1-dimethylethyl)-4-methylphenol 2,6-di-t-butyl-4-methylphenol 2,6-di-t-butyl-p-cresol 2,6-di-tert-butyl-1-hydroxy-4-methylbenzene 2,6-di-tert-butyl-4-cresol 2,6-di-tert-butyl-4-hydroxytoluene 2,6-di-tert-butyl-4-methylhydroxybenzene 2,6-di-tert-butyl-p-cresol BHT FEMA 2184 butylated hydroxytoluene butylhydroxytoluene o-di-tert-butyl-p-methylphenol butylated hydroxytoluene CHEBI:34247 LanguaL term definition: Food additive; technological purpose(s): antioxidant. 2,6-di-tert-butyl-4-methylphenol Beilstein:1911640 Beilstein CAS:128-37-0 ChemIDplus CAS:128-37-0 NIST Chemistry WebBook PMID:11837686 Europe PMC PMID:24612426 Europe PMC PMID:24617543 Europe PMC PMID:29864697 Europe PMC PMID:31029976 Europe PMC PMID:31780362 Europe PMC PMID:32304926 Europe PMC PMID:32322261 Europe PMC PMID:32387881 Europe PMC PMID:32397407 Europe PMC PMID:32963880 Europe PMC PMID:33039371 Europe PMC PMID:33091556 Europe PMC PMID:33519739 Europe PMC PMID:33792845 Europe PMC PMID:34013795 Europe PMC PMID:34041400 Europe PMC PMID:34443068 Europe PMC PMID:448040 Europe PMC Reaxys:1911640 Reaxys 2,6-di-tert-butyl-4-methylphenol IUPAC 1-hydroxy-4-methyl-2,6-di-tert-butylbenzene ChemIDplus 2,6-bis(1,1-dimethylethyl)-4-methylphenol KEGG_COMPOUND 2,6-di-t-butyl-4-methylphenol KEGG_COMPOUND 2,6-di-t-butyl-p-cresol ChemIDplus 2,6-di-tert-butyl-1-hydroxy-4-methylbenzene ChemIDplus 2,6-di-tert-butyl-4-cresol ChemIDplus 2,6-di-tert-butyl-4-hydroxytoluene ChemIDplus 2,6-di-tert-butyl-4-methylhydroxybenzene ChemIDplus 2,6-di-tert-butyl-p-cresol KEGG_COMPOUND BHT KEGG_COMPOUND FEMA 2184 HMDB butylated hydroxytoluene KEGG_COMPOUND butylhydroxytoluene KEGG_COMPOUND o-di-tert-butyl-p-methylphenol ChemIDplus A dichlorobiphenyl that is 1,3-dichlorobenzene in which the hydrogen at position 2 is replaced by a phenyl group. 0 C12H8Cl2 InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H IYZWUWBAFUBNCH-UHFFFAOYSA-N 223.09732 222.00031 Clc1cccc(Cl)c1-c1ccccc1 CAS:33146-45-1 KEGG:C14355 PDBeChem:DC5 2,6-Dichlorobiphenyl 2,6-dichloro-1,1'-biphenyl chebi_ontology PCB 10 CHEBI:34249 2,6-dichlorobiphenyl CAS:33146-45-1 ChemIDplus CAS:33146-45-1 KEGG COMPOUND CAS:33146-45-1 NIST Chemistry WebBook 2,6-Dichlorobiphenyl KEGG_COMPOUND 2,6-dichloro-1,1'-biphenyl IUPAC PCB 10 KEGG_COMPOUND A dimethylnaphthalene carrying methyl groups at positions 2 and 6. 0 C12H12 InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3 YGYNBBAUIYTWBF-UHFFFAOYSA-N 156.22368 156.09390 Cc1ccc2cc(C)ccc2c1 Beilstein:1903544 CAS:581-42-0 HMDB:HMDB0059764 KEGG:C14330 PMID:20526527 PMID:22324881 Patent:EP1852409 Reaxys:1903544 Wikipedia:2,6-Dimethylnaphthalene 2,6-Dimethylnaphthalene 2,6-dimethylnaphthalene chebi_ontology 2,6-DMN CHEBI:34251 2,6-dimethylnaphthalene Beilstein:1903544 Beilstein CAS:581-42-0 KEGG COMPOUND CAS:581-42-0 NIST Chemistry WebBook PMID:20526527 Europe PMC PMID:22324881 Europe PMC Reaxys:1903544 Reaxys 2,6-Dimethylnaphthalene KEGG_COMPOUND 2,6-dimethylnaphthalene IUPAC 2,6-DMN Patent 0 C14H9NO2 InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2 XOGPDSATLSAZEK-UHFFFAOYSA-N 223.227 223.06333 Nc1ccc2C(=O)c3ccccc3C(=O)c2c1 CAS:117-79-3 KEGG:C14444 2-Aminoanthraquinone chebi_ontology CHEBI:34258 2-Aminoanthraquinone CAS:117-79-3 KEGG COMPOUND 2-Aminoanthraquinone KEGG_COMPOUND A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively. 0 C14H12O3 InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3 DXGLGDHPHMLXJC-UHFFFAOYSA-N 228.24330 228.07864 COc1ccc(C(=O)c2ccccc2)c(O)c1 CHEBI:569732 Beilstein:1913145 CAS:131-57-7 DrugBank:DB01428 Drug_Central:3412 HMDB:HMDB0015497 KEGG:C14285 KEGG:D05309 LINCS:LSM-3309 PMID:11169173 PMID:22721600 PMID:26118430 PMID:26167727 PMID:26295590 PMID:26487337 PMID:26589946 PMID:26686077 PMID:26736174 PMID:27085067 PMID:27544106 PMID:27796700 PMID:28192168 Patent:US2773903 Patent:US2861104 Patent:US2861105 Patent:US3073866 Reaxys:1913145 Wikipedia:Oxybenzone (2-hydroxy-4-methoxyphenyl)(phenyl)methanone chebi_ontology 2-Benzoyl-5-methoxyphenol 2-Hydroxy-4-methoxybenzophenone 4-Methoxy-2-hydroxybenzophenone Benzophenone-3 oxibenzona oxybenzone oxybenzonum CHEBI:34283 oxybenzone Beilstein:1913145 Beilstein CAS:131-57-7 ChemIDplus CAS:131-57-7 KEGG COMPOUND CAS:131-57-7 NIST Chemistry WebBook Drug_Central:3412 DrugCentral PMID:11169173 Europe PMC PMID:22721600 Europe PMC PMID:26118430 Europe PMC PMID:26167727 Europe PMC PMID:26295590 Europe PMC PMID:26487337 Europe PMC PMID:26589946 Europe PMC PMID:26686077 Europe PMC PMID:26736174 Europe PMC PMID:27085067 Europe PMC PMID:27544106 Europe PMC PMID:27796700 Europe PMC PMID:28192168 Europe PMC Reaxys:1913145 Reaxys (2-hydroxy-4-methoxyphenyl)(phenyl)methanone IUPAC 2-Benzoyl-5-methoxyphenol DrugBank 2-Hydroxy-4-methoxybenzophenone KEGG_COMPOUND 4-Methoxy-2-hydroxybenzophenone DrugBank Benzophenone-3 ChemIDplus oxibenzona ChemIDplus oxybenzone ChemIDplus oxybenzonum ChemIDplus 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. 0 C7H5NS2 InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YXIWHUQXZSMYRE-UHFFFAOYSA-N 167.25100 166.98634 Sc1nc2ccccc2s1 CHEBI:282886 Beilstein:508810 CAS:149-30-4 KEGG:C14437 LINCS:LSM-18993 PMID:18568896 PMID:18844695 PMID:19158128 PMID:21616561 PMID:23063874 PMID:23178179 PMID:23340394 UM-BBD_compID:c1019 1,3-benzothiazole-2-thiol chebi_ontology 1,3-Benzothiazol-2-yl hydrosulfide 2-Benzothiazolethiol 2-MBT 2-Mercaptobenzothiazole 2-sulfanyl-1,3-benzothiazole Benzothiazole-2-thiol Benzothiazolethiol Captax MBT Mercaptobenzothiazole benzothiazolyl mercaptan CHEBI:34292 1,3-benzothiazole-2-thiol Beilstein:508810 Beilstein CAS:149-30-4 KEGG COMPOUND CAS:149-30-4 NIST Chemistry WebBook PMID:18568896 Europe PMC PMID:18844695 Europe PMC PMID:19158128 Europe PMC PMID:21616561 Europe PMC PMID:23063874 Europe PMC PMID:23178179 Europe PMC PMID:23340394 Europe PMC UM-BBD_compID:c1019 UM-BBD 1,3-benzothiazole-2-thiol IUPAC 1,3-Benzothiazol-2-yl hydrosulfide NIST_Chemistry_WebBook 2-Benzothiazolethiol ChemIDplus 2-MBT ChemIDplus 2-Mercaptobenzothiazole KEGG_COMPOUND 2-sulfanyl-1,3-benzothiazole ChEBI Benzothiazole-2-thiol ChEMBL Benzothiazolethiol UM-BBD Captax KEGG_COMPOUND MBT UM-BBD Mercaptobenzothiazole ChemIDplus benzothiazolyl mercaptan ChEBI A member of the class of phenols that is phenol carrying a butan-2-yl group at position 2. 0 C10H14O InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3 NGFPWHGISWUQOI-UHFFFAOYSA-N 150.21756 150.10447 CCC(C)c1ccccc1O CAS:89-72-5 KEGG:C14138 PMID:19705287 PMID:22858690 PMID:24197220 Reaxys:1210026 2-sec-Butylphenol chebi_ontology 2-(1-Methylpropyl)phenol 2-(2-Butyl)phenol 2-(butan-2-yl)phenol o-sec-Butylphenol CHEBI:34303 2-sec-butylphenol CAS:89-72-5 ChemIDplus CAS:89-72-5 KEGG COMPOUND CAS:89-72-5 NIST Chemistry WebBook PMID:19705287 Europe PMC PMID:22858690 Europe PMC PMID:24197220 Europe PMC Reaxys:1210026 Reaxys 2-sec-Butylphenol KEGG_COMPOUND 2-(1-Methylpropyl)phenol KEGG_COMPOUND 2-(2-Butyl)phenol ChemIDplus 2-(butan-2-yl)phenol ChEBI o-sec-Butylphenol ChemIDplus A carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid. 0 C12H17NO2 InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14) DIRFUJHNVNOBMY-UHFFFAOYSA-N 207.26892 207.12593 CCC(C)c1ccccc1OC(=O)NC Beilstein:2052332 CAS:3766-81-2 KEGG:C14425 PMID:19089593 PMID:24553419 PMID:6510612 PPDB:1183 Reaxys:2052332 Wikipedia:Fenobucarb 2-(butan-2-yl)phenyl methylcarbamate Fenobucarb chebi_ontology 2-(1-methylpropyl)phenyl methylcarbamate 2-sec-Butylphenyl N-methylcarbamate 2-sec-Butylphenyl methylcarbamate BPMC Methylcarbamic acid o-sec-butylphenyl ester CHEBI:34304 fenobucarb Beilstein:2052332 Beilstein CAS:3766-81-2 ChemIDplus CAS:3766-81-2 KEGG COMPOUND CAS:3766-81-2 NIST Chemistry WebBook PMID:19089593 Europe PMC PMID:24553419 Europe PMC PMID:6510612 Europe PMC Reaxys:2052332 Reaxys 2-(butan-2-yl)phenyl methylcarbamate IUPAC Fenobucarb KEGG_COMPOUND 2-(1-methylpropyl)phenyl methylcarbamate IUPAC 2-sec-Butylphenyl N-methylcarbamate KEGG_COMPOUND 2-sec-Butylphenyl methylcarbamate ChemIDplus BPMC KEGG_COMPOUND Methylcarbamic acid o-sec-butylphenyl ester ChemIDplus A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H REHONNLQRWTIFF-UHFFFAOYSA-N 326.43160 323.88339 Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 CAS:57465-28-8 KEGG:C14573 3,3',4,4',5-Pentachlorobiphenyl 3,3',4,4',5-pentachloro-1,1'-biphenyl chebi_ontology 3,4,3',4',5'-Pentachlorobiphenyl 3,4,5,3',4'-Penta coplanar polychlorinated biphenyl 3,4,5,3',4'-Pentachlorobiphenyl PCB 126 CHEBI:34317 3,3',4,4',5-pentachlorobiphenyl CAS:57465-28-8 ChemIDplus CAS:57465-28-8 KEGG COMPOUND CAS:57465-28-8 NIST Chemistry WebBook 3,3',4,4',5-Pentachlorobiphenyl KEGG_COMPOUND 3,3',4,4',5-pentachloro-1,1'-biphenyl IUPAC 3,4,3',4',5'-Pentachlorobiphenyl ChemIDplus 3,4,5,3',4'-Penta coplanar polychlorinated biphenyl ChemIDplus 3,4,5,3',4'-Pentachlorobiphenyl ChemIDplus PCB 126 KEGG_COMPOUND 0 C14H16N2 InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3 NUIURNJTPRWVAP-UHFFFAOYSA-N 212.291 212.13135 Cc1cc(ccc1N)-c1ccc(N)c(C)c1 CAS:119-93-7 KEGG:C14443 3,3'-Dimethylbenzidine chebi_ontology 3,3'-Dimethyl-4,4'-diaminobiphenyl o-Tolidine CHEBI:34320 3,3'-Dimethylbenzidine CAS:119-93-7 KEGG COMPOUND 3,3'-Dimethylbenzidine KEGG_COMPOUND 3,3'-Dimethyl-4,4'-diaminobiphenyl KEGG_COMPOUND o-Tolidine KEGG_COMPOUND A dichlorobiphenyl that is 1,3-dichlorobenzene in which the hydrogen at position 5 has been replaced by a phenyl group. 0 C12H8Cl2 InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H QHZSDTDMQZPUKC-UHFFFAOYSA-N 223.09732 222.00031 Clc1cc(Cl)cc(c1)-c1ccccc1 CAS:34883-41-5 KEGG:C14356 3,5-Dichlorobiphenyl 3,5-dichloro-1,1'-biphenyl chebi_ontology PCB 14 CHEBI:34326 3,5-dichlorobiphenyl CAS:34883-41-5 ChemIDplus CAS:34883-41-5 KEGG COMPOUND CAS:34883-41-5 NIST Chemistry WebBook 3,5-Dichlorobiphenyl KEGG_COMPOUND 3,5-dichloro-1,1'-biphenyl IUPAC PCB 14 KEGG_COMPOUND A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. 0 C21H16 InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3 PPQNQXQZIWHJRB-UHFFFAOYSA-N 268.35174 268.12520 Cc1ccc2cc3c(ccc4ccccc34)c3CCc1c23 Beilstein:1913890 CAS:56-49-5 KEGG:C14470 LINCS:LSM-5711 PMID:11922910 PMID:16359657 PMID:24658119 PMID:26076008 PMID:7561049 Reaxys:1913890 Wikipedia:Methylcholanthrene 3-Methylcholanthrene 3-methyl-1,2-dihydrocyclopenta[ij]tetraphene chebi_ontology 1,2-Dihydro-3-methylbenz(j)aceanthrylene 20-MC 20-Methylcholanthrene 3-MC 3-MCA 3-methyl-1,2-dihydrobenzo[j]aceanthrylene MC MCA Methylcholanthrene CHEBI:34342 3-methylcholanthrene Beilstein:1913890 Beilstein CAS:56-49-5 ChemIDplus CAS:56-49-5 KEGG COMPOUND CAS:56-49-5 NIST Chemistry WebBook PMID:11922910 Europe PMC PMID:16359657 Europe PMC PMID:24658119 Europe PMC PMID:26076008 Europe PMC PMID:7561049 Europe PMC Reaxys:1913890 Reaxys 3-Methylcholanthrene KEGG_COMPOUND 3-methyl-1,2-dihydrocyclopenta[ij]tetraphene IUPAC 1,2-Dihydro-3-methylbenz(j)aceanthrylene ChemIDplus 20-MC ChemIDplus 20-Methylcholanthrene ChemIDplus 20-Methylcholanthrene NIST_Chemistry_WebBook 3-MC ChemIDplus 3-MCA ChemIDplus 3-methyl-1,2-dihydrobenzo[j]aceanthrylene IUPAC MC ChemIDplus MCA ChemIDplus Methylcholanthrene ChemIDplus A family of sulfated polysaccharides extracted from red seaweeds. The name is derived from a common name of red algae Chondrus crispus, "carrageen moss" (Irish moss). carrageenan http://langual.org CAS:9000-07-1 Codex::407 Europe::407 KEGG:C08818 KEGG:D03411 http://www.langual.org/langual_thesaurus.asp?termid=B3062 Carrageenan carrageenan chebi_ontology carrageenans carrageenin carragheanin carragheenan carraghenan carraghenans CHEBI:3435 LanguaL term definition: Food additive; technological purpose(s): bulking agent, carrier, coating agent, emulsifier, gelling agent, glazing agent, humectant, stabilizer, thickener. carrageenan carrageenan A dichlorobiphenyl carrying chloro groups at positions 4 and 4' respectively. 0 C12H8Cl2 InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H YTBRNEUEFCNVHC-UHFFFAOYSA-N 223.09732 222.00031 Clc1ccc(cc1)-c1ccc(Cl)cc1 CAS:2050-68-2 KEGG:C14248 PMID:22755535 PMID:24369744 Reaxys:2044700 4,4'-Dichlorobiphenyl 4,4'-dichloro-1,1'-biphenyl chebi_ontology PCB 15 p,p'-Dichlorobiphenyl p,p-DCBP p,p-Dcbp CHEBI:34364 4,4'-dichlorobiphenyl CAS:2050-68-2 ChemIDplus CAS:2050-68-2 KEGG COMPOUND CAS:2050-68-2 NIST Chemistry WebBook PMID:22755535 Europe PMC PMID:24369744 Europe PMC Reaxys:2044700 Reaxys 4,4'-Dichlorobiphenyl KEGG_COMPOUND 4,4'-dichloro-1,1'-biphenyl IUPAC PCB 15 KEGG_COMPOUND p,p'-Dichlorobiphenyl ChemIDplus p,p-DCBP NIST_Chemistry_WebBook p,p-Dcbp ChEBI 0 C6H4ClNO2 InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H CZGCEKJOLUNIFY-UHFFFAOYSA-N 157.555 156.99306 [O-][N+](=O)c1ccc(Cl)cc1 CAS:100-00-5 KEGG:C14456 4-Chloronitrobenzene chebi_ontology 1-Chloro-4-nitrobenzene CHEBI:34399 4-Chloronitrobenzene CAS:100-00-5 KEGG COMPOUND 4-Chloronitrobenzene KEGG_COMPOUND 1-Chloro-4-nitrobenzene KEGG_COMPOUND A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. 0 C14H22O InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3 NTDQQZYCCIDJRK-UHFFFAOYSA-N 206.32390 206.16707 CCCCCCCCc1ccc(O)cc1 CAS:1806-26-4 KEGG:C14132 PMID:20980040 PMID:22435736 PMID:23435201 PMID:23520882 PMID:23562958 PMID:23714150 PMID:23818073 PMID:23877625 PMID:24209326 Reaxys:2046736 4-octylphenol chebi_ontology 1-(p-hydroxyphenyl)octane 4-n-octylphenol p-octylphenol CHEBI:34432 4-octylphenol CAS:1806-26-4 ChemIDplus CAS:1806-26-4 KEGG COMPOUND CAS:1806-26-4 NIST Chemistry WebBook PMID:20980040 Europe PMC PMID:22435736 Europe PMC PMID:23435201 Europe PMC PMID:23520882 Europe PMC PMID:23562958 Europe PMC PMID:23714150 Europe PMC PMID:23818073 Europe PMC PMID:23877625 Europe PMC PMID:24209326 Europe PMC Reaxys:2046736 Reaxys 4-octylphenol IUPAC 1-(p-hydroxyphenyl)octane ChemIDplus 4-n-octylphenol NIST_Chemistry_WebBook p-octylphenol KEGG_COMPOUND A member of the class of phenols that is phenol which is para-substituted with a nonyl group. 0 C15H24O InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3 IGFHQQFPSIBGKE-UHFFFAOYSA-N 220.35046 220.18272 CCCCCCCCCc1ccc(O)cc1 CAS:104-40-5 HMDB:HMDB0038982 KEGG:C14550 LINCS:LSM-19987 PMID:18506497 PMID:21823570 PMID:22133150 PMID:24805085 PPDB:1543 Reaxys:2047450 4-Nonylphenol 4-nonylphenol chebi_ontology 4-n-Nonylphenol p-Nonylphenol p-n-Nonylphenol para Nonyl phenol CHEBI:34440 4-nonylphenol CAS:104-40-5 ChemIDplus CAS:104-40-5 KEGG COMPOUND CAS:104-40-5 NIST Chemistry WebBook PMID:18506497 Europe PMC PMID:21823570 Europe PMC PMID:22133150 Europe PMC PMID:24805085 Europe PMC Reaxys:2047450 Reaxys 4-Nonylphenol KEGG_COMPOUND 4-nonylphenol IUPAC 4-n-Nonylphenol KEGG_COMPOUND p-Nonylphenol KEGG_COMPOUND p-n-Nonylphenol ChemIDplus para Nonyl phenol NIST_Chemistry_WebBook A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group. 0 C4H10NO3PS InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N 183.16690 183.01190 COP(=O)(NC(C)=O)SC Beilstein:1936365 CAS:30560-19-1 KEGG:C14426 PMID:16526463 PMID:24001830 PMID:24138465 PPDB:9 Patent:CN102989760 Patent:CN102993230 Reaxys:1936365 Wikipedia:Acephate Acephate O,S-dimethyl acetylphosphoroamidothioate chebi_ontology Acetamidophos Acetylphosphoramidothioic acid O,S-dimethyl ester N-(Methoxy(methylthio)phosphinoyl)acetamide O,S-Dimethylacetylphosphoroamidothioate O,S-dimethyl acetylamidothiophosphate CHEBI:34520 acephate Beilstein:1936365 Beilstein CAS:30560-19-1 ChemIDplus CAS:30560-19-1 KEGG COMPOUND CAS:30560-19-1 NIST Chemistry WebBook PMID:16526463 Europe PMC PMID:24001830 Europe PMC PMID:24138465 Europe PMC Reaxys:1936365 Reaxys Acephate KEGG_COMPOUND O,S-dimethyl acetylphosphoroamidothioate IUPAC Acetamidophos ChemIDplus Acetylphosphoramidothioic acid O,S-dimethyl ester ChemIDplus N-(Methoxy(methylthio)phosphinoyl)acetamide ChemIDplus O,S-Dimethylacetylphosphoroamidothioate KEGG_COMPOUND O,S-dimethyl acetylamidothiophosphate IUPAC 0 C11H13NO4 InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13) XEGGRYVFLWGFHI-UHFFFAOYSA-N 223.22526 223.08446 CNC(=O)Oc1cccc2OC(C)(C)Oc12 Beilstein:1315404 CAS:22781-23-3 KEGG:C14433 PPDB:61 VSDB:61 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate Bendiocarb chebi_ontology 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate 2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole 2,3-Isopropylidenedioxyphenyl methylcarbamate CHEBI:34556 bendiocarb Beilstein:1315404 Beilstein CAS:22781-23-3 ChemIDplus CAS:22781-23-3 KEGG COMPOUND 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate IUPAC Bendiocarb KEGG_COMPOUND 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate KEGG_COMPOUND 2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole ChEBI 2,3-Isopropylidenedioxyphenyl methylcarbamate NIST_Chemistry_WebBook 0 C19H26O3 InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3 ZCVAOQKBXKSDMS-UHFFFAOYSA-N 302.40794 302.18819 CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Beilstein:2294836 CAS:584-79-2 KEGG:C14337 KEGG:D07530 PPDB:22 VSDB:22 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Allethrin chebi_ontology 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester 3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate 3-allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate Bioallethrin Pynamin CHEBI:34572 allethrin Beilstein:2294836 Beilstein CAS:584-79-2 ChemIDplus CAS:584-79-2 KEGG COMPOUND CAS:584-79-2 NIST Chemistry WebBook 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC Allethrin KEGG_COMPOUND 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester ChemIDplus 3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate ChemIDplus 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC 3-allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate NIST_Chemistry_WebBook Bioallethrin KEGG_COMPOUND Pynamin KEGG_COMPOUND 0 C4H8Cl2O InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2 ZNSMNVMLTJELDZ-UHFFFAOYSA-N 143.012 141.99522 ClCCOCCCl CAS:111-44-4 KEGG:C14688 PPDB:2714 Bis(2-chloroethyl)ether chebi_ontology 1,5-Dichloro-3-oxapentane 2,2'-Dichlorethyl ether CHEBI:34573 Bis(2-chloroethyl)ether CAS:111-44-4 KEGG COMPOUND Bis(2-chloroethyl)ether KEGG_COMPOUND 1,5-Dichloro-3-oxapentane KEGG_COMPOUND 2,2'-Dichlorethyl ether KEGG_COMPOUND A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. 0 CHBrCl2 InChI=1S/CHBrCl2/c2-1(3)4/h1H FMWLUWPQPKEARP-UHFFFAOYSA-N 163.82804 161.86387 [H]C(Cl)(Cl)Br Beilstein:1697005 CAS:75-27-4 Gmelin:25941 KEGG:C14708 PMID:23446885 PMID:24001804 PMID:24647036 Reaxys:1697005 Wikipedia:Bromodichloromethane Bromodichloromethane bromo(dichloro)methane chebi_ontology CHBrCl2 dichlorobromomethane dichloromonobromomethane monobromodichloromethane CHEBI:34591 bromodichloromethane Beilstein:1697005 ChemIDplus CAS:75-27-4 ChemIDplus CAS:75-27-4 KEGG COMPOUND CAS:75-27-4 NIST Chemistry WebBook Gmelin:25941 Gmelin PMID:23446885 Europe PMC PMID:24001804 Europe PMC PMID:24647036 Europe PMC Reaxys:1697005 Reaxys Bromodichloromethane KEGG_COMPOUND bromo(dichloro)methane IUPAC CHBrCl2 IUPAC dichlorobromomethane NIST_Chemistry_WebBook dichloromonobromomethane NIST_Chemistry_WebBook monobromodichloromethane ChemIDplus A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. 0 C9H8Cl3NO2S InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2 LDVVMCZRFWMZSG-UHFFFAOYSA-N 300.58900 298.93413 ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O CAS:133-06-2 KEGG:C14438 PMID:20433167 PMID:20569196 PMID:21121628 PMID:21381057 PMID:21381058 PMID:23692481 PMID:23742211 PMID:6578186 PMID:9530801 PPDB:114 Patent:US2553771 Patent:US2653155 Patent:US2713058 Pesticides:captan Wikipedia:Captan 2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chebi_ontology 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide 3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione 3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide Amercide Bangton Captab Captadin Captaf Captanex Captex ENT 26,538 Hexacap Kaptan Malipur Merpan N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide N-[(trichloromethyl)thio]tetrahydrophthalimide N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide Neracid Orthocide Osocide SR 406 SR406 Vanicide Venturin Vondcaptan Zenecal captane CHEBI:34608 captan CAS:133-06-2 ChemIDplus CAS:133-06-2 KEGG COMPOUND CAS:133-06-2 NIST Chemistry WebBook PMID:20433167 Europe PMC PMID:20569196 Europe PMC PMID:21121628 Europe PMC PMID:21381057 Europe PMC PMID:21381058 Europe PMC PMID:23692481 Europe PMC PMID:23742211 Europe PMC PMID:6578186 Europe PMC PMID:9530801 Europe PMC Pesticides:captan Alan Wood's Pesticides 2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione IUPAC 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide ChemIDplus 3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione ChemIDplus 3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide ChemIDplus Amercide ChemIDplus Bangton ChemIDplus Captab ChemIDplus Captadin ChemIDplus Captaf ChemIDplus Captanex ChemIDplus Captex ChemIDplus ENT 26,538 ChemIDplus Hexacap ChemIDplus Kaptan ChemIDplus Malipur ChemIDplus Merpan ChemIDplus N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide ChemIDplus N-[(trichloromethyl)thio]tetrahydrophthalimide ChemIDplus N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide ChemIDplus N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide ChemIDplus N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide ChemIDplus Neracid ChemIDplus Orthocide ChemIDplus Osocide ChemIDplus SR 406 ChemIDplus SR406 ChemIDplus Vanicide ChemIDplus Venturin NIST_Chemistry_WebBook Vondcaptan NIST_Chemistry_WebBook Zenecal NIST_Chemistry_WebBook captane ChemIDplus 0 C12H15NO3 InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N 221.25244 221.10519 CNC(=O)Oc1cccc2CC(C)(C)Oc12 Beilstein:1428746 Beilstein:8312603 CAS:1563-66-2 KEGG:C14291 LINCS:LSM-3186 PPDB:118 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate Carbofuran carbofuran chebi_ontology 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate Furadan CHEBI:34611 carbofuran Beilstein:1428746 Beilstein Beilstein:8312603 Beilstein CAS:1563-66-2 ChemIDplus CAS:1563-66-2 KEGG COMPOUND CAS:1563-66-2 NIST Chemistry WebBook 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate IUPAC Carbofuran KEGG_COMPOUND carbofuran UniProt 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate KEGG_COMPOUND 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate ChemIDplus Furadan ChemIDplus A dithioloquinoxaline that results from the formal condensation of 6-methylquinoxaline-2,3-dithiol with phosgene. It has been used as a fungicide and acaricide for the control of mites and powdery mildew on citrus, vegetables, and walnuts, but is not approved for use in the EU. 0 C10H6N2OS2 InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3 FBQQHUGEACOBDN-UHFFFAOYSA-N 234.29952 233.99216 Cc1ccc2nc3sc(=O)sc3nc2c1 AGR:IND84001481 AGR:IND84001482 Beilstein:526833 CAS:2439-01-2 KEGG:C14514 PMID:1009998 PMID:14505671 PMID:6658821 PPDB:127 Pesticides:chinomethionat Reaxys:526833 6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one Quinomethionate chebi_ontology 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate 6-methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate Chinomethionat Morestan S,S-(6-methylquinoxaline-2,3-diyl) dithiocarbonate chinomethionate oxythioquinox CHEBI:34620 quinomethionate AGR:IND84001481 Europe PMC AGR:IND84001482 Europe PMC Beilstein:526833 Beilstein CAS:2439-01-2 ChemIDplus CAS:2439-01-2 KEGG COMPOUND CAS:2439-01-2 NIST Chemistry WebBook PMID:1009998 Europe PMC PMID:14505671 Europe PMC PMID:6658821 Europe PMC Pesticides:chinomethionat Alan Wood's Pesticides Reaxys:526833 Reaxys 6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one IUPAC Quinomethionate KEGG_COMPOUND 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate KEGG_COMPOUND 6-methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate NIST_Chemistry_WebBook Chinomethionat KEGG_COMPOUND Morestan ChEBI S,S-(6-methylquinoxaline-2,3-diyl) dithiocarbonate ChemIDplus chinomethionate NIST_Chemistry_WebBook oxythioquinox ChemIDplus 0 C10H6Cl8 InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2 BIWJNBZANLAXMG-UHFFFAOYSA-N 409.77624 405.79777 ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Beilstein:1915474 CAS:57-74-9 KEGG:C14176 PPDB:134 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene Chlordane chebi_ontology 1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane 1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene Chlorindan CHEBI:34623 chlordane Beilstein:1915474 Beilstein CAS:57-74-9 ChemIDplus CAS:57-74-9 KEGG COMPOUND CAS:57-74-9 NIST Chemistry WebBook 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene IUPAC Chlordane KEGG_COMPOUND 1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane KEGG_COMPOUND 1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene ChemIDplus 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan ChemIDplus 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene IUPAC Chlorindan ChemIDplus 0 C2H2Cl2O InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2 VGCXGMAHQTYDJK-UHFFFAOYSA-N 112.943 111.94827 ClCC(Cl)=O CAS:79-04-9 HMDB:HMDB0060452 KEGG:C14859 Chloroacetyl chloride chebi_ontology CHEBI:34624 Chloroacetyl chloride CAS:79-04-9 KEGG COMPOUND Chloroacetyl chloride KEGG_COMPOUND 0 C16H14Cl2O3 InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3 RAPBNVDSDCTNRC-UHFFFAOYSA-N 325.187 324.03200 CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 CAS:510-15-6 KEGG:C14574 PPDB:144 Chlorobenzilate chebi_ontology Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate Ethyl-4,4'-dichlorobenzilate CHEBI:34626 Chlorobenzilate CAS:510-15-6 KEGG COMPOUND Chlorobenzilate KEGG_COMPOUND Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate KEGG_COMPOUND Ethyl-4,4'-dichlorobenzilate KEGG_COMPOUND An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. 0 C9H11Cl3NO3PS InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 SBPBAQFWLVIOKP-UHFFFAOYSA-N 350.58644 348.92628 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl Beilstein:1545756 CAS:2921-88-2 HMDB:HMDB0041856 KEGG:C14322 KEGG:D07688 PMID:11882345 PMID:18166376 PMID:31152760 PPDB:154 Pesticides:chlorpyrifos Reaxys:1545756 Wikipedia:Chlorpyrifos Chlorpyrifos O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate chlorpyrifos chebi_ontology Bolton Brodan Chlorpyrifos-ethyl Chlorpyriphos Cobalt Detmol Dowco 179 Dursban Empire Equity Eradex Lentrek Lock-On Lorsban Nufos O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester Piridane Stipend Tricel Trichlorpyrphos Warhawk chlorpyrifos ethyl m-Chlorpyrifos o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate CHEBI:34631 chlorpyrifos Beilstein:1545756 Beilstein CAS:2921-88-2 ChemIDplus CAS:2921-88-2 KEGG COMPOUND CAS:2921-88-2 NIST Chemistry WebBook PMID:11882345 Europe PMC PMID:18166376 Europe PMC PMID:31152760 Europe PMC Pesticides:chlorpyrifos Alan Wood's Pesticides Reaxys:1545756 Reaxys Chlorpyrifos KEGG_COMPOUND O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate IUPAC chlorpyrifos UniProt Bolton ChEBI Brodan ChemIDplus Chlorpyrifos-ethyl ChemIDplus Chlorpyriphos KEGG_COMPOUND Cobalt ChEBI Detmol ChemIDplus Dowco 179 ChEBI Dursban ChemIDplus Empire ChEBI Equity ChEBI Eradex ChEBI Lentrek ChemIDplus Lock-On ChemIDplus Lorsban ChemIDplus Nufos ChEBI O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate IUPAC Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester ChemIDplus Piridane ChemIDplus Stipend ChemIDplus Tricel ChEBI Trichlorpyrphos ChemIDplus Warhawk ChEBI chlorpyrifos ethyl ChemIDplus m-Chlorpyrifos NIST_Chemistry_WebBook o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate NIST_Chemistry_WebBook An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. 0 C7H7Cl3NO3PS InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3 HRBKVYFZANMGRE-UHFFFAOYSA-N 322.53328 320.89498 COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl Beilstein:1541078 CAS:5598-13-0 KEGG:C14520 PPDB:155 Pesticides:chlorpyrifos-methyl Reaxys:1541078 Chlorpyrifos-methyl O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate chebi_ontology Chloropyriphos-methyl Chlorpyrifos O,O-dimethyl analog Methyl chlorpyrifos Methyl chlorpyriphos O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester Trichlormethylfos o,o-Dimethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate CHEBI:34632 chlorpyrifos-methyl Beilstein:1541078 Beilstein CAS:5598-13-0 ChemIDplus CAS:5598-13-0 KEGG COMPOUND CAS:5598-13-0 NIST Chemistry WebBook Pesticides:chlorpyrifos-methyl Alan Wood's Pesticides Reaxys:1541078 Reaxys Chlorpyrifos-methyl KEGG_COMPOUND O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate IUPAC Chloropyriphos-methyl KEGG_COMPOUND Chlorpyrifos O,O-dimethyl analog ChemIDplus Methyl chlorpyrifos ChemIDplus Methyl chlorpyriphos ChemIDplus O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate ChemIDplus O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate IUPAC Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester ChemIDplus Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester ChemIDplus Trichlormethylfos ChemIDplus o,o-Dimethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate NIST_Chemistry_WebBook An alkylbenzene that is benzene carrying an isopropyl group. 0 C9H12 InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 RWGFKTVRMDUZSP-UHFFFAOYSA-N 120.19158 120.09390 CC(C)c1ccccc1 Beilstein:1236613 CAS:98-82-8 HMDB:HMDB0034029 KEGG:C14396 MetaCyc:CPD0-2360 PMID:19340095 PMID:24441387 Patent:KR20140001929 Reaxys:1236613 Wikipedia:Cumene (propan-2-yl)benzene Cumene chebi_ontology (1-Methylethyl)benzene 2-Phenylpropane Isopropylbenzene CHEBI:34656 cumene Beilstein:1236613 Beilstein CAS:98-82-8 ChemIDplus CAS:98-82-8 KEGG COMPOUND PMID:19340095 Europe PMC PMID:24441387 Europe PMC Reaxys:1236613 Reaxys (propan-2-yl)benzene IUPAC Cumene KEGG_COMPOUND (1-Methylethyl)benzene ChemIDplus 2-Phenylpropane ChemIDplus Isopropylbenzene KEGG_COMPOUND A polychlorobiphenyl that is biphenyl in which all of the hydrogens are replaced by chlorines. 0 C12Cl10 InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16 ONXPZLFXDMAPRO-UHFFFAOYSA-N 498.65540 493.68853 Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl Beilstein:2065289 CAS:2051-24-3 Gmelin:1481615 KEGG:C14368 Decachlorobiphenyl decachloro-1,1'-biphenyl chebi_ontology 2,2',3,3',4,4',5,5',6,6'-decachloro-1,1'-biphenyl 2,2',3,3',4,4',5,5',6,6'-decachlorobiphenyl PCB 209 perchlorobiphenyl CHEBI:34666 decachlorobiphenyl Beilstein:2065289 Beilstein CAS:2051-24-3 ChemIDplus CAS:2051-24-3 KEGG COMPOUND CAS:2051-24-3 NIST Chemistry WebBook Gmelin:1481615 Gmelin Decachlorobiphenyl KEGG_COMPOUND decachloro-1,1'-biphenyl IUPAC 2,2',3,3',4,4',5,5',6,6'-decachloro-1,1'-biphenyl NIST_Chemistry_WebBook 2,2',3,3',4,4',5,5',6,6'-decachlorobiphenyl NIST_Chemistry_WebBook PCB 209 ChemIDplus PCB 209 KEGG_COMPOUND perchlorobiphenyl NIST_Chemistry_WebBook A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. 0 C12H21N2O3PS InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N 304.34658 304.10105 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C Beilstein:273790 CAS:333-41-5 HMDB:HMDB0032943 KEGG:C14324 KEGG:D07856 MetaCyc:CPD-8965 PMID:14536034 PMID:18819606 PPDB:212 Pesticides:diazinon Reaxys:273790 VSDB:212 Wikipedia:Diazinon Diazinon O,O-diethyl O-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] phosphorothioate chebi_ontology Dimpylate O,O-Diethyl 2-isopropyl-4-methylpyrimidyl-6-thiophosphate O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate O,O-diethyl O-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester CHEBI:34682 diazinon Beilstein:273790 Beilstein CAS:333-41-5 ChemIDplus CAS:333-41-5 KEGG COMPOUND CAS:333-41-5 NIST Chemistry WebBook PMID:14536034 Europe PMC PMID:18819606 Europe PMC Pesticides:diazinon Alan Wood's Pesticides Reaxys:273790 Reaxys Diazinon KEGG_COMPOUND O,O-diethyl O-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] phosphorothioate IUPAC Dimpylate NIST_Chemistry_WebBook O,O-Diethyl 2-isopropyl-4-methylpyrimidyl-6-thiophosphate ChemIDplus O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate ChemIDplus O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate ChemIDplus O,O-diethyl O-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate IUPAC Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester ChemIDplus A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. 0 C16H22O4 InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 DOIRQSBPFJWKBE-UHFFFAOYSA-N 278.34350 278.15181 CCCCOC(=O)c1ccccc1C(=O)OCCCC CHEBI:535597 Beilstein:1914064 CAS:84-74-2 Drug_Central:4414 Gmelin:262569 HMDB:HMDB0033244 KEGG:C14214 PMID:11133400 PMID:16232742 PMID:19840837 PMID:24213843 PMID:24468924 PMID:24616073 PMID:26730679 PMID:27655612 PMID:28102498 PMID:28363850 PMID:28486587 PMID:28566680 PMID:28580302 PMID:28753974 PMID:28822891 PMID:28823096 PPDB:2924 Reaxys:1914064 Wikipedia:Dibutyl_phthalate Dibutyl phthalate dibutyl benzene-1,2-dicarboxylate chebi_ontology 1,2-Benzenedicarboxylic acid dibutyl ester Benzene-o-dicarboxylic acid di-n-butyl ester Benzenedicarboxylic acid dibutyl ester Butyl phthalate DBP Di-n-butyl phthalate Dibutyl 1,2-benzenedicarboxylate Dibutyl o-phthalate Dibutyl-o-phthalate Phthalic acid di-n-butyl ester Phthalic acid dibutyl ester n-Butyl phthalate o-Benzenedicarboxylic acid dibutyl ester CHEBI:34687 dibutyl phthalate Beilstein:1914064 Beilstein CAS:84-74-2 ChemIDplus CAS:84-74-2 KEGG COMPOUND CAS:84-74-2 NIST Chemistry WebBook Drug_Central:4414 DrugCentral Gmelin:262569 Gmelin PMID:11133400 Europe PMC PMID:16232742 Europe PMC PMID:19840837 Europe PMC PMID:24213843 Europe PMC PMID:24468924 Europe PMC PMID:24616073 Europe PMC PMID:26730679 Europe PMC PMID:27655612 Europe PMC PMID:28102498 Europe PMC PMID:28363850 Europe PMC PMID:28486587 Europe PMC PMID:28566680 Europe PMC PMID:28580302 Europe PMC PMID:28753974 Europe PMC PMID:28822891 Europe PMC PMID:28823096 Europe PMC Reaxys:1914064 Reaxys Dibutyl phthalate KEGG_COMPOUND dibutyl benzene-1,2-dicarboxylate IUPAC 1,2-Benzenedicarboxylic acid dibutyl ester ChemIDplus Benzene-o-dicarboxylic acid di-n-butyl ester ChemIDplus Benzene-o-dicarboxylic acid di-n-butyl ester NIST_Chemistry_WebBook Benzenedicarboxylic acid dibutyl ester NIST_Chemistry_WebBook Butyl phthalate ChemIDplus DBP ChEBI Di-n-butyl phthalate KEGG_COMPOUND Dibutyl 1,2-benzenedicarboxylate KEGG_COMPOUND Dibutyl o-phthalate NIST_Chemistry_WebBook Dibutyl-o-phthalate ChemIDplus Phthalic acid di-n-butyl ester NIST_Chemistry_WebBook Phthalic acid dibutyl ester NIST_Chemistry_WebBook n-Butyl phthalate ChemIDplus o-Benzenedicarboxylic acid dibutyl ester ChemIDplus o-Benzenedicarboxylic acid dibutyl ester NIST_Chemistry_WebBook An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. 0 C4H7Cl2O4P InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3 OEBRKCOSUFCWJD-UHFFFAOYSA-N 220.97514 219.94590 COP(=O)(OC)OC=C(Cl)Cl Beilstein:1709141 CAS:62-73-7 HMDB:HMDB0033956 KEGG:C14430 KEGG:D03791 MetaCyc:CPD-10185 PMID:24021659 PMID:24231740 PMID:24374570 PPDB:220 Reaxys:1709141 Wikipedia:Dichlorvos 2,2-dichloroethenyl dimethyl phosphate Dichlorvos chebi_ontology 2,2-Dichloroethenyl dimethyl phosphate DDVP Dimethyl 2,2-dichlorovinyl phosphate Dimethyl-2,2-dichlorovinyl phosphate Phosphoric acid, 2,2-dichloroethenyl dimethyl ester Phosphoric acid, 2,2-dichlorovinyl dimethyl ester CHEBI:34690 dichlorvos Beilstein:1709141 Beilstein CAS:62-73-7 ChemIDplus CAS:62-73-7 KEGG COMPOUND CAS:62-73-7 NIST Chemistry WebBook PMID:24021659 Europe PMC PMID:24231740 Europe PMC PMID:24374570 Europe PMC Reaxys:1709141 Reaxys 2,2-dichloroethenyl dimethyl phosphate IUPAC Dichlorvos KEGG_COMPOUND 2,2-Dichloroethenyl dimethyl phosphate KEGG_COMPOUND DDVP ChemIDplus DDVP KEGG_COMPOUND Dimethyl 2,2-dichlorovinyl phosphate ChemIDplus Dimethyl-2,2-dichlorovinyl phosphate NIST_Chemistry_WebBook Phosphoric acid, 2,2-dichloroethenyl dimethyl ester ChemIDplus Phosphoric acid, 2,2-dichlorovinyl dimethyl ester ChemIDplus A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group. 0 C14H9Cl5O InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H UOAMTSKGCBMZTC-UHFFFAOYSA-N 370.48416 367.90960 OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Beilstein:1886299 CAS:115-32-2 KEGG:C14301 PPDB:223 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol Dicofol chebi_ontology 1,1-bis(4-chlorophenyl)-2,2,2-trichloroethanol 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol 2,2,2-trichloro-1,1-bis(p-chlorophenyl)ethanol 4,4'-dichloro-alpha-(trichloromethyl)benzhydrol 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol Acarin DTMC Kelthane Mitigan di-(p-chlorophenyl)trichloromethylcarbinol p,p-dicofol CHEBI:34692 dicofol Beilstein:1886299 ChemIDplus CAS:115-32-2 ChemIDplus CAS:115-32-2 KEGG COMPOUND CAS:115-32-2 NIST Chemistry WebBook 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol IUPAC Dicofol KEGG_COMPOUND 1,1-bis(4-chlorophenyl)-2,2,2-trichloroethanol ChemIDplus 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol ChemIDplus 2,2,2-trichloro-1,1-bis(p-chlorophenyl)ethanol ChemIDplus 4,4'-dichloro-alpha-(trichloromethyl)benzhydrol NIST_Chemistry_WebBook 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol NIST_Chemistry_WebBook Acarin ChemIDplus DTMC NIST_Chemistry_WebBook Kelthane KEGG_COMPOUND Mitigan ChemIDplus di-(p-chlorophenyl)trichloromethylcarbinol ChemIDplus p,p-dicofol NIST_Chemistry_WebBook 0 C10H12 InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2 HECLRDQVFMWTQS-UHFFFAOYSA-N 132.203 132.09390 C1C=CC2C3CC(C=C3)C12 CAS:77-73-6 KEGG:C14411 PPDB:225 Dicyclopentadiene chebi_ontology CHEBI:34695 Dicyclopentadiene CAS:77-73-6 KEGG COMPOUND Dicyclopentadiene KEGG_COMPOUND An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin. 0 C12H8Cl6O InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11- DFBKLUNHFCTMDC-PICURKEMSA-N 380.90752 377.87063 [H][C@]12[C@H]3C[C@H]([C@@H]4O[C@H]34)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl CAS:60-57-1 KEGG:C13718 PMID:17848404 PMID:17999924 PMID:18497062 PMID:20602524 PMID:21724225 PMID:22281775 PMID:23001942 PMID:23726008 PMID:23763672 PMID:8597127 PPDB:226 Pesticides:dieldrin Reaxys:91396 Wikipedia:Dieldrin Dieldrin rel-(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridec-4-ene chebi_ontology (1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-exo-5,8-dimethanonaphthalene 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)- HEOD CHEBI:34696 dieldrin CAS:60-57-1 ChemIDplus CAS:60-57-1 KEGG COMPOUND CAS:60-57-1 NIST Chemistry WebBook PMID:17848404 Europe PMC PMID:17999924 Europe PMC PMID:18497062 Europe PMC PMID:20602524 Europe PMC PMID:21724225 Europe PMC PMID:22281775 Europe PMC PMID:23001942 Europe PMC PMID:23726008 Europe PMC PMID:23763672 Europe PMC PMID:8597127 Europe PMC Pesticides:dieldrin Alan Wood's Pesticides Reaxys:91396 Reaxys Dieldrin KEGG_COMPOUND rel-(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridec-4-ene IUPAC (1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene ChemIDplus (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene ChEBI 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-exo-5,8-dimethanonaphthalene NIST_Chemistry_WebBook 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)- NIST_Chemistry_WebBook HEOD ChEBI The diethyl ester of benzene-1,2-dicarboxylic acid. 0 C12H14O4 InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 FLKPEMZONWLCSK-UHFFFAOYSA-N 222.23716 222.08921 CCOC(=O)c1ccccc1C(=O)OCC Beilstein:1912500 CAS:84-66-2 Gmelin:261704 KEGG:C14175 KEGG:D03804 PMID:16784196 PMID:19840837 PMID:23880707 PMID:24418706 PMID:26004250 PMID:26730679 PMID:27639077 PMID:28577407 PMID:28580013 Reaxys:1912500 Wikipedia:Diethyl_phthalate Diethyl phthalate diethyl benzene-1,2-dicarboxylate chebi_ontology 1,2-Benzenedicarboxylic acid diethyl ester 1,2-Diethyl phthalate DEP Diethyl 1,2-benzenedicarboxylate Diethyl o-phthalate Ethyl phthalate Phthalic acid diethyl ester Phthalsaeurediaethylester diethyl benzene-1,2-dicarboxylate o-Benzenedicarboxylic acid diethyl ester o-Bis(ethoxycarbonyl)benzene CHEBI:34698 diethyl phthalate Beilstein:1912500 Beilstein CAS:84-66-2 ChemIDplus CAS:84-66-2 KEGG COMPOUND CAS:84-66-2 NIST Chemistry WebBook Gmelin:261704 Gmelin PMID:16784196 Europe PMC PMID:19840837 Europe PMC PMID:23880707 Europe PMC PMID:24418706 Europe PMC PMID:26004250 Europe PMC PMID:26730679 Europe PMC PMID:27639077 Europe PMC PMID:28577407 Europe PMC PMID:28580013 Europe PMC Reaxys:1912500 Reaxys Diethyl phthalate KEGG_COMPOUND diethyl benzene-1,2-dicarboxylate IUPAC 1,2-Benzenedicarboxylic acid diethyl ester ChemIDplus 1,2-Diethyl phthalate NIST_Chemistry_WebBook DEP ChEBI Diethyl 1,2-benzenedicarboxylate KEGG_COMPOUND Diethyl o-phthalate ChemIDplus Ethyl phthalate ChemIDplus Phthalic acid diethyl ester ChemIDplus Phthalsaeurediaethylester ChemIDplus diethyl benzene-1,2-dicarboxylate ChEBI o-Benzenedicarboxylic acid diethyl ester ChemIDplus o-Benzenedicarboxylic acid diethyl ester NIST_Chemistry_WebBook o-Bis(ethoxycarbonyl)benzene ChemIDplus The diethyl ester of sulfuric acid. 0 C4H10O4S InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3 DENRZWYUOJLTMF-UHFFFAOYSA-N 154.180 154.02998 CCOS(=O)(=O)OCC CAS:64-67-5 CBA:310330 CBA:374048 CBA:593867 Chemspider:5931 HMDB:HMDB0251240 KEGG:C14706 PMID:15323041 PMID:17619463 PMID:20566339 PMID:21089860 PMID:21852824 PMID:23830811 PMID:24681631 PMID:24686557 PMID:25484124 PMID:26591512 PMID:2797029 PMID:2927429 PMID:29397772 PMID:29615826 PMID:30417660 PMID:3312952 Wikipedia:Diethyl_sulfate chebi_ontology DES Diaethylsulfat Et2SO4 diethyl sulphate diethyl tetraoxosulfate diethylsulfate ethyl sulfate sulfuric acid diethyl ester sulphuric acid diethyl ester CHEBI:34699 diethyl sulfate CAS:64-67-5 ChemIDplus CAS:64-67-5 NIST Chemistry WebBook CBA:310330 Europe PMC CBA:374048 Europe PMC CBA:593867 Europe PMC PMID:15323041 Europe PMC PMID:17619463 Europe PMC PMID:20566339 Europe PMC PMID:21089860 Europe PMC PMID:21852824 Europe PMC PMID:23830811 Europe PMC PMID:24681631 Europe PMC PMID:24686557 Europe PMC PMID:25484124 Europe PMC PMID:26591512 Europe PMC PMID:2797029 Europe PMC PMID:2927429 Europe PMC PMID:29397772 Europe PMC PMID:29615826 Europe PMC PMID:30417660 Europe PMC PMID:3312952 Europe PMC DES KEGG_COMPOUND Diaethylsulfat ChemIDplus Et2SO4 ChEBI diethyl sulphate ChemIDplus diethyl tetraoxosulfate ChemIDplus diethylsulfate ChemIDplus ethyl sulfate ChEBI sulfuric acid diethyl ester ChemIDplus sulphuric acid diethyl ester NIST_Chemistry_WebBook A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group. 0 C14H9ClF2N2O2 InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21) QQQYTWIFVNKMRW-UHFFFAOYSA-N 310.68305 310.03206 Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 Beilstein:2162461 CAS:35367-38-5 HMDB:HMDB0031778 KEGG:C14427 KEGG:D07829 PMID:19835689 PMID:20954045 PMID:22782793 PMID:8510122 PPDB:234 Wikipedia:Diflubenzuron Diflubenzuron N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide chebi_ontology 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea 1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide difluron CHEBI:34703 diflubenzuron Beilstein:2162461 ChemIDplus CAS:35367-38-5 ChemIDplus CAS:35367-38-5 KEGG COMPOUND CAS:35367-38-5 NIST Chemistry WebBook PMID:19835689 Europe PMC PMID:20954045 Europe PMC PMID:22782793 Europe PMC PMID:8510122 Europe PMC Diflubenzuron KEGG_COMPOUND N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide IUPAC 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea ChemIDplus 1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea ChemIDplus N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide KEGG_COMPOUND N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide ChEBI difluron NIST_Chemistry_WebBook A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. 0 C5H12NO3PS2 InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N 229.25948 228.99962 CNC(=O)CSP(=S)(OC)OC CAS:60-51-5 KEGG:C14326 LINCS:LSM-24992 PMID:11054639 PMID:15803959 PPDB:244 Pesticides:dimethoate Reaxys:1785339 Wikipedia:Dimethoate Dimethoate O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate chebi_ontology 2-Dimethoxyphosphinothioylthio-N-methylacetamide O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate Phosphamide Phosphorodithioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester CHEBI:34714 dimethoate CAS:60-51-5 ChemIDplus CAS:60-51-5 KEGG COMPOUND CAS:60-51-5 NIST Chemistry WebBook PMID:11054639 Europe PMC PMID:15803959 Europe PMC Pesticides:dimethoate Alan Wood's Pesticides Reaxys:1785339 Reaxys Dimethoate KEGG_COMPOUND O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate IUPAC 2-Dimethoxyphosphinothioylthio-N-methylacetamide ChemIDplus O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate IUPAC Phosphamide ChemIDplus Phosphorodithioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester ChemIDplus A racemate composed of equimolar amounts of (R)- and (S)-dinoseb. 0 C10H12N2O5 240.213 240.07462 CAS:88-85-7 HMDB:HMDB0032559 KEGG:C14302 PMID:22536127 PMID:23470868 PMID:24034831 Pesticides:dinoseb Reaxys:2058234 Wikipedia:Dinoseb rac-2-(butan-2-yl)-4,6-dinitrophenol chebi_ontology (+-)-2-(1-Methylpropyl)-4,6-dinitrophenol (RS)-2-sec-butyl-4,6-dinitrophenol 2,4-Dinitro-6-(1-methylpropyl)phenol 4,6-dinitro-o-sec-butylphenol CHEBI:34719 dinoseb CAS:88-85-7 ChemIDplus CAS:88-85-7 KEGG COMPOUND PMID:22536127 Europe PMC PMID:23470868 Europe PMC PMID:24034831 Europe PMC Pesticides:dinoseb Alan Wood's Pesticides Reaxys:2058234 Reaxys rac-2-(butan-2-yl)-4,6-dinitrophenol IUPAC (+-)-2-(1-Methylpropyl)-4,6-dinitrophenol HMDB (RS)-2-sec-butyl-4,6-dinitrophenol Alan_Wood's_Pesticides 2,4-Dinitro-6-(1-methylpropyl)phenol KEGG_COMPOUND 4,6-dinitro-o-sec-butylphenol NIST_Chemistry_WebBook 0 C14H14NO4PS InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 AIGRXSNSLVJMEA-UHFFFAOYSA-N 323.30400 323.03812 CCOP(=S)(Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1 Beilstein:2542580 CAS:2104-64-5 KEGG:C14434 PPDB:1186 EPN O-ethyl O-(4-nitrophenyl) phenylphosphonothioate chebi_ontology O-ethyl O-(4-nitrophenyl)phenylphosphonothioate O-ethyl O-(p-nitrophenyl) phenylphosphonothioate O-ethyl O-p-nitrophenyl phenylphosphonothioate O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester ethyl p-nitrophenyl benzenethionophosphonate CHEBI:34733 EPN Beilstein:2542580 Beilstein CAS:2104-64-5 ChemIDplus CAS:2104-64-5 KEGG COMPOUND CAS:2104-64-5 NIST Chemistry WebBook EPN KEGG_COMPOUND O-ethyl O-(4-nitrophenyl) phenylphosphonothioate IUPAC O-ethyl O-(4-nitrophenyl)phenylphosphonothioate NIST_Chemistry_WebBook O-ethyl O-(p-nitrophenyl) phenylphosphonothioate ChemIDplus O-ethyl O-p-nitrophenyl phenylphosphonothioate KEGG_COMPOUND O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester ChemIDplus ethyl p-nitrophenyl benzenethionophosphonate ChemIDplus A dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension. +2 C15H32N2 InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2 XSBSKEQEUFOSDD-UHFFFAOYSA-N 240.42800 240.25545 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 Beilstein:3905671 CAS:144-44-5 DrugBank:DB01090 Drug_Central:2096 LINCS:LSM-5561 Wikipedia:Pentolinium 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) chebi_ontology Pentolonium Pentolonum pentolineum CHEBI:347401 pentolinium ion Beilstein:3905671 Beilstein CAS:144-44-5 ChemIDplus Drug_Central:2096 DrugCentral 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) IUPAC Pentolonium ChemIDplus Pentolonum ChemIDplus pentolineum ChEBI 0 C15H14O3 InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1 ADFCQWZHKCXPAJ-GFCCVEGCSA-N 242.26990 242.09429 Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 CAS:531-95-3 HMDB:HMDB0002209 KEGG:C14131 KNApSAcK:C00009707 LIPID_MAPS_instance:LMPK12080003 PMID:11410004 PMID:17449595 PMID:17579894 PMID:17579895 Wikipedia:Equol (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol Equol chebi_ontology (-)-(S)-Equol (-)-Equol (S)-(-)-4',7-Isoflavandiol (S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol (S)-Equol 4',7-Dihydroxyisoflavan 4',7-Isoflavandiol CHEBI:34741 equol equol 0 C3H6N2S InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6) PDQAZBWRQCGBEV-UHFFFAOYSA-N 102.159 102.02517 S=C1NCCN1 CAS:96-45-7 KEGG:C14398 Ethylenethiourea chebi_ontology 2-Mercaptoimidazoline CHEBI:34750 Ethylenethiourea CAS:96-45-7 KEGG COMPOUND Ethylenethiourea KEGG_COMPOUND 2-Mercaptoimidazoline KEGG_COMPOUND 0 C11H17O4PS2 InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3 XDNBJTQLKCIJBV-UHFFFAOYSA-N 308.35604 308.03059 CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O Beilstein:2219515 CAS:115-90-2 KEGG:C14510 PPDB:1292 Fensulfothion O,O-diethyl O-[4-(methanesulfinyl)phenyl] phosphorothioate chebi_ontology Dasanit O,O-Diethyl O-(p-(methylsulfinyl)phenyl) phosphorothioate O,O-Diethyl O-4-methylsulphinylphenyl phosphorothioate O,O-Diethyl O-p-(methylsulfinyl)phenyl thiophosphate O,O-diethyl O-[4-(methylsulfinyl)phenyl] thiophosphate Phosphorothioic acid, O,O-diethyl O-(4-(methylsulfinyl)phenyl) ester CHEBI:34760 fensulfothion Beilstein:2219515 Beilstein CAS:115-90-2 ChemIDplus CAS:115-90-2 KEGG COMPOUND CAS:115-90-2 NIST Chemistry WebBook Fensulfothion KEGG_COMPOUND O,O-diethyl O-[4-(methanesulfinyl)phenyl] phosphorothioate IUPAC Dasanit ChemIDplus O,O-Diethyl O-(p-(methylsulfinyl)phenyl) phosphorothioate ChemIDplus O,O-Diethyl O-4-methylsulphinylphenyl phosphorothioate ChemIDplus O,O-Diethyl O-p-(methylsulfinyl)phenyl thiophosphate ChemIDplus O,O-diethyl O-[4-(methylsulfinyl)phenyl] thiophosphate IUPAC Phosphorothioic acid, O,O-diethyl O-(4-(methylsulfinyl)phenyl) ester ChemIDplus An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities. 0 C10H15O3PS2 InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 PNVJTZOFSHSLTO-UHFFFAOYSA-N 278.33006 278.02002 COP(=S)(OC)Oc1ccc(SC)c(C)c1 Beilstein:1974129 CAS:55-38-9 HMDB:HMDB0033209 KEGG:C14420 KEGG:D07950 LINCS:LSM-25615 PMID:11048676 PMID:18558709 PPDB:310 Reaxys:1974129 VSDB:310 Wikipedia:Fenthion Fenthion O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate chebi_ontology 4-Methylmercapto-3-methylphenyl dimethyl thiophosphate MPP Mercaptophos O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate O,O-Dimethyl O-4-methylthio-m-tolyl phosphorothioate O,O-Dimethyl-O-4-(methylmercapto)-3-methylphenyl thiophosphate O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylthio)phenyl) ester CHEBI:34761 fenthion Beilstein:1974129 Beilstein CAS:55-38-9 ChemIDplus CAS:55-38-9 KEGG COMPOUND CAS:55-38-9 NIST Chemistry WebBook PMID:11048676 Europe PMC PMID:18558709 Europe PMC Reaxys:1974129 Reaxys Fenthion KEGG_COMPOUND O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate IUPAC 4-Methylmercapto-3-methylphenyl dimethyl thiophosphate KEGG_COMPOUND MPP KEGG_COMPOUND Mercaptophos ChemIDplus O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate ChemIDplus O,O-Dimethyl O-4-methylthio-m-tolyl phosphorothioate ChemIDplus O,O-Dimethyl-O-4-(methylmercapto)-3-methylphenyl thiophosphate ChemIDplus O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate IUPAC Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylthio)phenyl) ester ChemIDplus An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. 0 C5H4O2 InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H HYBBIBNJHNGZAN-UHFFFAOYSA-N 96.08410 96.02113 O=Cc1ccco1 CHEBI:42593 CAS:98-01-1 KEGG:C14279 KNApSAcK:C00030331 MetaCyc:CPD0-2357 PDBeChem:FU2 PMID:17439666 PMID:21925629 PMID:22081946 PMID:22133603 PMID:22213717 PMID:22277539 PMID:22315196 PMID:22504824 PMID:22512171 PMID:22592554 PMID:22639140 PMID:22648683 PMID:22703600 PPDB:368 Reaxys:105755 Wikipedia:Furfural YMDB:YMDB01459 furan-2-carbaldehyde chebi_ontology 2-Formylfuran 2-Furaldehyde 2-Furanaldehyde 2-Furancarbonal 2-Furancarboxaldehyde 2-Furyl-methanal 2-Furylcarboxaldehyde Furaldehyde CHEBI:34768 furfural CAS:98-01-1 ChemIDplus CAS:98-01-1 KEGG COMPOUND CAS:98-01-1 NIST Chemistry WebBook PMID:17439666 Europe PMC PMID:21925629 Europe PMC PMID:22081946 Europe PMC PMID:22133603 Europe PMC PMID:22213717 Europe PMC PMID:22277539 Europe PMC PMID:22315196 Europe PMC PMID:22504824 Europe PMC PMID:22512171 Europe PMC PMID:22592554 Europe PMC PMID:22639140 Europe PMC PMID:22648683 Europe PMC PMID:22703600 Europe PMC Reaxys:105755 Reaxys furan-2-carbaldehyde IUPAC 2-Formylfuran ChemIDplus 2-Furaldehyde KEGG_COMPOUND 2-Furanaldehyde NIST_Chemistry_WebBook 2-Furancarbonal ChemIDplus 2-Furancarboxaldehyde ChemIDplus 2-Furyl-methanal ChemIDplus 2-Furylcarboxaldehyde ChemIDplus Furaldehyde NIST_Chemistry_WebBook A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations. 0 C10H5Cl7 InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H FRCCEHPWNOQAEU-UHFFFAOYSA-N 373.31560 369.82109 ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Beilstein:2058523 CAS:76-44-8 KEGG:C14185 PMID:24177859 PMID:24577234 PPDB:378 Reaxys:2058523 Wikipedia:Heptachlor 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene Heptachlor chebi_ontology 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene 3-chlorochlordene Heptachlorane Heptamul CHEBI:34785 heptachlor Beilstein:2058523 Beilstein CAS:76-44-8 ChemIDplus CAS:76-44-8 KEGG COMPOUND CAS:76-44-8 NIST Chemistry WebBook PMID:24177859 Europe PMC PMID:24577234 Europe PMC Reaxys:2058523 Reaxys 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene IUPAC Heptachlor KEGG_COMPOUND 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene ChemIDplus 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene IUPAC 3-chlorochlordene ChemIDplus Heptachlorane KEGG_COMPOUND Heptamul NIST_Chemistry_WebBook 0 C10H5Cl7O InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H ZXFXBSWRVIQKOD-UHFFFAOYSA-N 389.317 385.81601 ClC1C2OC2C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl CAS:1024-57-3 KEGG:C14327 Heptachlor epoxide chebi_ontology CHEBI:34786 Heptachlor epoxide CAS:1024-57-3 KEGG COMPOUND Heptachlor epoxide KEGG_COMPOUND A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5. 0 C9H14O InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 HJOVHMDZYOCNQW-UHFFFAOYSA-N 138.20690 138.10447 CC1=CC(=O)CC(C)(C)C1 Beilstein:1280721 CAS:78-59-1 HMDB:HMDB0031195 KEGG:C14743 KNApSAcK:C00030540 PMID:23183344 PMID:23472460 PMID:23506080 PMID:23923622 PPDB:1351 Reaxys:1280721 Wikipedia:Isophorone 3,5,5-trimethylcyclohex-2-en-1-one Isophorone chebi_ontology 1,1,3-Trimethyl-3-cyclohexene-5-one 3,5,5-Trimethyl-2-cyclohexen-1-on Isoacetophorone Isoforone Isooctopherone Izoforon CHEBI:34800 isophorone Beilstein:1280721 ChemIDplus CAS:78-59-1 ChemIDplus CAS:78-59-1 KEGG COMPOUND CAS:78-59-1 NIST Chemistry WebBook PMID:23183344 Europe PMC PMID:23472460 Europe PMC PMID:23506080 Europe PMC PMID:23923622 Europe PMC Reaxys:1280721 Reaxys 3,5,5-trimethylcyclohex-2-en-1-one IUPAC Isophorone KEGG_COMPOUND 1,1,3-Trimethyl-3-cyclohexene-5-one KEGG_COMPOUND 3,5,5-Trimethyl-2-cyclohexen-1-on ChemIDplus Isoacetophorone ChemIDplus Isoforone ChemIDplus Isooctopherone ChemIDplus Izoforon ChemIDplus A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5. 0 C9H12 InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 AUHZEENZYGFFBQ-UHFFFAOYSA-N 120.19158 120.09390 Cc1cc(C)cc(C)c1 Beilstein:906806 CAS:108-67-8 Gmelin:2956 HMDB:HMDB0041924 KEGG:C14508 PMID:16549407 Reaxys:906806 Wikipedia:Mesitylene 1,3,5-Trimethylbenzene 1,3,5-trimethylbenzene chebi_ontology 3,5-dimethyltoluene Mesitylene s-trimethylbenzene sym-trimethylbenzene CHEBI:34833 1,3,5-trimethylbenzene Beilstein:906806 Beilstein CAS:108-67-8 ChemIDplus CAS:108-67-8 KEGG COMPOUND CAS:108-67-8 NIST Chemistry WebBook Gmelin:2956 Gmelin PMID:16549407 Europe PMC Reaxys:906806 Reaxys 1,3,5-Trimethylbenzene KEGG_COMPOUND 1,3,5-trimethylbenzene IUPAC 3,5-dimethyltoluene ChemIDplus Mesitylene KEGG_COMPOUND s-trimethylbenzene NIST_Chemistry_WebBook sym-trimethylbenzene NIST_Chemistry_WebBook An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. 0 C5H8O2 InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 VVQNEPGJFQJSBK-UHFFFAOYSA-N 100.117 100.05243 COC(C(C)=C)=O Beilstein:605459 CAS:80-62-6 Gmelin:2691 HMDB:HMDB0032385 KEGG:C14527 PMID:10444249 PMID:11714252 PMID:16020090 PMID:22566411 PMID:23242048 PMID:23306624 PMID:23342990 PMID:23432523 PMID:23450227 PMID:23508285 PMID:23583434 PMID:23584430 PMID:23719017 PMID:9036138 Reaxys:605459 Wikipedia:Methyl_methacrylate Methyl methacrylate chebi_ontology 2-(Methoxycarbonyl)-1-propene 2-Methyl-2-propenoic acid methyl ester 2-Methylacrylic acid methyl ester MMA Methacrylate de methyle Methacrylic acid methyl ester Methacrylsaeuremethyl ester Methyl 2-methyl-2-propenoate Methyl 2-methylacrylate Methyl 2-methylpropenoate Methyl alpha-methylacrylate Methyl methylacrylate Methyl-methacrylat Methylmethacrylate CHEBI:34840 methyl methacrylate Beilstein:605459 Beilstein CAS:80-62-6 ChemIDplus CAS:80-62-6 KEGG COMPOUND CAS:80-62-6 NIST Chemistry WebBook Gmelin:2691 Gmelin PMID:10444249 Europe PMC PMID:11714252 Europe PMC PMID:16020090 Europe PMC PMID:22566411 Europe PMC PMID:23242048 Europe PMC PMID:23306624 Europe PMC PMID:23342990 Europe PMC PMID:23432523 Europe PMC PMID:23450227 Europe PMC PMID:23508285 Europe PMC PMID:23583434 Europe PMC PMID:23584430 Europe PMC PMID:23719017 Europe PMC PMID:9036138 Europe PMC Reaxys:605459 Reaxys Methyl methacrylate KEGG_COMPOUND 2-(Methoxycarbonyl)-1-propene ChemIDplus 2-Methyl-2-propenoic acid methyl ester ChemIDplus 2-Methylacrylic acid methyl ester ChemIDplus MMA KEGG_COMPOUND Methacrylate de methyle ChemIDplus Methacrylic acid methyl ester ChemIDplus Methacrylsaeuremethyl ester ChemIDplus Methyl 2-methyl-2-propenoate ChemIDplus Methyl 2-methylacrylate NIST_Chemistry_WebBook Methyl 2-methylpropenoate KEGG_COMPOUND Methyl alpha-methylacrylate NIST_Chemistry_WebBook Methyl methylacrylate ChemIDplus Methyl-methacrylat ChemIDplus Methylmethacrylate ChemIDplus A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3. 0 C8H14N4OS InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N 214.28800 214.08883 CSc1nnc(c(=O)n1N)C(C)(C)C CAS:21087-64-9 KEGG:C14332 PMID:23139237 PMID:24328539 PMID:24631619 PPDB:469 Pesticides:metribuzin Reaxys:746650 Wikipedia:Metribuzin 4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one chebi_ontology 4-amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one CHEBI:34846 metribuzin CAS:21087-64-9 ChemIDplus CAS:21087-64-9 KEGG COMPOUND CAS:21087-64-9 NIST Chemistry WebBook PMID:23139237 Europe PMC PMID:24328539 Europe PMC PMID:24631619 Europe PMC Pesticides:metribuzin Alan Wood's Pesticides Reaxys:746650 Reaxys 4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one IUPAC 4-amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one ChEBI A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. 0 C23H34O5 InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 AJLFOPYRIVGYMJ-INTXDZFKSA-N 390.51310 390.24062 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 CAS:73573-88-3 DrugBank:DB06693 KEGG:C13963 KNApSAcK:C00000564 LINCS:LSM-4123 PMID:11283400 PMID:12403272 PMID:15274361 PMID:15531285 PMID:15786722 PMID:18672387 PMID:18936176 PMID:20629200 PMID:23918904 PMID:24462564 PMID:3170348 PMID:3719857 Patent:DE2524355 Patent:US3983140 Reaxys:3630717 Wikipedia:Mevastatin (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate Mevastatin mevastatin chebi_ontology CS 500 Compactin ML 236 B ML-236B antibiotic ML 236B mevastatin mevastatina mevastatine mevastatinum CHEBI:34848 mevastatin CAS:73573-88-3 ChemIDplus CAS:73573-88-3 KEGG COMPOUND PMID:11283400 Europe PMC PMID:12403272 Europe PMC PMID:15274361 Europe PMC PMID:15531285 Europe PMC PMID:15786722 Europe PMC PMID:18672387 Europe PMC PMID:18936176 Europe PMC PMID:20629200 Europe PMC PMID:23918904 Europe PMC PMID:24462564 Europe PMC PMID:3170348 Europe PMC PMID:3719857 Europe PMC Reaxys:3630717 Reaxys (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate IUPAC Mevastatin KEGG_COMPOUND mevastatin UniProt CS 500 ChemIDplus Compactin KEGG_COMPOUND ML 236 B ChemIDplus ML-236B KEGG_COMPOUND antibiotic ML 236B ChemIDplus mevastatin WHO_MedNet mevastatina WHO_MedNet mevastatine WHO_MedNet mevastatinum WHO_MedNet 0 C10Cl12 InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18 GVYLCNUFSHDAAW-UHFFFAOYSA-N 545.53940 539.62623 ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl Beilstein:2010845 CAS:2385-85-5 Gmelin:1789502 HMDB:HMDB0059573 KEGG:C14184 PPDB:1294 Patent:US2702305 Patent:US2724730 Reaxys:2010845 Wikipedia:Mirex 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene Mirex chebi_ontology 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane CG-1283 Dechlorane dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene perchlorodihomocubane perchloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decane perchloropentacyclodecane CHEBI:34852 mirex Beilstein:2010845 Beilstein CAS:2385-85-5 ChemIDplus CAS:2385-85-5 KEGG COMPOUND CAS:2385-85-5 NIST Chemistry WebBook Gmelin:1789502 Gmelin Reaxys:2010845 Reaxys 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene IUPAC Mirex KEGG_COMPOUND 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane IUPAC CG-1283 ChemIDplus Dechlorane ChemIDplus dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene NIST_Chemistry_WebBook perchlorodihomocubane ChemIDplus perchloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decane NIST_Chemistry_WebBook perchloropentacyclodecane ChemIDplus An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family. 0 C4H9NO InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 YNAVUWVOSKDBBP-UHFFFAOYSA-N 87.122 87.06841 C1COCCN1 Beilstein:102549 CAS:110-91-8 Chemspider:13837537 DrugBank:DB13669 FooDB:FDB008207 Gmelin:1803 HMDB:HMDB0031581 KEGG:C14452 PDBeChem:6LR PMID:15017096 PMID:2699898 PMID:31512284 PMID:31978684 PMID:32017384 PMID:33459557 Wikipedia:Morpholine Morpholine morpholine chebi_ontology 1,4-oxazinane 1-oxa-4-azacyclohexane diethylene imidoxide diethylene oximide diethylenimide oxide tetrahydro-1,4-oxazine tetrahydro-p-oxazine CHEBI:34856 morpholine Beilstein:102549 Beilstein CAS:110-91-8 ChemIDplus CAS:110-91-8 KEGG COMPOUND CAS:110-91-8 NIST Chemistry WebBook Gmelin:1803 Gmelin PMID:15017096 Europe PMC PMID:2699898 Europe PMC PMID:31512284 Europe PMC PMID:31978684 Europe PMC PMID:32017384 Europe PMC PMID:33459557 Europe PMC Morpholine KEGG_COMPOUND morpholine IUPAC 1,4-oxazinane ChEBI 1-oxa-4-azacyclohexane ChemIDplus diethylene imidoxide ChemIDplus diethylene oximide ChemIDplus diethylenimide oxide ChemIDplus tetrahydro-1,4-oxazine KEGG_COMPOUND tetrahydro-p-oxazine ChemIDplus A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom. 0 C4H10N2O InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3 WBNQDOYYEUMPFS-UHFFFAOYSA-N 102.135 102.07931 CCN(CC)N=O Beilstein:1744991 CAS:55-18-5 KEGG:C14422 PMID:24696076 PMID:24755254 Reaxys:1744991 N-Nitrosodiethylamine N-ethyl-N-nitrosoethanamine chebi_ontology 1,1-diethyl-2-oxohydrazine DANA DEN Diethylnitrosamine N,N-diethylnitrosamine N,N-diethylnitrosoamine NDEA diethylnitrosoamine CHEBI:34873 N-nitrosodiethylamine Beilstein:1744991 Beilstein CAS:55-18-5 ChemIDplus CAS:55-18-5 KEGG COMPOUND CAS:55-18-5 NIST Chemistry WebBook PMID:24696076 Europe PMC PMID:24755254 Europe PMC Reaxys:1744991 Reaxys N-Nitrosodiethylamine KEGG_COMPOUND N-ethyl-N-nitrosoethanamine IUPAC 1,1-diethyl-2-oxohydrazine NIST_Chemistry_WebBook DANA NIST_Chemistry_WebBook DEN NIST_Chemistry_WebBook Diethylnitrosamine KEGG_COMPOUND N,N-diethylnitrosamine ChemIDplus N,N-diethylnitrosoamine ChemIDplus NDEA KEGG_COMPOUND diethylnitrosoamine ChemIDplus 0 C12H10N2O InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H UBUCNCOMADRQHX-UHFFFAOYSA-N 198.221 198.07931 O=NN(c1ccccc1)c1ccccc1 CAS:86-30-6 KEGG:C14742 N-Nitrosodiphenylamine chebi_ontology CHEBI:34875 N-Nitrosodiphenylamine CAS:86-30-6 KEGG COMPOUND N-Nitrosodiphenylamine KEGG_COMPOUND 0 C16H13N InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H KEQFTVQCIQJIQW-UHFFFAOYSA-N 219.282 219.10480 N(c1ccccc1)c1ccc2ccccc2c1 CAS:135-88-6 HMDB:HMDB0032865 KEGG:C14694 N-Phenyl-2-naphthylamine chebi_ontology 2-Phenylaminonaphthalene Neozone CHEBI:34877 N-Phenyl-2-naphthylamine CAS:135-88-6 KEGG COMPOUND N-Phenyl-2-naphthylamine KEGG_COMPOUND 2-Phenylaminonaphthalene KEGG_COMPOUND Neozone KEGG_COMPOUND A member of the class of benzimidazoles that is benzimidalole which is substituted at position 2 by a (methoxycarbonyl)amino group and at position 5 by a 2-thienoyl group. It is an antineoplastic agent that exerts its effect by depolymerising microtubules. 0 C14H11N3O3S InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19) KYRVNWMVYQXFEU-UHFFFAOYSA-N 301.32000 301.05211 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1cccs1 Beilstein:1085978 CAS:31430-18-9 DrugBank:DB08313 KEGG:C13719 KEGG:D05197 LINCS:LSM-2260 PDBeChem:NZO PMID:11679255 PMID:20399776 PMID:22002881 PMID:23869451 PMID:518692 PMID:6384770 PMID:7199049 PMID:7284368 PMID:7344613 Reaxys:1085978 Wikipedia:Nocodazole methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate chebi_ontology (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-carbamic acid methyl ester N-(5-(2-thenoyl)-2-benzimidazolyl)carbamic acid methyl ester N-(5-(2-thienoyl)-2-benzimidazolyl)carbamic acid methyl ester R 17934 R-17934 R17,934 methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamate methyl N-(5-thenoyl-2-benzimidazolyl)carbamate nocodazol nocodazole nocodazolum oncodazole CHEBI:34892 nocodazole Beilstein:1085978 Beilstein CAS:31430-18-9 ChemIDplus CAS:31430-18-9 KEGG COMPOUND CAS:31430-18-9 NIST Chemistry WebBook PMID:11679255 Europe PMC PMID:20399776 Europe PMC PMID:22002881 Europe PMC PMID:23869451 Europe PMC PMID:518692 Europe PMC PMID:6384770 Europe PMC PMID:7199049 Europe PMC PMID:7284368 Europe PMC PMID:7344613 Europe PMC Reaxys:1085978 Reaxys methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate IUPAC (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-carbamic acid methyl ester ChemIDplus N-(5-(2-thenoyl)-2-benzimidazolyl)carbamic acid methyl ester ChemIDplus N-(5-(2-thienoyl)-2-benzimidazolyl)carbamic acid methyl ester NIST_Chemistry_WebBook R 17934 ChemIDplus R-17934 ChEBI R17,934 ChemIDplus methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamate ChemIDplus methyl N-(5-thenoyl-2-benzimidazolyl)carbamate NIST_Chemistry_WebBook nocodazol ChemIDplus nocodazole KEGG_DRUG nocodazole WHO_MedNet nocodazolum ChemIDplus oncodazole ChemIDplus An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. +2 C12H14N2 InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2 INFDPOAKFNIJBF-UHFFFAOYSA-N 186.25304 186.11460 C[n+]1ccc(cc1)-c1cc[n+](C)cc1 Beilstein:3590305 CAS:4685-14-7 Chemspider:15147 FooDB:FDB011120 Gmelin:51125 KEGG:C14701 PMID:11349957 PMID:18620719 PMID:20377249 PMID:20582739 PMID:21151885 PMID:21236547 PMID:21300143 PMID:21318114 PMID:21429624 PMID:21493003 PMID:21598522 PMID:21616728 PMID:21619794 PMID:21619822 PMID:21750730 PMID:21777615 PMID:21787677 PMID:21802509 PPDB:505 Pesticides:paraquat Reaxys:3590305 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium Paraquat chebi_ontology 1,1'-Dimethyl-4,4'-bipyridinium 1,1'-dimethyl-4,4'-bipyridyldiylium N,N'-dimethyl-4,4'-bipyridinium N,N'-dimethyl-4,4'-bipyridinium dication dimethyl viologen methyl viologen ion(2+) paraquat dication paraquat ion CHEBI:34905 paraquat Beilstein:3590305 Beilstein CAS:4685-14-7 ChemIDplus CAS:4685-14-7 KEGG COMPOUND CAS:4685-14-7 NIST Chemistry WebBook Gmelin:51125 Gmelin PMID:11349957 Europe PMC PMID:18620719 Europe PMC PMID:20377249 Europe PMC PMID:20582739 Europe PMC PMID:21151885 Europe PMC PMID:21236547 Europe PMC PMID:21300143 Europe PMC PMID:21318114 Europe PMC PMID:21429624 Europe PMC PMID:21493003 Europe PMC PMID:21598522 Europe PMC PMID:21616728 Europe PMC PMID:21619794 Europe PMC PMID:21619822 Europe PMC PMID:21750730 Europe PMC PMID:21777615 Europe PMC PMID:21787677 Europe PMC PMID:21802509 Europe PMC Pesticides:paraquat Alan Wood's Pesticides Reaxys:3590305 Reaxys 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium IUPAC Paraquat KEGG_COMPOUND 1,1'-Dimethyl-4,4'-bipyridinium KEGG_COMPOUND 1,1'-dimethyl-4,4'-bipyridyldiylium ChemIDplus N,N'-dimethyl-4,4'-bipyridinium ChemIDplus N,N'-dimethyl-4,4'-bipyridinium dication ChemIDplus dimethyl viologen ChemIDplus methyl viologen ion(2+) ChemIDplus paraquat dication ChemIDplus paraquat ion ChemIDplus A C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicide used on a variety of crops, including cotton, rice and seed grains, it is no longer approved for use within the European Union. 0 C6Cl5NO2 InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 LKPLKUMXSAEKID-UHFFFAOYSA-N 295.33500 292.83717 [O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl AGR:IND86085618 CAS:82-68-8 KEGG:C14338 PMID:18294675 PMID:19298997 PMID:19429557 PMID:19959285 PMID:20022079 PMID:20131084 PMID:20560598 PMID:22074892 PMID:22112041 PMID:23454455 PMID:23474338 PMID:3311683 PMID:7027636 PMID:7445521 PPDB:581 Patent:US7629159 Pesticides:quintozene Reaxys:1914324 Wikipedia:Pentachloronitrobenzene 1,2,3,4,5-pentachloro-6-nitrobenzene Pentachloronitrobenzene chebi_ontology 2,3,4,5,6-pentachloronitrobenzene Avicol Batrilex Botrilex Brassicol Earthcide Fartox Folosan Fungiclor PCNB PKhNC Pentachlornitrobenzol Pentagen Phomasan Quintozene Terrachlor Terraclor Terrafun Tilcarex nitropentachlorobenzene pentachlornitrobenzol CHEBI:34908 pentachloronitrobenzene AGR:IND86085618 Europe PMC CAS:82-68-8 ChemIDplus CAS:82-68-8 KEGG COMPOUND CAS:82-68-8 NIST Chemistry WebBook PMID:18294675 Europe PMC PMID:19298997 Europe PMC PMID:19429557 Europe PMC PMID:19959285 Europe PMC PMID:20022079 Europe PMC PMID:20131084 Europe PMC PMID:20560598 Europe PMC PMID:22074892 Europe PMC PMID:22112041 Europe PMC PMID:23454455 Europe PMC PMID:23474338 Europe PMC PMID:3311683 Europe PMC PMID:7027636 Europe PMC PMID:7445521 Europe PMC Pesticides:quintozene Alan Wood's Pesticides Reaxys:1914324 Reaxys 1,2,3,4,5-pentachloro-6-nitrobenzene IUPAC Pentachloronitrobenzene KEGG_COMPOUND 2,3,4,5,6-pentachloronitrobenzene ChEBI Avicol NIST_Chemistry_WebBook Batrilex NIST_Chemistry_WebBook Botrilex NIST_Chemistry_WebBook Brassicol NIST_Chemistry_WebBook Earthcide NIST_Chemistry_WebBook Fartox NIST_Chemistry_WebBook Folosan NIST_Chemistry_WebBook Fungiclor NIST_Chemistry_WebBook PCNB KEGG_COMPOUND PKhNC ChEBI Pentachlornitrobenzol ChemIDplus Pentagen NIST_Chemistry_WebBook Phomasan NIST_Chemistry_WebBook Quintozene KEGG_COMPOUND Terrachlor NIST_Chemistry_WebBook Terraclor NIST_Chemistry_WebBook Terrafun NIST_Chemistry_WebBook Tilcarex NIST_Chemistry_WebBook nitropentachlorobenzene ChemIDplus pentachlornitrobenzol NIST_Chemistry_WebBook A cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups. 0 C21H20Cl2O3 InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3 RLLPVAHGXHCWKJ-UHFFFAOYSA-N 391.28710 390.07895 CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1 CAS:52645-53-1 DrugBank:DB04930 Drug_Central:4152 KEGG:C14388 KEGG:D05443 PMID:11082455 PMID:12419701 PMID:14617103 PMID:15599112 PMID:15663293 PMID:15966049 PMID:16423402 PMID:16481707 PMID:16599165 PMID:17140720 PMID:17220085 PMID:17451859 PMID:17597311 PMID:17980950 PMID:18274958 PMID:18570364 PMID:18692543 PMID:18723882 PMID:19079720 PMID:19090765 PMID:19278716 PMID:19343362 PMID:19835699 PMID:19962303 PMID:20960224 PMID:21069313 PMID:21133424 PMID:21235202 PMID:21240732 PMID:21251955 PMID:21352824 PMID:21485369 PMID:21756140 PMID:21809414 PMID:21812972 PMID:25042713 PPDB:515 Reaxys:5765325 VSDB:515 Wikipedia:Permethrin 3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate Permethrin chebi_ontology (3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester permethrin CHEBI:34911 permethrin CAS:52645-53-1 ChemIDplus CAS:52645-53-1 KEGG COMPOUND Drug_Central:4152 DrugCentral PMID:11082455 Europe PMC PMID:12419701 Europe PMC PMID:14617103 Europe PMC PMID:15599112 Europe PMC PMID:15663293 Europe PMC PMID:15966049 Europe PMC PMID:16423402 Europe PMC PMID:16481707 Europe PMC PMID:16599165 Europe PMC PMID:17140720 Europe PMC PMID:17220085 Europe PMC PMID:17451859 Europe PMC PMID:17597311 Europe PMC PMID:17980950 Europe PMC PMID:18274958 Europe PMC PMID:18570364 Europe PMC PMID:18692543 Europe PMC PMID:18723882 Europe PMC PMID:19079720 Europe PMC PMID:19090765 Europe PMC PMID:19278716 Europe PMC PMID:19343362 Europe PMC PMID:19835699 Europe PMC PMID:19962303 Europe PMC PMID:20960224 Europe PMC PMID:21069313 Europe PMC PMID:21133424 Europe PMC PMID:21235202 Europe PMC PMID:21240732 Europe PMC PMID:21251955 Europe PMC PMID:21352824 Europe PMC PMID:21485369 Europe PMC PMID:21756140 Europe PMC PMID:21809414 Europe PMC PMID:21812972 Europe PMC PMID:25042713 Europe PMC Reaxys:5765325 Reaxys 3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate IUPAC Permethrin KEGG_COMPOUND (3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate ChemIDplus 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester ChemIDplus permethrin ChemIDplus 0 C20H14O4 InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H KJFMBFZCATUALV-UHFFFAOYSA-N 318.324 318.08921 Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 CAS:77-09-8 Drug_Central:2135 KEGG:C14286 KEGG:D05456 LINCS:LSM-2432 Phenolphthalein chebi_ontology 3,3-Bis(4-hydroxyphenyl)phthalide euchessina phthalimetten phthalin CHEBI:34914 phenolphthalein CAS:77-09-8 KEGG COMPOUND Drug_Central:2135 DrugCentral Phenolphthalein KEGG_COMPOUND 3,3-Bis(4-hydroxyphenyl)phthalide KEGG_COMPOUND euchessina DrugCentral phthalimetten DrugCentral phthalin DrugCentral 0 C23H26O3 InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3 SBNFWQZLDJGRLK-UHFFFAOYSA-N 350.45074 350.18819 CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C Beilstein:2160930 CAS:26002-80-2 Drug_Central:4686 KEGG:C14387 KEGG:D08357 LINCS:LSM-4363 PPDB:517 VSDB:517 3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Phenothrin chebi_ontology 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester Sumithrin CHEBI:34916 phenothrin Beilstein:2160930 Beilstein CAS:26002-80-2 ChemIDplus CAS:26002-80-2 KEGG COMPOUND Drug_Central:4686 DrugCentral 3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC Phenothrin KEGG_COMPOUND 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester ChemIDplus Sumithrin KEGG_COMPOUND A pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. It is a systemic herbicide used to control deeply rooted herbaceous weeds and woody plants in rights-of-way, forestry, range lands, pastures, and small grain crops. 0 C6H3Cl3N2O2 InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13) NQQVFXUMIDALNH-UHFFFAOYSA-N 241.450 239.92601 C1(=C(C(C(=O)O)=NC(=C1Cl)Cl)Cl)N AGR:IND606190450 Beilstein:0479075 CAS:1918-02-1 KEGG:C14310 PMID:11319026 PMID:11368227 PMID:12128102 PMID:16920877 PMID:24737019 PMID:28281061 PMID:28819832 PMID:29948674 PMID:31055199 PMID:31254607 PMID:31382345 PMID:31414816 PMID:3567404 PMID:5153743 PPDB:525 Pesticides:picloram Wikipedia:Picloram 4-amino-3,5,6-trichloropyridine-2-carboxylic acid chebi_ontology 3,5,6-trichloro-4-amino-2-pyridinecarboxylic acid 3,5,6-trichloro-4-aminopicolinic acid 4-amino-3,5,6-trichloro-2-picolinic acid 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid 4-amino-3,5,6-trichloropicolinic acid Access Amdon Borolin Grazon K-Pin Pathway Tordon picloram acid piclorame CHEBI:34922 picloram AGR:IND606190450 Europe PMC Beilstein:0479075 Beilstein CAS:1918-02-1 ChemIDplus CAS:1918-02-1 NIST Chemistry WebBook PMID:11319026 Europe PMC PMID:11368227 Europe PMC PMID:12128102 Europe PMC PMID:16920877 Europe PMC PMID:24737019 Europe PMC PMID:28281061 Europe PMC PMID:28819832 Europe PMC PMID:29948674 Europe PMC PMID:31055199 Europe PMC PMID:31254607 Europe PMC PMID:31382345 Europe PMC PMID:31414816 Europe PMC PMID:3567404 Europe PMC PMID:5153743 Europe PMC Pesticides:picloram Alan Wood's Pesticides 4-amino-3,5,6-trichloropyridine-2-carboxylic acid IUPAC 3,5,6-trichloro-4-amino-2-pyridinecarboxylic acid ChEBI 3,5,6-trichloro-4-aminopicolinic acid ChemIDplus 4-amino-3,5,6-trichloro-2-picolinic acid ChemIDplus 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid Alan_Wood's_Pesticides 4-amino-3,5,6-trichloropicolinic acid Alan_Wood's_Pesticides Access ChEBI Amdon ChemIDplus Borolin ChemIDplus Grazon ChEBI K-Pin ChemIDplus Pathway ChEBI Tordon ChemIDplus picloram acid PPDB piclorame PPDB A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group. 0 C10H19N5O InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) ISEUFVQQFVOBCY-UHFFFAOYSA-N 225.29096 225.15896 COc1nc(NC(C)C)nc(NC(C)C)n1 Beilstein:613574 CAS:1610-18-0 Gmelin:1044586 KEGG:C14186 LINCS:LSM-4231 PMID:19673294 PMID:22720575 PMID:24597577 PPDB:541 Pesticides:prometon Reaxys:613574 Wikipedia:Prometon 6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine Prometon chebi_ontology 2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine 2,4-bis(isopropylamino)-6-methoxy-s-triazine 2-methoxy-4,6-bis(isopropylamino)-1,3,5-triazine 2-methoxy-4,6-bis(isopropylamino)-s-triazine 4,6-bis(isopropylamino)-2-methoxy-s-triazine 6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine Gesafram N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine Pramitol methoxypropazine prometone CHEBI:34934 prometon Beilstein:613574 Beilstein CAS:1610-18-0 ChemIDplus CAS:1610-18-0 KEGG COMPOUND CAS:1610-18-0 NIST Chemistry WebBook Gmelin:1044586 Gmelin PMID:19673294 Europe PMC PMID:22720575 Europe PMC PMID:24597577 Europe PMC Pesticides:prometon Alan Wood's Pesticides Reaxys:613574 Reaxys 6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC Prometon KEGG_COMPOUND 2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine KEGG_COMPOUND 2,4-bis(isopropylamino)-6-methoxy-s-triazine NIST_Chemistry_WebBook 2-methoxy-4,6-bis(isopropylamino)-1,3,5-triazine NIST_Chemistry_WebBook 2-methoxy-4,6-bis(isopropylamino)-s-triazine NIST_Chemistry_WebBook 4,6-bis(isopropylamino)-2-methoxy-s-triazine NIST_Chemistry_WebBook 6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine NIST_Chemistry_WebBook Gesafram NIST_Chemistry_WebBook N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine NIST_Chemistry_WebBook Pramitol NIST_Chemistry_WebBook methoxypropazine NIST_Chemistry_WebBook prometone NIST_Chemistry_WebBook A member of the class of benzamides resulting from the formal condensation of the carboxy group of 3,5-dichlorobenzoic acid with the amino group of 2-methylbut-3-yn-2-amine. It is used as a systemic post-emergent herbicide for the control grass and broadleaf weeds in a wide range of in a wide variety of fruit and root crops. 0 C12H11Cl2NO InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16) PHNUZKMIPFFYSO-UHFFFAOYSA-N 256.128 255.02177 C#CC(NC(C1=CC(=CC(=C1)Cl)Cl)=O)(C)C CAS:23950-58-5 KEGG:C14333 PMID:25092647 PMID:25541381 PMID:25707858 PMID:25846364 PMID:25846366 PPDB:556 Patent:US3534908 Patent:US3640699 Pesticides:propyzamide Reaxys:882391 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide chebi_ontology 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide 3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide Cohort Kerb Kerb Flo Pronamide Rustler CHEBI:34935 propyzamide CAS:23950-58-5 Alan Wood's Pesticides CAS:23950-58-5 ChemIDplus CAS:23950-58-5 KEGG COMPOUND CAS:23950-58-5 NIST Chemistry WebBook PMID:25092647 Europe PMC PMID:25541381 Europe PMC PMID:25707858 Europe PMC PMID:25846364 Europe PMC PMID:25846366 Europe PMC Pesticides:propyzamide Alan Wood's Pesticides Reaxys:882391 Reaxys 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide IUPAC 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide Alan_Wood's_Pesticides 3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide Alan_Wood's_Pesticides Cohort ChEBI Kerb NIST_Chemistry_WebBook Kerb Flo ChEBI Pronamide KEGG_COMPOUND Rustler ChEBI A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. 0 C11H15NO3 InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N 209.24170 209.10519 CNC(=O)Oc1ccccc1OC(C)C CAS:114-26-1 KEGG:C14334 KEGG:D08442 PMID:19019354 PMID:23201499 PMID:24733834 PMID:25016118 PPDB:553 Pesticides:propoxur Reaxys:1879891 VSDB:553 Wikipedia:Propoxur 2-(propan-2-yloxy)phenyl methylcarbamate Propoxur propoxur chebi_ontology 2-(1-methylethoxy)phenyl methylcarbamate 2-Isopropoxyphenyl N-methylcarbamate 2-Isopropoxyphenyl methylcarbamate Aprocarb Baygon CHEBI:34938 propoxur CAS:114-26-1 ChemIDplus CAS:114-26-1 KEGG COMPOUND CAS:114-26-1 NIST Chemistry WebBook PMID:19019354 Europe PMC PMID:23201499 Europe PMC PMID:24733834 Europe PMC PMID:25016118 Europe PMC Pesticides:propoxur Alan Wood's Pesticides Reaxys:1879891 Reaxys 2-(propan-2-yloxy)phenyl methylcarbamate IUPAC Propoxur KEGG_COMPOUND propoxur UniProt 2-(1-methylethoxy)phenyl methylcarbamate IUPAC 2-Isopropoxyphenyl N-methylcarbamate KEGG_COMPOUND 2-Isopropoxyphenyl methylcarbamate ChemIDplus Aprocarb KEGG_COMPOUND Baygon ChemIDplus 0 Cl6H42N14O2Ru3 H42N14O2Ru3.6Cl InChI=1S/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6 ZXYSDUPLHOJIOR-UHFFFAOYSA-H 786.35000 785.88766 [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[H][N+]([H])([H])[Ru--](O[Ru-3]([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])[N+]([H])([H])[H])(O[Ru-3]([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])[N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])[N+]([H])([H])[H] CAS:25125-46-6 Gmelin:53071 KEGG:C13932 Reaxys:14328304 Reaxys:14404389 Reaxys:15563844 Ruthenium red tetradecaammine-1kappa(5)N,2kappa(5)N,3kappa(4)N-di-mu-oxidotriruthenium hexachloride chebi_ontology [{Ru(NH3)5}(mu-O){Ru(NH3)4}(mu-O){Ru(NH3)5}]Cl6 tetradecaammine dioxotriruthenium hexachloride CHEBI:34956 ruthenium red CAS:25125-46-6 ChemIDplus CAS:25125-46-6 KEGG COMPOUND Gmelin:53071 Gmelin Reaxys:14328304 Reaxys Reaxys:14404389 Reaxys Reaxys:15563844 Reaxys Ruthenium red KEGG_COMPOUND tetradecaammine-1kappa(5)N,2kappa(5)N,3kappa(4)N-di-mu-oxidotriruthenium hexachloride IUPAC [{Ru(NH3)5}(mu-O){Ru(NH3)4}(mu-O){Ru(NH3)5}]Cl6 ChEBI tetradecaammine dioxotriruthenium hexachloride ChemIDplus 0 C10H9Cl4O4P InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5- UBCKGWBNUIFUST-YHYXMXQVSA-N 365.96062 363.89926 COP(=O)(OC)O\C(c1cc(Cl)c(Cl)cc1Cl)=C/Cl Beilstein:1890909 CAS:22248-79-9 KEGG:C14513 KEGG:D05929 PPDB:625 VSDB:625 (1Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate Tetrachlorvinphos chebi_ontology (Z)-2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate 2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate Gardona Stirofos Stirophos CHEBI:35005 tetrachlorvinphos Beilstein:1890909 Beilstein CAS:22248-79-9 ChemIDplus CAS:22248-79-9 KEGG COMPOUND (1Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate IUPAC Tetrachlorvinphos KEGG_COMPOUND (Z)-2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate ChemIDplus 2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate KEGG_COMPOUND Gardona ChemIDplus Stirofos ChemIDplus Stirophos ChemIDplus 0 C22H24N2O8.HCl 480.896 480.12994 CAS:64-75-5 KEGG:D02122 Tetracycline hydrochloride chebi_ontology CHEBI:35006 Tetracycline hydrochloride CAS:64-75-5 KEGG COMPOUND Tetracycline hydrochloride KEGG_COMPOUND An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene. 0 C10H12 InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 CXWXQJXEFPUFDZ-UHFFFAOYSA-N 132.20228 132.09390 C1CCc2ccccc2C1 Beilstein:1446407 CAS:119-64-2 Gmelin:3348 KEGG:C14114 PMID:23732916 PMID:24325207 Reaxys:1446407 Wikipedia:Tetralin 1,2,3,4-tetrahydronaphthalene Tetralin chebi_ontology 1,2,3,4-Tetrahydronaphthalene benzocyclohexane naphthalene 1,2,3,4-tetrahydride tetralene CHEBI:35008 tetralin Beilstein:1446407 Beilstein CAS:119-64-2 ChemIDplus CAS:119-64-2 KEGG COMPOUND CAS:119-64-2 NIST Chemistry WebBook Gmelin:3348 Gmelin PMID:23732916 Europe PMC PMID:24325207 Europe PMC Reaxys:1446407 Reaxys 1,2,3,4-tetrahydronaphthalene IUPAC Tetralin KEGG_COMPOUND 1,2,3,4-Tetrahydronaphthalene KEGG_COMPOUND benzocyclohexane NIST_Chemistry_WebBook naphthalene 1,2,3,4-tetrahydride ChemIDplus tetralene NIST_Chemistry_WebBook 0 C12H16ClNOS InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3 QHTQREMOGMZHJV-UHFFFAOYSA-N 257.781 257.06411 CCN(CC)C(=O)SCc1ccc(Cl)cc1 CAS:28249-77-6 KEGG:C14428 PPDB:636 Thiobencarb chebi_ontology Benthiocarb S-4-Chlorobenzyl diethylthiocarbamate CHEBI:35011 Thiobencarb CAS:28249-77-6 KEGG COMPOUND Thiobencarb KEGG_COMPOUND Benthiocarb KEGG_COMPOUND S-4-Chlorobenzyl diethylthiocarbamate KEGG_COMPOUND A trialkyl phosphate that is the tributyl ester of phosphoric acid. 0 C12H27O4P InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N 266.31414 266.16470 CCCCOP(=O)(OCCCC)OCCCC Beilstein:1710584 CAS:126-73-8 KEGG:C14439 PMID:23644771 PMID:23963271 Wikipedia:Tributyl_phosphate Tributyl phosphate chebi_ontology Butyl phosphate Phosphoric acid tri-n-butyl ester Phosphoric acid, tributyl ester TBP Tri-n-butyl phosphate Tributyle (phosphate de) Tributylphosphat Tributylphosphate CHEBI:35019 tributyl phosphate Beilstein:1710584 Beilstein CAS:126-73-8 ChemIDplus CAS:126-73-8 KEGG COMPOUND PMID:23644771 Europe PMC PMID:23963271 Europe PMC Tributyl phosphate KEGG_COMPOUND Butyl phosphate ChemIDplus Phosphoric acid tri-n-butyl ester NIST_Chemistry_WebBook Phosphoric acid, tributyl ester ChemIDplus TBP KEGG_COMPOUND Tri-n-butyl phosphate ChemIDplus Tributyle (phosphate de) ChemIDplus Tributylphosphat ChemIDplus Tributylphosphate ChemIDplus A tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group. 0 C6H15N InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 ZMANZCXQSJIPKH-UHFFFAOYSA-N 101.19004 101.12045 CCN(CC)CC Beilstein:605283 CAS:121-44-8 Gmelin:2455 HMDB:HMDB0032539 KEGG:C14691 MetaCyc:TRIETHYLAMINE PDBeChem:TEA PMID:24359525 Reaxys:605283 Wikipedia:Triethylamine N,N-diethylethanamine Triethylamine chebi_ontology (C2H5)3N (diethylamino)ethane N,N,N-triethylamine N,N-Diethylethanamine NEt3 TEA TEN Triaethylamin Triethylamin CHEBI:35026 triethylamine Beilstein:605283 Beilstein CAS:121-44-8 ChemIDplus CAS:121-44-8 KEGG COMPOUND CAS:121-44-8 NIST Chemistry WebBook Gmelin:2455 Gmelin PMID:24359525 Europe PMC Reaxys:605283 Reaxys N,N-diethylethanamine IUPAC Triethylamine KEGG_COMPOUND (C2H5)3N NIST_Chemistry_WebBook (diethylamino)ethane NIST_Chemistry_WebBook N,N,N-triethylamine NIST_Chemistry_WebBook N,N-Diethylethanamine KEGG_COMPOUND NEt3 IUPAC TEA ChemIDplus TEN ChemIDplus Triaethylamin ChEBI Triethylamin ChEBI A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. 0 C13H16F3N3O4 InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 ZSDSQXJSNMTJDA-UHFFFAOYSA-N 335.27900 335.10929 CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O CAS:1582-09-8 KEGG:C14343 PMID:21544921 PMID:24584589 PMID:24984475 PMID:25277710 PPDB:667 Pesticides:trifluralin Reaxys:1893555 Wikipedia:Trifluralin 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline chebi_ontology 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine CHEBI:35027 trifluralin CAS:1582-09-8 ChemIDplus CAS:1582-09-8 KEGG COMPOUND CAS:1582-09-8 NIST Chemistry WebBook PMID:21544921 Europe PMC PMID:24584589 Europe PMC PMID:24984475 Europe PMC PMID:25277710 Europe PMC Pesticides:trifluralin Alan Wood's Pesticides Reaxys:1893555 Reaxys 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline IUPAC 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine NIST_Chemistry_WebBook alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine NIST_Chemistry_WebBook An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol. 0 C18H15O4P InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H XZZNDPSIHUTMOC-UHFFFAOYSA-N 326.28306 326.07080 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 Beilstein:1888236 CAS:115-86-6 KEGG:C14235 PMID:24316320 PMID:24395120 Reaxys:1888236 Wikipedia:Triphenyl_phosphate Triphenyl phosphate triphenyl phosphate chebi_ontology Phosphoric acid, triphenyl ester TPP Triphenoxyphosphine oxide Triphenylphosphate CHEBI:35033 triphenyl phosphate Beilstein:1888236 Beilstein CAS:115-86-6 ChemIDplus CAS:115-86-6 KEGG COMPOUND CAS:115-86-6 NIST Chemistry WebBook PMID:24316320 Europe PMC PMID:24395120 Europe PMC Reaxys:1888236 Reaxys Triphenyl phosphate KEGG_COMPOUND triphenyl phosphate IUPAC Phosphoric acid, triphenyl ester ChEBI TPP ChemIDplus Triphenoxyphosphine oxide ChemIDplus Triphenylphosphate ChemIDplus An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a chloro group. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans. 0 C18H15ClSn InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1 NJVOZLGKTAPUTQ-UHFFFAOYSA-M 385.47000 385.98843 Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 CAS:639-58-7 KEGG:C14413 LINCS:LSM-37196 PMID:1280083 PMID:1677872 PMID:19882143 PMID:20591183 PMID:20708649 PMID:2084225 PMID:22002760 PMID:23128992 PMID:23981671 PMID:25045140 PMID:7679203 PPDB:1477 Reaxys:524762 chebi_ontology Chlorotriphenylstannane Chlorotriphenyltin TPTC Triphenylchlorostannane Triphenylchlorotin Triphenyltin chloride triphenylstannylium chloride CHEBI:35036 fentin chloride CAS:639-58-7 ChemIDplus CAS:639-58-7 KEGG COMPOUND CAS:639-58-7 NIST Chemistry WebBook PMID:1280083 Europe PMC PMID:1677872 Europe PMC PMID:19882143 Europe PMC PMID:20591183 Europe PMC PMID:20708649 Europe PMC PMID:2084225 Europe PMC PMID:22002760 Europe PMC PMID:23128992 Europe PMC PMID:23981671 Europe PMC PMID:25045140 Europe PMC PMID:7679203 Europe PMC Reaxys:524762 Reaxys Chlorotriphenylstannane ChemIDplus Chlorotriphenyltin ChemIDplus TPTC NIST_Chemistry_WebBook Triphenylchlorostannane ChemIDplus Triphenylchlorotin NIST_Chemistry_WebBook Triphenyltin chloride ChemIDplus Triphenyltin chloride KEGG_COMPOUND triphenylstannylium chloride Alan_Wood's_Pesticides A trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl. 0 C18H39O7P InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3 WTLBZVNBAKMVDP-UHFFFAOYSA-N 398.47182 398.24334 CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Beilstein:1716010 CAS:78-51-3 KEGG:C14446 PMID:24685621 PMID:24729049 Reaxys:1716010 Tris(2-butoxyethyl) phosphate tris(2-butoxyethyl) phosphate chebi_ontology Phosphoric acid, tri-(2-butoxyethyl) ester Phosphoric acid, tris(2-butoxyethyl) ester TBEP Tri(2-butoxyethyl) phosphate Tris(butoxyethyl)phosphate CHEBI:35038 tris(2-butoxyethyl) phosphate Beilstein:1716010 Beilstein CAS:78-51-3 ChemIDplus CAS:78-51-3 KEGG COMPOUND CAS:78-51-3 NIST Chemistry WebBook PMID:24685621 Europe PMC PMID:24729049 Europe PMC Reaxys:1716010 Reaxys Tris(2-butoxyethyl) phosphate KEGG_COMPOUND tris(2-butoxyethyl) phosphate IUPAC Phosphoric acid, tri-(2-butoxyethyl) ester NIST_Chemistry_WebBook Phosphoric acid, tris(2-butoxyethyl) ester ChemIDplus TBEP ChemIDplus Tri(2-butoxyethyl) phosphate ChemIDplus Tris(butoxyethyl)phosphate KEGG_COMPOUND An ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3. +1 C10H13N2O InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/p+1 QZAYGJVTTNCVMB-UHFFFAOYSA-O 177.22250 177.10224 [NH3+]CCc1c[nH]c2ccc(O)cc12 2-(5-hydroxy-1H-indol-3-yl)ethanaminium chebi_ontology serotonin serotonin cation CHEBI:350546 serotonin(1+) 2-(5-hydroxy-1H-indol-3-yl)ethanaminium IUPAC serotonin UniProt serotonin cation ChEBI 0 C9H10 InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3 XYLMUPLGERFSHI-UHFFFAOYSA-N 118.176 118.07825 CC(=C)c1ccccc1 CAS:98-83-9 HMDB:HMDB0059899 KEGG:C14395 alpha-Methylstyrene chebi_ontology 1-Methyl-1-phenylethylene 2-Phenylpropene CHEBI:35060 alpha-Methylstyrene CAS:98-83-9 KEGG COMPOUND alpha-Methylstyrene KEGG_COMPOUND 1-Methyl-1-phenylethylene KEGG_COMPOUND 2-Phenylpropene KEGG_COMPOUND chebi_ontology nitrogen hydrides CHEBI:35106 nitrogen hydride nitrogen hydrides ChEBI Saturated acyclic nitrogen hydrides having the general formula NnHn+2. chebi_ontology azanes CHEBI:35107 azane azanes ChEBI chebi_ontology CHEBI:35113 elemental mercury chebi_ontology CHEBI:35115 elemental manganese manganese coordination entity chebi_ontology manganese coordination compounds manganese coordination entities CHEBI:35117 manganese coordination entity manganese coordination entity ChEBI manganese coordination compounds ChEBI manganese coordination entities ChEBI chebi_ontology aldose phosphates CHEBI:35131 aldose phosphate aldose phosphates ChEBI magnesium hydroxide http://langual.org Codex::528 Europe::528 http://www.langual.org/langual_thesaurus.asp?termid=B3139 chebi_ontology magnesium hydroxides CHEBI:35149 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, colour retention agent. magnesium hydroxide calcium hydroxide http://langual.org Codex::526 Europe::526 http://www.langual.org/langual_thesaurus.asp?termid=B3042 chebi_ontology calcium hydroxides CHEBI:35150 LanguaL term definition: Food additive; technological purpose(s): acidity regulator, firming agent. calcium hydroxide calcium hydroxide calcium hydroxides ChEBI chebi_ontology CHEBI:35155 elemental calcium chebi_ontology Kalziumsalz Kalziumsalze calcium salts CHEBI:35156 calcium salt Kalziumsalz ChEBI Kalziumsalze ChEBI calcium salts ChEBI acyclic carotene cyclic carotene chebi_ontology cyclic carotenes CHEBI:35163 cyclic carotene cyclic carotene ChEBI cyclic carotenes ChEBI vanadium coordination entity chebi_ontology vanadium coordination compounds vanadium coordination entities CHEBI:35166 vanadium coordination entity vanadium coordination entity ChEBI vanadium coordination compounds ChEBI vanadium coordination entities ChEBI A divalent inorganic anion obtained by removal of two protons from vanadic acid. -2 HO4V InChI=1S/H2O.3O.V/h1H2;;;;/q;;2*-1;+1/p-1 OFDNVQLJBWZOME-UHFFFAOYSA-M 115.94704 115.93254 [H]O[V]([O-])([O-])=O Gmelin:2108 MolBase:50 hydrogen(tetraoxidovanadate)(2-) hydroxidotrioxidovanadate(2-) chebi_ontology HVO4(2-) [V(OH)O3](2-) [VO3(OH)](2-) hydrogen vanadate(V) CHEBI:35168 hydrogenvanadate Gmelin:2108 Gmelin hydrogen(tetraoxidovanadate)(2-) IUPAC hydroxidotrioxidovanadate(2-) IUPAC HVO4(2-) IUPAC [V(OH)O3](2-) MolBase [VO3(OH)](2-) IUPAC hydrogen vanadate(V) ChEBI A monovalent inorganic anion that consists of vanadic acid where one of the three OH groups has been deprotonated. -1 H2O4V InChI=1S/2H2O.2O.V/h2*1H2;;;/q;;;-1;+2/p-2 GFEYTWVSRDLPLE-UHFFFAOYSA-L 116.95498 116.93981 [H]O[V]([O-])(=O)O[H] Gmelin:2109 MolBase:53 dihydrogen(tetraoxidovanadate)(1-) dihydroxidodioxidovanadate(1-) chebi_ontology H2VO4(-) [V(OH)2O2](-) [VO2(OH)2](-) vanadate CHEBI:35169 dihydrogenvanadate Gmelin:2109 Gmelin dihydrogen(tetraoxidovanadate)(1-) IUPAC dihydroxidodioxidovanadate(1-) IUPAC H2VO4(-) IUPAC [V(OH)2O2](-) MolBase [VO2(OH)2](-) IUPAC vanadate UniProt chebi_ontology vanadium oxides CHEBI:35174 vanadium oxide vanadium oxides ChEBI sulfate salt An oxo monocarboxylic acid anion in which the oxo group is located at the 2-position. -1 C2O3R 72.020 71.98474 [O-]C(=O)C([*])=O CHEBI:70795 MetaCyc:2-Oxo-carboxylates PMID:10850983 chebi_ontology 2-oxo monocarboxylate 2-oxo monocarboxylic acid anions a 2-oxocarboxylate CHEBI:35179 2-oxo monocarboxylic acid anion MetaCyc:2-Oxo-carboxylates SUBMITTER PMID:10850983 SUBMITTER 2-oxo monocarboxylate ChEBI 2-oxo monocarboxylic acid anions ChEBI a 2-oxocarboxylate UniProt A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]. terpene terpenes chebi_ontology Terpen terpenes terpeno terpenos CHEBI:35186 terpene terpene terpene IUPAC terpenes IUPAC Terpen ChEBI terpenes IUPAC terpeno IUPAC terpenos IUPAC A C10 terpene. monoterpenes chebi_ontology Monoterpen monoterpenes monoterpeno monoterpenos CHEBI:35187 monoterpene monoterpenes IUPAC Monoterpen ChEBI monoterpenes IUPAC monoterpeno IUPAC monoterpenos IUPAC A C5 terpene. hemiterpenes chebi_ontology Hemiterpen hemiterpenes hemiterpeno hemiterpenos CHEBI:35188 hemiterpene hemiterpenes IUPAC Hemiterpen ChEBI hemiterpenes IUPAC hemiterpeno IUPAC hemiterpenos IUPAC A C15 terpene. sesquiterpenes chebi_ontology Sesquiterpen sesquiterpenes sesquiterpeno sesquiterpenos CHEBI:35189 sesquiterpene sesquiterpenes IUPAC Sesquiterpen ChEBI sesquiterpenes IUPAC sesquiterpeno IUPAC sesquiterpenos IUPAC A C20 terpene. diterpenes chebi_ontology Diterpen diterpenes diterpeno diterpenos CHEBI:35190 diterpene diterpenes IUPAC Diterpen ChEBI diterpenes IUPAC diterpeno IUPAC diterpenos IUPAC A C30 terpene. triterpenes chebi_ontology Triterpen triterpenes triterpeno triterpenos CHEBI:35191 triterpene triterpenes IUPAC Triterpen ChEBI triterpenes IUPAC triterpeno IUPAC triterpenos IUPAC A C40 terpene. tetraterpenes chebi_ontology tetraterpenes tetraterpeno tetraterpenos CHEBI:35193 tetraterpene tetraterpene tetraterpenes IUPAC tetraterpenes IUPAC tetraterpeno IUPAC tetraterpenos IUPAC A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. 0 C5H8 InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 RRHGJUQNOFWUDK-UHFFFAOYSA-N 68.11702 68.06260 CC(=C)C=C Beilstein:969158 CAS:78-79-5 Gmelin:1768 KEGG:C16521 MetaCyc:CPD-9436 PMID:17921528 PMID:19011917 PMID:8690002 Reaxys:969158 Wikipedia:Isoprene 2-methylbuta-1,3-diene isoprene chebi_ontology 2-Methyl-1,3-butadiene 2-methyl-1,3-butadiene 2-methylbutadiene 2-methyldivinyl CH2=C(CH3)CH=CH2 Isopren beta-methylbivinyl isopentadiene isopreno isoterpene CHEBI:35194 isoprene Beilstein:969158 Beilstein CAS:78-79-5 ChemIDplus CAS:78-79-5 KEGG COMPOUND CAS:78-79-5 NIST Chemistry WebBook Gmelin:1768 Gmelin PMID:17921528 Europe PMC PMID:19011917 Europe PMC PMID:8690002 Europe PMC Reaxys:969158 Reaxys 2-methylbuta-1,3-diene IUPAC isoprene IUPAC isoprene UniProt 2-Methyl-1,3-butadiene KEGG_COMPOUND 2-methyl-1,3-butadiene ChemIDplus 2-methylbutadiene NIST_Chemistry_WebBook 2-methyldivinyl ChemIDplus CH2=C(CH3)CH=CH2 IUPAC Isopren ChEBI beta-methylbivinyl NIST_Chemistry_WebBook isopentadiene NIST_Chemistry_WebBook isopreno IUPAC isoterpene ChEBI A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces. surfactant chebi_ontology surface active agent surfactants CHEBI:35195 surfactant surfactant IUPAC surface active agent IUPAC surfactants ChEBI chebi_ontology nitrogen oxides oxides of nitrogen CHEBI:35196 nitrogen oxide nitrogen oxides ChEBI oxides of nitrogen ChEBI chebi_ontology molybdenum coordination compounds molybdenum coordination entities CHEBI:35202 molybdenum coordination entity molybdenum coordination compounds ChEBI molybdenum coordination entities ChEBI A role played by a foreign substance mixed with or attached to a given substance to enable the distribution or location of the latter to be determined subsequently. tracer chebi_ontology CHEBI:35204 tracer tracer IUPAC A physical tracer is one that is attached by physical means to the object being traced. physical tracer chebi_ontology CHEBI:35208 physical tracer physical tracer IUPAC A role played by a part of a molecular entity distinguishable by the observer but not by the system and used to identify a tracer. label chebi_ontology CHEBI:35209 label label IUPAC CHEBI:26154 CHEBI:26156 chebi_ontology plant growth inhibitor plant growth inhibitors plant growth retardants CHEBI:35219 plant growth retardant plant growth inhibitor ChEBI plant growth inhibitors ChEBI plant growth retardants ChEBI A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. Wikipedia:Antimetabolite antimetabolite chebi_ontology antimetabolites CHEBI:35221 antimetabolite antimetabolite IUPAC antimetabolites ChEBI A substance that diminishes the rate of a chemical reaction. inhibitor chebi_ontology inhibidor inhibiteur inhibitors CHEBI:35222 inhibitor inhibitor IUPAC inhibidor ChEBI inhibiteur ChEBI inhibitors ChEBI A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction. catalyst chebi_ontology Katalysator catalizador catalyseur CHEBI:35223 catalyst catalyst IUPAC Katalysator ChEBI catalizador ChEBI catalyseur ChEBI A small molecule which increases (activator) or decreases (inhibitor) the activity of an (allosteric) enzyme by binding to the enzyme at the regulatory site (which is different from the substrate-binding catalytic site). Wikipedia:Effector_(biology) effector chebi_ontology enzyme modulator CHEBI:35224 effector effector IUPAC enzyme modulator ChEBI A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position. 0 C7H7NO2 InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 ZPTVNYMJQHSSEA-UHFFFAOYSA-N 137.13600 137.04768 Cc1ccc(cc1)[N+]([O-])=O CHEBI:20461 CHEBI:33097 CHEBI:34431 Beilstein:1906911 CAS:99-99-0 Gmelin:26926 KEGG:C14394 PMID:21895789 PMID:23389716 PMID:9139924 Reaxys:1906911 1-methyl-4-nitrobenzene 4-Nitrotoluene 4-nitrotoluene chebi_ontology 1-Methyl-4-nitrobenzene 4-Nitrotoluol 4-methylnitrobenzene PNT p-methylnitrobenzene p-nitrotoluene para-Nitrotoluol CHEBI:35227 4-nitrotoluene Beilstein:1906911 Beilstein CAS:99-99-0 ChemIDplus CAS:99-99-0 KEGG COMPOUND CAS:99-99-0 NIST Chemistry WebBook Gmelin:26926 Gmelin PMID:21895789 Europe PMC PMID:23389716 Europe PMC PMID:9139924 Europe PMC Reaxys:1906911 Reaxys 1-methyl-4-nitrobenzene IUPAC 4-Nitrotoluene KEGG_COMPOUND 4-nitrotoluene UniProt 1-Methyl-4-nitrobenzene KEGG_COMPOUND 4-Nitrotoluol ChemIDplus 4-methylnitrobenzene ChemIDplus PNT NIST_Chemistry_WebBook p-methylnitrobenzene ChemIDplus p-nitrotoluene ChemIDplus para-Nitrotoluol ChemIDplus A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth. fossil fuel chebi_ontology CHEBI:35230 fossil fuel fossil fuel IUPAC 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N 121.15922 121.01975 [NH3+][C@@H](CS)C([O-])=O Gmelin:49993 (2R)-2-ammonio-3-sulfanylpropanoate L-cysteine zwitterion chebi_ontology (2R)-2-ammonio-3-mercaptopropanoate L-cysteine CHEBI:35235 L-cysteine zwitterion Gmelin:49993 Gmelin (2R)-2-ammonio-3-sulfanylpropanoate IUPAC L-cysteine zwitterion IUPAC (2R)-2-ammonio-3-mercaptopropanoate ChEBI L-cysteine UniProt 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-N 121.15922 121.01975 [NH3+][C@H](CS)C([O-])=O Gmelin:2352354 (2S)-2-ammonio-3-sulfanylpropanoate D-cysteine zwitterion chebi_ontology (2S)-2-ammonio-3-mercaptopropanoate D-cysteine CHEBI:35236 D-cysteine zwitterion Gmelin:2352354 Gmelin (2S)-2-ammonio-3-sulfanylpropanoate IUPAC D-cysteine zwitterion IUPAC (2S)-2-ammonio-3-mercaptopropanoate ChEBI D-cysteine UniProt 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N 121.15922 121.01975 [NH3+]C(CS)C([O-])=O Gmelin:49992 2-ammonio-3-sulfanylpropanoate cysteine zwitterion chebi_ontology (+)H3N-CH(CH2SH)-COO(-) 2-ammonio-3-mercaptopropanoate CHEBI:35237 cysteine zwitterion Gmelin:49992 Gmelin 2-ammonio-3-sulfanylpropanoate IUPAC cysteine zwitterion IUPAC (+)H3N-CH(CH2SH)-COO(-) ChEBI 2-ammonio-3-mercaptopropanoate ChEBI The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group. amino acid zwitterion chebi_ontology CHEBI:35238 amino acid zwitterion amino acid zwitterion ChEBI A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. 0 CHCl3 InChI=1S/CHCl3/c2-1(3)4/h1H HEDRZPFGACZZDS-UHFFFAOYSA-N 119.37674 117.91438 [H]C(Cl)(Cl)Cl CHEBI:23143 CHEBI:34628 Beilstein:1731042 CAS:67-66-3 Drug_Central:4363 Gmelin:1837 HMDB:HMDB0029596 KEGG:C13827 LINCS:LSM-37229 MetaCyc:CPD-843 PDBeChem:MCH PMID:10379014 PMID:15583552 PMID:20051454 PMID:21850127 PMID:23093177 PMID:8476536 PMID:8625290 Reaxys:1731042 UM-BBD_compID:c0595 Wikipedia:Chloroform Chloroform chloroform chebi_ontology 1,1,1-trichloromethane CHCl3 Trichlormethan chloroforme chloroformium pro narcosi trichloromethane CHEBI:35255 chloroform Beilstein:1731042 ChemIDplus CAS:67-66-3 ChemIDplus CAS:67-66-3 KEGG COMPOUND CAS:67-66-3 NIST Chemistry WebBook Drug_Central:4363 DrugCentral Gmelin:1837 Gmelin PMID:10379014 Europe PMC PMID:15583552 Europe PMC PMID:20051454 Europe PMC PMID:21850127 Europe PMC PMID:23093177 Europe PMC PMID:8476536 Europe PMC PMID:8625290 Europe PMC Reaxys:1731042 Reaxys UM-BBD_compID:c0595 UM-BBD Chloroform KEGG_COMPOUND chloroform IUPAC 1,1,1-trichloromethane ChemIDplus CHCl3 IUPAC Trichlormethan NIST_Chemistry_WebBook chloroforme ChemIDplus chloroformium pro narcosi ChEBI trichloromethane ChEBI trichloromethane NIST_Chemistry_WebBook CHEBI:22721 chebi_ontology CHEBI:35259 benzofurans A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. +1 NR4 14.00670 14.00307 [*][N+]([*])([*])[*] CHEBI:26470 CHEBI:8693 KEGG:C06703 quaternary ammonium ion chebi_ontology Quaternary amine a quaternary ammonium quaternary ammonium quaternary ammonium ions CHEBI:35267 quaternary ammonium ion quaternary ammonium ion IUPAC Quaternary amine KEGG_COMPOUND a quaternary ammonium UniProt quaternary ammonium UniProt quaternary ammonium ions ChEBI Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. CHEBI:26468 CHEBI:35268 quaternary ammonium compounds quaternary ammonium salt chebi_ontology quaternary ammonium compound quaternary ammonium salts CHEBI:35273 quaternary ammonium salt quaternary ammonium compounds IUPAC quaternary ammonium salt ChEBI quaternary ammonium compound ChEBI quaternary ammonium salts ChEBI A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc). chebi_ontology ammonium ion derivatives ammonium ions azanium ion derivative azanium ion derivatives azanium ions CHEBI:35274 ammonium ion derivative ammonium ion derivatives ChEBI ammonium ions ChEBI azanium ion derivative ChEBI azanium ion derivatives ChEBI azanium ions ChEBI A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and a S atom bound to a carbon atom, thus creating a C-S bond. CHEBI:22048 CHEBI:33577 S-glycosyl compound chebi_ontology S-glycoside S-glycosides S-glycosyl compounds thioglycoside thioglycosides CHEBI:35275 S-glycosyl compound S-glycosyl compound ChEBI S-glycoside ChEBI S-glycosides ChEBI S-glycosyl compounds ChEBI thioglycoside JCBN thioglycosides JCBN Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups. azanium compounds chebi_ontology ammonium compounds CHEBI:35276 ammonium compound azanium compounds IUPAC ammonium compounds ChEBI ammonium compounds IUPAC Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. betaines chebi_ontology onium betaines CHEBI:35281 onium betaine betaines IUPAC onium betaines ChEBI Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. chebi_ontology ammonium betaines CHEBI:35284 ammonium betaine ammonium betaines ChEBI Cations of structure R2C=N(+)R2. iminium ion chebi_ontology iminium cations iminium ions CHEBI:35286 iminium ion iminium ion ChEBI iminium cations ChEBI iminium ions ChEBI A choline ester formed from choline and a carboxylic acid. +1 C6H13NO2R 131.17290 131.09463 C[N+](C)(C)CCOC([*])=O CHEBI:13245 CHEBI:22227 CHEBI:2463 KEGG:C01777 chebi_ontology acylcholines an acylcholine CHEBI:35287 acylcholine acylcholines ChEBI an acylcholine UniProt A dichlorobenzene carrying chloro substituents at positions 1 and 2. 0 C6H4Cl2 InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H RFFLAFLAYFXFSW-UHFFFAOYSA-N 147.00136 145.96901 Clc1ccccc1Cl CHEBI:32498 CHEBI:34045 Beilstein:606078 CAS:95-50-1 Gmelin:82493 KEGG:C14328 MetaCyc:O-DICHLOROBENZENE PDBeChem:YAN PMID:10048141 PMID:10698672 PMID:14168435 PMID:15792297 PMID:22165224 Reaxys:606078 Wikipedia:1,2-Dichlorobenzene 1,2-Dichlorobenzene 1,2-dichlorobenzene chebi_ontology 1,2-dichlorbenzene 2-dichlorobenzene ODB ODCB o-Dichlorobenzene o-dichlorbenzene o-dichlorbenzol o-dichlorobenzol ortho-dichlorobenzene orthodichlorobenzol CHEBI:35290 1,2-dichlorobenzene Beilstein:606078 Beilstein CAS:95-50-1 ChemIDplus CAS:95-50-1 KEGG COMPOUND CAS:95-50-1 NIST Chemistry WebBook Gmelin:82493 Gmelin PMID:10048141 Europe PMC PMID:10698672 Europe PMC PMID:14168435 Europe PMC PMID:15792297 Europe PMC PMID:22165224 Europe PMC Reaxys:606078 Reaxys 1,2-Dichlorobenzene KEGG_COMPOUND 1,2-dichlorobenzene IUPAC 1,2-dichlorbenzene NIST_Chemistry_WebBook 2-dichlorobenzene ChemIDplus ODB NIST_Chemistry_WebBook ODCB NIST_Chemistry_WebBook o-Dichlorobenzene KEGG_COMPOUND o-dichlorbenzene NIST_Chemistry_WebBook o-dichlorbenzol NIST_Chemistry_WebBook o-dichlorobenzol NIST_Chemistry_WebBook ortho-dichlorobenzene NIST_Chemistry_WebBook orthodichlorobenzol NIST_Chemistry_WebBook A retinoate that is the conjugate base of all-trans-retinoic acid. -1 C20H27O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+ SHGAZHPCJJPHSC-YCNIQYBTSA-M 299.42718 299.20165 CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O CHEBI:26535 MetaCyc:RETINOATE (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate all-trans-Retinoate all-trans-retinoate chebi_ontology Retinoate CHEBI:35291 all-trans-retinoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate IUPAC all-trans-Retinoate KEGG_COMPOUND all-trans-retinoate UniProt Retinoate KEGG_COMPOUND chebi_ontology fused compounds fused polycyclic compounds fused-ring polycyclic compound fused-ring polycyclic compounds polycyclic fused-ring compounds CHEBI:35293 fused compound fused compounds ChEBI fused polycyclic compounds ChEBI fused-ring polycyclic compound ChEBI fused-ring polycyclic compounds ChEBI polycyclic fused-ring compounds ChEBI A polyclic compound in which all of the ring members are carbon atoms. chebi_ontology carbopolycyclic compounds CHEBI:35294 carbopolycyclic compound carbopolycyclic compounds ChEBI chebi_ontology homopolycyclic compounds CHEBI:35295 homopolycyclic compound homopolycyclic compounds ChEBI chebi_ontology ortho-fused polycyclic arenes CHEBI:35296 ortho-fused polycyclic arene ortho-fused polycyclic arenes ChEBI A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement. 0 C10H8.(C4H2)n Wikipedia:Acene acene acenes chebi_ontology Acen Azen polyacenes CHEBI:35297 acene acene IUPAC acenes IUPAC Acen ChEBI Azen ChEBI polyacenes ChEBI An ortho-fused tricyclic hydrocarbon comprising three fused benzene rings. 0 C14H10 InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H MWPLVEDNUUSJAV-UHFFFAOYSA-N 178.22920 178.07825 c1ccc2cc3ccccc3cc2c1 CHEBI:29862 CHEBI:34538 CHEBI:40737 Beilstein:1905429 CAS:120-12-7 DrugBank:DB07372 Gmelin:67837 KEGG:C14315 PDBeChem:AN3 PMID:17257678 PMID:18565569 PMID:19162536 PMID:7561049 PPDB:40 Reaxys:1905429 Wikipedia:Anthracene ANTHRACENE Anthracene anthracene chebi_ontology Anthrazen CHEBI:35298 anthracene Beilstein:1905429 Beilstein CAS:120-12-7 ChemIDplus CAS:120-12-7 KEGG COMPOUND CAS:120-12-7 NIST Chemistry WebBook Gmelin:67837 Gmelin PMID:17257678 Europe PMC PMID:18565569 Europe PMC PMID:19162536 Europe PMC PMID:7561049 Europe PMC Reaxys:1905429 Reaxys ANTHRACENE PDBeChem Anthracene KEGG_COMPOUND anthracene IUPAC Anthrazen ChEBI chebi_ontology ortho- and peri-fused polycyclic arenes CHEBI:35300 ortho- and peri-fused polycyclic arene ortho- and peri-fused polycyclic arenes ChEBI pentoside chebi_ontology pentosides CHEBI:35312 pentoside pentoside ChEBI pentosides ChEBI hexoside chebi_ontology hexosides CHEBI:35313 hexoside hexoside ChEBI hexosides ChEBI deoxy hexoside chebi_ontology deoxy hexosides CHEBI:35315 deoxy hexoside deoxy hexoside ChEBI deoxy hexosides ChEBI +1 H5N2 InChI=1S/H4N2/c1-2/h1-2H2/p+1 OAKJQQAXSVQMHS-UHFFFAOYSA-O 33.05318 33.04472 N[NH3+] Gmelin:183 diazanium hydrazinium chebi_ontology H2NNH3(+) N2H5(+) CHEBI:35324 hydrazinium(1+) Gmelin:183 Gmelin diazanium IUPAC hydrazinium IUPAC H2NNH3(+) IUPAC N2H5(+) IUPAC +2 H6N2 InChI=1S/H6N2/c1-2/h1-2H3/q+2 DIDREYHESYMPRP-UHFFFAOYSA-N 34.06112 34.05200 [NH3+][NH3+] Gmelin:186 diazanediium hydrazinediium chebi_ontology H3NNH3(2+) CHEBI:35325 hydrazinium(2+) Gmelin:186 Gmelin diazanediium IUPAC hydrazinediium IUPAC H3NNH3(2+) IUPAC Any drug that enhances the activity of the central nervous system. Wikipedia:Central_nervous_system_stimulants central nervous system stimulant chebi_ontology CNS stimulant analeptic analeptic agent analeptic drug analeptics central stimulant CHEBI:35337 central nervous system stimulant central nervous system stimulant ChEBI CNS stimulant ChEBI analeptic ChEBI analeptic agent ChEBI analeptic drug ChEBI analeptics ChEBI central stimulant ChEBI Amines that constitute a class of central nervous system stimulants based on the structure of the parent amphetamine 1-phenylpropan-2-amine. chebi_ontology amphetamine drug CHEBI:35338 amphetamines amphetamine drug ChEBI A hydrochloride having methamphetamine as the base component. 0 C10H16ClN InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1 TWXDDNPPQUTEOV-FVGYRXGTSA-N 185.69400 185.09713 Cl.CN[C@@H](C)Cc1ccccc1 Beilstein:5125268 CAS:51-57-0 Reaxys:5125268 (2S)-N-methyl-1-phenylpropan-2-amine hydrochloride methamphetamine hydrochloride chebi_ontology (+)-N,alpha-dimethylphenethylamine hydrochloride (+)-methamphetamine hydrochloride (S)-(+)-methamphetamine hydrochloride d-methaphetamine hydrochloride methamphetamine hydrogen chloride methamphetaminium chloride CHEBI:35340 methamphetamine hydrochloride Beilstein:5125268 Beilstein CAS:51-57-0 ChemIDplus Reaxys:5125268 Reaxys (2S)-N-methyl-1-phenylpropan-2-amine hydrochloride IUPAC methamphetamine hydrochloride ChemIDplus (+)-N,alpha-dimethylphenethylamine hydrochloride ChemIDplus (+)-methamphetamine hydrochloride ChEBI (S)-(+)-methamphetamine hydrochloride ChEBI d-methaphetamine hydrochloride ChemIDplus methamphetamine hydrogen chloride ChEBI methamphetaminium chloride ChemIDplus Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene which is a triterpene. 0 C19H31R 259.450 259.24258 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C CHEBI:13687 CHEBI:26768 CHEBI:9263 KEGG:C00377 MetaCyc:Steroids Steroid steroids chebi_ontology a steroid CHEBI:35341 steroid Steroid KEGG_COMPOUND steroids IUPAC a steroid UniProt The alpha-stereoisomer of 17-hydroxy steroid. CHEBI:13585 CHEBI:19174 CHEBI:782 KEGG:C03336 chebi_ontology 17-alpha-Hydroxysteroid 17alpha-hydroxy steroids CHEBI:35342 17alpha-hydroxy steroid 17-alpha-Hydroxysteroid KEGG_COMPOUND 17alpha-hydroxy steroids ChEBI A 17-hydroxy steroid in which the hydroxy group at position 17 has a beta-configuration. 0 C18H29OR 261.423 261.22184 CC12CCC3C(CCC4CCCCC34[*])C1CC[C@@H]2O CHEBI:19176 CHEBI:794 KEGG:C03051 MetaCyc:17-beta-Hydroxysteroids chebi_ontology 17beta-hydroxy steroids 17beta-hydroxysteroid 17beta-hydroxysteroids a 17beta-hydroxy steroid CHEBI:35343 17beta-hydroxy steroid 17beta-hydroxy steroids ChEBI 17beta-hydroxysteroid KEGG_COMPOUND 17beta-hydroxysteroids ChEBI a 17beta-hydroxy steroid UniProt CHEBI:1300 CHEBI:13596 CHEBI:19803 KEGG:C02506 chebi_ontology 21-Hydroxysteroid 21-hydroxy steroids 21-hydroxysteroids CHEBI:35344 21-hydroxy steroid 21-Hydroxysteroid KEGG_COMPOUND 21-hydroxy steroids ChEBI 21-hydroxysteroids ChEBI Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration. 0 C19H31OR 275.450 275.23749 C12(CCCCC1CCC3C2[C@H](CC4(C3CCC4*)C)O)C CHEBI:13774 CHEBI:19134 CHEBI:738 KEGG:C01058 chebi_ontology 11beta-Hydroxysteroid 11beta-hydroxy steroids 11beta-hydroxysteroids an 11beta-hydroxysteroid CHEBI:35346 11beta-hydroxy steroid 11beta-Hydroxysteroid KEGG_COMPOUND 11beta-hydroxy steroids ChEBI 11beta-hydroxysteroids ChEBI an 11beta-hydroxysteroid UniProt A sterol in which the hydroxy group at position 3 has beta- configuration. 0 C19H31OR 275.450 275.23749 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C CHEBI:13609 CHEBI:1725 CHEBI:1726 CHEBI:20248 chebi_ontology 3beta-hydroxysteroids 3beta-sterols CHEBI:35348 3beta-sterol 3beta-hydroxysteroids ChEBI 3beta-sterols ChEBI CHEBI:24748 CHEBI:5814 KEGG:C02159 chebi_ontology Hydroxysteroid hydroxy steroids hydroxysteroids CHEBI:35350 hydroxy steroid Hydroxysteroid KEGG_COMPOUND hydroxy steroids ChEBI hydroxysteroids ChEBI Any heteroorganic entity containing at least one carbon-nitrogen bond. organonitrogen compounds chebi_ontology organonitrogens CHEBI:35352 organonitrogen compound organonitrogen compounds IUPAC organonitrogens ChEBI An imide in which the two acyl substituents on nitrogen are carboacyl groups. 0 C2NO2R3 70.027 69.99290 [*]N(C([*])=O)C([*])=O chebi_ontology dicarboximides CHEBI:35356 dicarboximide dicarboximides ChEBI An amide of a sulfonic acid RS(=O)2NR'2. 0 NO2SR3 78.07100 77.96497 [*]S(=O)(=O)N([*])[*] PMID:11498380 PMID:2434548 PMID:26811268 PMID:26832216 Wikipedia:Sulfonamide sulfonamides chebi_ontology sulfonamides CHEBI:35358 sulfonamide PMID:11498380 Europe PMC PMID:2434548 Europe PMC PMID:26811268 Europe PMC PMID:26832216 Europe PMC sulfonamides IUPAC sulfonamides ChEBI Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom. KEGG:C06060 carboxamidines chebi_ontology Amidines carboxamidines CHEBI:35359 carboxamidine carboxamidines IUPAC Amidines KEGG_COMPOUND carboxamidines ChEBI Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). hydrazides chebi_ontology hydrazides CHEBI:35362 hydrazide hydrazides IUPAC hydrazides ChEBI A hydrazide consisting of hydrazine carrying one or more carboacyl groups. 0 CN2OR4 56.024 56.00106 N(C(*)=O)(N(*)*)* carbohydrazides chebi_ontology carbohydrazides CHEBI:35363 carbohydrazide carbohydrazides IUPAC carbohydrazides ChEBI Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids. fatty acids http://langual.org 0 CHO2R 45.01740 44.99765 OC([*])=O CHEBI:13633 CHEBI:24024 CHEBI:4984 Codex::570 Europe::570 KEGG:C00162 PMID:14287444 PMID:14300208 PMID:14328676 Wikipedia:Fatty_acid http://www.langual.org/langual_thesaurus.asp?termid=B3098 Fatty acid fatty acids chebi_ontology Fettsaeure Fettsaeuren acide gras acides gras acido graso acidos grasos fatty acids CHEBI:35366 LanguaL term definition: Food additive; technological purpose(s): antifoaming agent. foam stabilizer, glazing agent. fatty acid PMID:14287444 Europe PMC PMID:14300208 Europe PMC PMID:14328676 Europe PMC Fatty acid KEGG_COMPOUND fatty acids IUPAC Fettsaeure ChEBI Fettsaeuren ChEBI acide gras ChEBI acides gras ChemIDplus acido graso ChEBI acidos grasos ChEBI fatty acids ChEBI chebi_ontology thiocarboxylates thiocarboxylic acid anions CHEBI:35367 thiocarboxylic acid anion thiocarboxylates ChEBI thiocarboxylic acid anions ChEBI Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group. CHEBI:25407 CHEBI:6984 KEGG:C06698 Monosaccharide monosaccharides chebi_ontology Monosaccharid Monosacharid monosacarido monosacaridos CHEBI:35381 monosaccharide monosaccharide Monosaccharide KEGG_COMPOUND monosaccharides IUPAC Monosaccharid ChEBI Monosacharid ChEBI monosacarido ChEBI monosacaridos IUPAC chromium oxoacid chebi_ontology chromium oxoacids oxoacids of chromium CHEBI:35401 chromium oxoacid chromium oxoacid ChEBI chromium oxoacids ChEBI oxoacids of chromium ChEBI chromium oxoanion chebi_ontology chromium oxoanions oxoanions of chromium CHEBI:35402 chromium oxoanion chromium oxoanion ChEBI chromium oxoanions ChEBI oxoanions of chromium ChEBI chebi_ontology chromium coordination compounds chromium coordination entities CHEBI:35403 chromium coordination entity chromium coordination compounds ChEBI chromium coordination entities ChEBI A chromium oxoanion resulting from the removal of two protons from chromic acid. -2 CrO4 InChI=1S/Cr.4O/q;;;2*-1 ZCDOYSPFYFSLEW-UHFFFAOYSA-N 115.99370 115.92126 [O-][Cr]([O-])(=O)=O CHEBI:23231 CHEBI:29393 CAS:11104-59-9 CAS:13907-45-4 Gmelin:2047 MetaCyc:CPD-4422 MolBase:125 PMID:21804974 PMID:22805940 PMID:23430150 UM-BBD_compID:c0803 Wikipedia:Chromate_and_dichromate chromate tetraoxidochromate(2-) tetraoxidochromate(VI) chebi_ontology CrO4(2-) [CrO4](2-) chromate chromate(VI) tetraoxochromate(2-) tetraoxochromate(VI) CHEBI:35404 chromate(2-) CAS:11104-59-9 ChemIDplus CAS:13907-45-4 ChemIDplus Gmelin:2047 Gmelin PMID:21804974 Europe PMC PMID:22805940 Europe PMC PMID:23430150 Europe PMC UM-BBD_compID:c0803 UM-BBD chromate IUPAC tetraoxidochromate(2-) IUPAC tetraoxidochromate(VI) IUPAC CrO4(2-) IUPAC [CrO4](2-) MolBase chromate UniProt chromate(VI) ChemIDplus tetraoxochromate(2-) IUPAC tetraoxochromate(VI) IUPAC chebi_ontology transition element oxoanions transition metal oxoanion transition metal oxoanions CHEBI:35405 transition element oxoanion transition element oxoanions ChEBI transition metal oxoanion ChEBI transition metal oxoanions ChEBI An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen. CHEBI:33274 CHEBI:33436 oxoanion chebi_ontology oxoacid anions oxoanions CHEBI:35406 oxoanion oxoanion ChEBI oxoacid anions ChEBI oxoanions ChEBI A primary diamine is a compound derived from a hydrocarbon by replacing two hydrogen atoms by amino groups. 0 H4N2R 32.045 32.03745 N[*]N CHEBI:26264 CHEBI:8408 KEGG:C02311 Primary diamine primary diamines chebi_ontology primary diamines CHEBI:35410 primary diamine Primary diamine KEGG_COMPOUND primary diamines IUPAC primary diamines ChEBI A primary diamine that is ethane or a higher alkane in which a hydrogen of each of the terminal methyl groups has been replaced by an amino group. H2NCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc. 0 (CH2)n.C2H8N2 H4N2(CH2)n CHEBI:10204 CHEBI:13775 CHEBI:13808 CHEBI:22316 CHEBI:2577 KEGG:C02896 KEGG:C03687 Alkane-alpha,omega-diamine chebi_ontology alkane-alpha,omega-diamines alpha,omega-Diamine CHEBI:35411 alkane-alpha,omega-diamine Alkane-alpha,omega-diamine KEGG_COMPOUND alkane-alpha,omega-diamines ChEBI alpha,omega-Diamine KEGG_COMPOUND ortho-fused bicyclic arene chebi_ontology ortho-fused bicyclic arenes CHEBI:35426 ortho-fused bicyclic arene ortho-fused bicyclic arene ChEBI ortho-fused bicyclic arenes ChEBI ortho-fused polycyclic hydrocarbon chebi_ontology ortho-fused polycyclic hydrocarbons CHEBI:35427 ortho-fused polycyclic hydrocarbon ortho-fused polycyclic hydrocarbon ChEBI ortho-fused polycyclic hydrocarbons ChEBI ortho-fused bicyclic hydrocarbon chebi_ontology ortho-fused bicyclic hydrocarbons CHEBI:35428 ortho-fused bicyclic hydrocarbon ortho-fused bicyclic hydrocarbon ChEBI ortho-fused bicyclic hydrocarbons ChEBI Any glucoside in which the glycoside group is derived from D-glucose. 0 C6H11O6R 179.148 179.05556 [C@@H]1(OC([C@H](O)[C@H]([C@@H]1O)O)O*)CO CHEBI:21009 CHEBI:4173 KEGG:C01798 D-Glucoside chebi_ontology D-glucosides a D-glucoside CHEBI:35436 D-glucoside D-Glucoside KEGG_COMPOUND D-glucosides ChEBI a D-glucoside UniProt nickel coordination entity chebi_ontology nickel coordination compounds nickel coordination entities CHEBI:35438 nickel coordination entity nickel coordination entity ChEBI nickel coordination compounds ChEBI nickel coordination entities ChEBI A substance used in the prophylaxis or therapy of infectious diseases. chebi_ontology anti-infective agents anti-infective drugs antiinfective agents antiinfective drug CHEBI:35441 antiinfective agent anti-infective agents ChEBI anti-infective drugs ChEBI antiinfective agents ChEBI antiinfective drug ChEBI A substance used to treat or prevent parasitic infections. Wikipedia:Antiparasitic chebi_ontology antiparasitic drugs antiparasitics parasiticides CHEBI:35442 antiparasitic agent antiparasitic drugs ChEBI antiparasitics ChEBI parasiticides ChEBI Substance intended to kill parasitic worms (helminths). anthelminthic chebi_ontology anthelminthics anthelmintic anthelmintics antihelminth antihelmintico vermifuge CHEBI:35443 anthelminthic drug anthelminthic IUPAC anthelminthics ChEBI anthelmintic IUPAC anthelmintics ChEBI antihelminth ChEBI antihelmintico ChEBI vermifuge ChEBI A substance used in the treatment or control of nematode infestations. chebi_ontology antinematodal agent antinematodal drugs antinematodals CHEBI:35444 antinematodal drug antinematodal agent ChEBI antinematodal drugs ChEBI antinematodals ChEBI A tetrachlorobiphenyl that is biphenyl in which both phenyl groups are substituted by chlorines at positions 3 and 5. 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H UTMWFJSRHLYRPY-UHFFFAOYSA-N 291.98684 289.92236 Clc1cc(Cl)cc(c1)-c1cc(Cl)cc(Cl)c1 Beilstein:1964690 CAS:33284-52-5 3,3',5,5'-tetrachloro-1,1'-biphenyl 3,3',5,5'-tetrachlorobiphenyl chebi_ontology 1,1'-Biphenyl, 3,3',5,5'-tetrachloro- 3,3',5,5'-tetrachlorodiphenyl 3,5,3',5'-tetrachlorobiphenyl CHEBI:35445 3,3',5,5'-tetrachlorobiphenyl Beilstein:1964690 Beilstein CAS:33284-52-5 ChemIDplus CAS:33284-52-5 NIST Chemistry WebBook 3,3',5,5'-tetrachloro-1,1'-biphenyl IUPAC 3,3',5,5'-tetrachlorobiphenyl ChemIDplus 1,1'-Biphenyl, 3,3',5,5'-tetrachloro- NIST_Chemistry_WebBook 3,3',5,5'-tetrachlorodiphenyl ChemIDplus 3,5,3',5'-tetrachlorobiphenyl ChemIDplus A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups. chebi_ontology chlorobiphenyls CHEBI:35446 chlorobiphenyl chlorobiphenyls ChEBI An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1). Wikipedia:ACE_inhibitor chebi_ontology ACE inhibitor ACE inhibitors DCP inhibitor DCP inhibitors EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitors EC 3.4.15.1 inhibitor EC 3.4.15.1 inhibitors PDH inhibitor PDH inhibitors angiotensin I-converting enzyme inhibitor angiotensin I-converting enzyme inhibitors angiotensin-converting enzyme inhibitor angiotensin-converting enzyme inhibitors carboxycathepsin inhibitor carboxycathepsin inhibitors dipeptidase inhibitor dipeptidase inhibitors dipeptide hydrolase inhibitor dipeptide hydrolase inhibitors dipeptidyl carboxypeptidase I inhibitor dipeptidyl carboxypeptidase I inhibitors dipeptidyl carboxypeptidase inhibitor dipeptidyl carboxypeptidase inhibitors endothelial cell peptidyl dipeptidase inhibitor endothelial cell peptidyl dipeptidase inhibitors kininase II inhibitor kininase II inhibitors peptidase P inhibitor peptidase P inhibitors peptidyl dipeptidase A inhibitor peptidyl dipeptidase A inhibitors peptidyl dipeptidase I inhibitor peptidyl dipeptidase I inhibitors peptidyl dipeptidase-4 inhibitor peptidyl dipeptidase-4 inhibitors peptidyl dipeptide hydrolase inhibitor peptidyl dipeptide hydrolase inhibitors peptidyl-dipeptidase A (EC 3.4.15.1) inhibitor peptidyl-dipeptidase A (EC 3.4.15.1) inhibitors peptidyl-dipeptidase A inhibitor peptidyl-dipeptidase A inhibitors peptidyl-dipeptide hydrolase inhibitor peptidyl-dipeptide hydrolase inhibitors peptidyldipeptide hydrolase inhibitor peptidyldipeptide hydrolase inhibitors CHEBI:35457 EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor ACE inhibitor ChEBI ACE inhibitors ChEBI DCP inhibitor ChEBI DCP inhibitors ChEBI EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitors ChEBI EC 3.4.15.1 inhibitor ChEBI EC 3.4.15.1 inhibitors ChEBI PDH inhibitor ChEBI PDH inhibitors ChEBI angiotensin I-converting enzyme inhibitor ChEBI angiotensin I-converting enzyme inhibitors ChEBI angiotensin-converting enzyme inhibitor ChEBI angiotensin-converting enzyme inhibitors ChEBI carboxycathepsin inhibitor ChEBI carboxycathepsin inhibitors ChEBI dipeptidase inhibitor ChEBI dipeptidase inhibitors ChEBI dipeptide hydrolase inhibitor ChEBI dipeptide hydrolase inhibitors ChEBI dipeptidyl carboxypeptidase I inhibitor ChEBI dipeptidyl carboxypeptidase I inhibitors ChEBI dipeptidyl carboxypeptidase inhibitor ChEBI dipeptidyl carboxypeptidase inhibitors ChEBI endothelial cell peptidyl dipeptidase inhibitor ChEBI endothelial cell peptidyl dipeptidase inhibitors ChEBI kininase II inhibitor ChEBI kininase II inhibitors ChEBI peptidase P inhibitor ChEBI peptidase P inhibitors ChEBI peptidyl dipeptidase A inhibitor ChEBI peptidyl dipeptidase A inhibitors ChEBI peptidyl dipeptidase I inhibitor ChEBI peptidyl dipeptidase I inhibitors ChEBI peptidyl dipeptidase-4 inhibitor ChEBI peptidyl dipeptidase-4 inhibitors ChEBI peptidyl dipeptide hydrolase inhibitor ChEBI peptidyl dipeptide hydrolase inhibitors ChEBI peptidyl-dipeptidase A (EC 3.4.15.1) inhibitor ChEBI peptidyl-dipeptidase A (EC 3.4.15.1) inhibitors ChEBI peptidyl-dipeptidase A inhibitor ChEBI peptidyl-dipeptidase A inhibitors ChEBI peptidyl-dipeptide hydrolase inhibitor ChEBI peptidyl-dipeptide hydrolase inhibitors ChEBI peptidyldipeptide hydrolase inhibitor ChEBI peptidyldipeptide hydrolase inhibitors ChEBI chebi_ontology CHEBI:35467 phosphorodiamide 0 H3N3 InChI=1S/H3N3/c1-3-2/h(H3,1,2) AYNNSCRYTDRFCP-UHFFFAOYSA-N 45.04404 45.03270 NN=N CAS:15056-34-5 Gmelin:49028 triaz-1-ene triazene chebi_ontology 1-triazene CHEBI:35468 triazene CAS:15056-34-5 ChemIDplus CAS:15056-34-5 NIST Chemistry WebBook Gmelin:49028 Gmelin triaz-1-ene IUPAC triazene NIST_Chemistry_WebBook 1-triazene ChemIDplus Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. chebi_ontology antidepressant drugs antidepressants thymoanaleptics thymoleptic drugs thymoleptics CHEBI:35469 antidepressant antidepressant drugs ChEBI antidepressants ChEBI thymoanaleptics ChEBI thymoleptic drugs ChEBI thymoleptics ChEBI A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. chebi_ontology CNS agent CNS drugs central nervous system agents CHEBI:35470 central nervous system drug CNS agent ChEBI CNS drugs ChEBI central nervous system agents ChEBI A loosely defined grouping of drugs that have effects on psychological function. Wikipedia:Psychotropic_drug chebi_ontology psychoactive agent psychoactive drugs psychopharmaceuticals psychotropic drugs CHEBI:35471 psychotropic drug psychoactive agent ChEBI psychoactive drugs ChEBI psychopharmaceuticals ChEBI psychotropic drugs ChEBI A substance that reduces or suppresses inflammation. chebi_ontology anti-inflammatory drugs antiinflammatory agent antiinflammatory drug antiinflammatory drugs CHEBI:35472 anti-inflammatory drug anti-inflammatory drugs ChEBI antiinflammatory agent ChEBI antiinflammatory drug ChEBI antiinflammatory drugs ChEBI A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour. chebi_ontology ataractics tranquilising drug tranquilizing drugs tranquillising agent tranquillizing agents CHEBI:35473 tranquilizing drug ataractics ChEBI tranquilising drug ChEBI tranquilizing drugs ChEBI tranquillising agent ChEBI tranquillizing agents ChEBI Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. chebi_ontology anti-anxiety agents anti-anxiety drugs anxiolytic agents anxiolytics minor tranquilisers minor tranquilizers minor tranquilizing agents CHEBI:35474 anxiolytic drug anti-anxiety agents ChEBI anti-anxiety drugs ChEBI anxiolytic agents ChEBI anxiolytics ChEBI minor tranquilisers ChEBI minor tranquilizers ChEBI minor tranquilizing agents ChEBI An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Wikipedia:Non-steroidal_anti-inflammatory_drug chebi_ontology NSAID NSAIDs non-steroidal anti-inflammatory agent non-steroidal anti-inflammatory drugs CHEBI:35475 non-steroidal anti-inflammatory drug NSAID ChEBI NSAIDs ChEBI non-steroidal anti-inflammatory agent ChEBI non-steroidal anti-inflammatory drugs ChEBI Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. chebi_ontology Neuroleptikum antipsychotic agents antipsychotic drug antipsychotic drugs antipsychotics antipsychotiques grosser Tranquilizer major tranquilizers major tranquilizing agents neuroleptic neuroleptic agents neuroleptics neuroleptique neuroleptiques CHEBI:35476 antipsychotic agent Neuroleptikum ChEBI antipsychotic agents ChEBI antipsychotic drug ChEBI antipsychotic drugs ChEBI antipsychotics ChEBI antipsychotiques ChEBI grosser Tranquilizer ChEBI major tranquilizers ChEBI major tranquilizing agents ChEBI neuroleptic ChEBI neuroleptic agents ChEBI neuroleptics ChEBI neuroleptique ChEBI neuroleptiques ChEBI Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders. chebi_ontology antimanic agent antimanic drugs antimanics CHEBI:35477 antimanic drug antimanic agent ChEBI antimanic drugs ChEBI antimanics ChEBI chebi_ontology Lithiumsalz Lithiumsalze lithium salts CHEBI:35478 lithium salt Lithiumsalz ChEBI Lithiumsalze ChEBI lithium salts ChEBI chebi_ontology alkali metal salts CHEBI:35479 alkali metal salt alkali metal salts ChEBI An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. chebi_ontology CHEBI:35480 analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. chebi_ontology CHEBI:35481 non-narcotic analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. chebi_ontology narcotic narcotic analgesic narcotic analgesics narcotics opioid analgesics CHEBI:35482 opioid analgesic narcotic ChEBI narcotic analgesic ChEBI narcotic analgesics ChEBI narcotics ChEBI opioid analgesics ChEBI chebi_ontology phthalate esters CHEBI:35484 phthalate ester phthalate esters ChEBI Compounds of the general formula ROOC-CH=CH-COOR' where R and R' are organyl groups chebi_ontology maleate esters CHEBI:35486 maleate ester maleate esters ChEBI An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of aldehyde dehydrogenase (NAD(+)), EC 1.2.1.3. Wikipedia:Aldehyde_dehydrogenase chebi_ontology CoA-independent aldehyde dehydrogenase inhibitor CoA-independent aldehyde dehydrogenase inhibitors EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitor EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitors EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitors EC 1.2.1.3 inhibitor EC 1.2.1.3 inhibitors NAD-aldehyde dehydrogenase inhibitor NAD-aldehyde dehydrogenase inhibitors NAD-dependent 4-hydroxynonenal dehydrogenase inhibitor NAD-dependent 4-hydroxynonenal dehydrogenase inhibitors NAD-dependent aldehyde dehydrogenase inhibitor NAD-dependent aldehyde dehydrogenase inhibitors NAD-linked aldehyde dehydrogenase inhibitor NAD-linked aldehyde dehydrogenase inhibitors aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitor aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitors aldehyde dehydrogenase (NAD(+)) inhibitor aldehyde dehydrogenase (NAD(+)) inhibitors aldehyde dehydrogenase (NAD) inhibitor aldehyde dehydrogenase (NAD) inhibitors aldehyde dehydrogenase inhibitor aldehyde dehydrogenase inhibitors m-methylbenzaldehyde dehydrogenase inhibitor m-methylbenzaldehyde dehydrogenase inhibitors propionaldehyde dehydrogenase inhibitor propionaldehyde dehydrogenase inhibitors CHEBI:35487 EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor CoA-independent aldehyde dehydrogenase inhibitor ChEBI CoA-independent aldehyde dehydrogenase inhibitors ChEBI EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitor ChEBI EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitors ChEBI EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitors ChEBI EC 1.2.1.3 inhibitor ChEBI EC 1.2.1.3 inhibitors ChEBI NAD-aldehyde dehydrogenase inhibitor ChEBI NAD-aldehyde dehydrogenase inhibitors ChEBI NAD-dependent 4-hydroxynonenal dehydrogenase inhibitor ChEBI NAD-dependent 4-hydroxynonenal dehydrogenase inhibitors ChEBI NAD-dependent aldehyde dehydrogenase inhibitor ChEBI NAD-dependent aldehyde dehydrogenase inhibitors ChEBI NAD-linked aldehyde dehydrogenase inhibitor ChEBI NAD-linked aldehyde dehydrogenase inhibitors ChEBI aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitor ChEBI aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitors ChEBI aldehyde dehydrogenase (NAD(+)) inhibitor ChEBI aldehyde dehydrogenase (NAD(+)) inhibitors ChEBI aldehyde dehydrogenase (NAD) inhibitor ChEBI aldehyde dehydrogenase (NAD) inhibitors ChEBI aldehyde dehydrogenase inhibitor ChEBI aldehyde dehydrogenase inhibitors ChEBI m-methylbenzaldehyde dehydrogenase inhibitor ChEBI m-methylbenzaldehyde dehydrogenase inhibitors ChEBI propionaldehyde dehydrogenase inhibitor ChEBI propionaldehyde dehydrogenase inhibitors ChEBI A loosely defined group of drugs that tend to reduce the activity of the central nervous system. chebi_ontology CNS depressants central nervous system depressants CHEBI:35488 central nervous system depressant CNS depressants ChEBI central nervous system depressants ChEBI Compounds of structure RSSR in which R and R' are organic groups. 0 S2R2 64.13000 63.94414 [*]SS[*] disulfides chebi_ontology an organic disulfide organic disulfides CHEBI:35489 organic disulfide disulfides IUPAC an organic disulfide UniProt organic disulfides ChEBI A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Wikipedia:Antipyretic chebi_ontology anti-pyretic CHEBI:35493 antipyretic anti-pyretic ChEBI Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. chebi_ontology CHEBI:35496 fluorobenzenes A compound which inhibits or antagonises the biosynthesis or actions of androgens. Wikipedia:Antiandrogen chebi_ontology antiandrogen CHEBI:35497 androgen antagonist antiandrogen ChEBI An agent that promotes the excretion of urine through its effects on kidney function. chebi_ontology diuretics CHEBI:35498 diuretic diuretics ChEBI Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking. chebi_ontology hallucinogenic agents hallucinogenic drugs hallucinogens psychedelic agents psychedelics CHEBI:35499 hallucinogen hallucinogenic agents ChEBI hallucinogenic drugs ChEBI hallucinogens ChEBI psychedelic agents ChEBI psychedelics ChEBI chebi_ontology 1,4-benzodiazepinones CHEBI:35500 1,4-benzodiazepinone 1,4-benzodiazepinones ChEBI An addition compound contains two or more simpler compounds that can be packed in a definite ratio into a crystal. The term covers donor-acceptor complexes (adducts) and a variety of lattice compounds. chebi_ontology addition compounds CHEBI:35504 addition compound addition compounds ChEBI An addition compound that contains water in weak chemical combination with another compound. chebi_ontology Hydrat hidrato hidratos hydrates CHEBI:35505 hydrate Hydrat ChEBI hidrato ChEBI hidratos ChEBI hydrates ChEBI chebi_ontology alkaloid fundamental parents CHEBI:35506 alkaloid fundamental parent alkaloid fundamental parents ChEBI natural product fundamental parents chebi_ontology CHEBI:35507 natural product fundamental parent natural product fundamental parents IUPAC chebi_ontology steroid fundamental parents CHEBI:35508 steroid fundamental parent steroid fundamental parents ChEBI 0 C19H32 InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1 QZLYKIGBANMMBK-FZFXZXLVSA-N 260.45738 260.25040 [H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H] Beilstein:5247532 CAS:24887-75-0 LIPID_MAPS_instance:LMST02020000 androstane chebi_ontology CHEBI:35509 androstane Beilstein:5247532 Beilstein CAS:24887-75-0 ChemIDplus LIPID_MAPS_instance:LMST02020000 LIPID MAPS androstane IUPAC aluminium salt chebi_ontology aluminium salts CHEBI:35510 aluminium salt aluminium salt ChEBI aluminium salts ChEBI 0 C27H48 InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1 XIIAYQZJNBULGD-LDHZKLTISA-N 372.67002 372.37560 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C Beilstein:5334741 CAS:14982-53-7 LIPID_MAPS_instance:LMST01010000 Wikipedia:Cholestane cholestane chebi_ontology CHEBI:35516 cholestane Beilstein:5334741 Beilstein CAS:14982-53-7 ChemIDplus CAS:14982-53-7 NIST Chemistry WebBook LIPID_MAPS_instance:LMST01010000 LIPID MAPS cholestane IUPAC 0 C27H48 InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 XIIAYQZJNBULGD-CJPSHIORSA-N 372.67002 372.37560 [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCCC(C)C Beilstein:2051807 CAS:481-20-9 LIPID_MAPS_instance:LMST01010085 5beta-cholestane chebi_ontology (5beta)-cholestane beta-cholestane coprostane pseudocholestane CHEBI:35517 5beta-cholestane Beilstein:2051807 Beilstein CAS:481-20-9 NIST Chemistry WebBook LIPID_MAPS_instance:LMST01010085 LIPID MAPS 5beta-cholestane IUPAC (5beta)-cholestane ChEBI beta-cholestane NIST_Chemistry_WebBook coprostane NIST_Chemistry_WebBook pseudocholestane NIST_Chemistry_WebBook 0 C24H42 InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1 QSHQKIURKJITMZ-BRPMRXRMSA-N 330.59028 330.32865 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC cholane chebi_ontology CHEBI:35519 cholane cholane IUPAC An agent that selectively binds to and activates beta-adrenergic receptors. chebi_ontology beta-adrenergic agonists beta-adrenergic receptor agonist beta-adrenoceptor agonists CHEBI:35522 beta-adrenergic agonist true beta-adrenergic agonists ChEBI beta-adrenergic receptor agonist ChEBI beta-adrenoceptor agonists IUPHAR An agent that causes an increase in the expansion of a bronchus or bronchial tubes. chebi_ontology bronchodilator bronchodilator agents broncholytic agent CHEBI:35523 bronchodilator agent bronchodilator ChEBI bronchodilator agents ChEBI broncholytic agent ChEBI A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. chebi_ontology sympathomimetic sympathomimetics CHEBI:35524 sympathomimetic agent sympathomimetic ChEBI sympathomimetics ChEBI A drug which lowers the blood glucose level. chebi_ontology antidiabetic antihyperglycemic antihyperglycemic agent antihyperglycemic agents antihyperglycemic drug antihyperglycemic drugs antihyperglycemics hypoglycemic agents hypoglycemic drug hypoglycemic drugs CHEBI:35526 hypoglycemic agent antidiabetic ChEBI antihyperglycemic ChEBI antihyperglycemic agent ChEBI antihyperglycemic agents ChEBI antihyperglycemic drug ChEBI antihyperglycemic drugs ChEBI antihyperglycemics ChEBI hypoglycemic agents ChEBI hypoglycemic drug ChEBI hypoglycemic drugs ChEBI An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. chebi_ontology beta-adrenergic antagonists beta-adrenergic blocker beta-adrenergic blockers beta-adrenergic receptor blockaders beta-adrenoceptor antagonists beta-blocker beta-blockers CHEBI:35530 beta-adrenergic antagonist beta-adrenergic antagonists ChEBI beta-adrenergic blocker ChEBI beta-adrenergic blockers ChEBI beta-adrenergic receptor blockaders ChEBI beta-adrenoceptor antagonists IUPHAR beta-blocker ChEBI beta-blockers ChEBI propanolamine chebi_ontology propanolamines CHEBI:35533 propanolamine propanolamine ChEBI propanolamines ChEBI 0 C23H36O2 InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16-,17-,18+,19+,20-,22-,23+/m0/s1 AQARKTASOBROAE-KPSWSRIPSA-N 344.53074 344.27153 [H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C 5beta-cardanolide chebi_ontology CHEBI:35542 5beta-cardanolide 5beta-cardanolide IUPAC 0 C23H36O2 InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1 AQARKTASOBROAE-OCYOQFCJSA-N 344.53074 344.27153 [H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C cardanolide chebi_ontology CHEBI:35543 cardanolide cardanolide IUPAC A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. chebi_ontology (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors (PG)H synthase inhibitor (PG)H synthase inhibitors COX inhibitor EC 1.14.99.1 (cyclooxygenase) inhibitor EC 1.14.99.1 (cyclooxygenase) inhibitors EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors EC 1.14.99.1 inhibitor EC 1.14.99.1 inhibitors PG synthetase inhibitor PG synthetase inhibitors cyclooxygenase (EC 1.14.99.1) inhibitor cyclooxygenase (EC 1.14.99.1) inhibitors cyclooxygenase inhibitor cyclooxygenase inhibitors fatty acid cyclooxygenase inhibitor fatty acid cyclooxygenase inhibitors prostaglandin G/H synthase inhibitor prostaglandin G/H synthase inhibitors prostaglandin endoperoxide synthetase inhibitor prostaglandin endoperoxide synthetase inhibitors prostaglandin synthase inhibitor prostaglandin synthase inhibitors prostaglandin synthetase inhibitor prostaglandin synthetase inhibitors CHEBI:35544 EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor ChEBI (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors ChEBI (PG)H synthase inhibitor ChEBI (PG)H synthase inhibitors ChEBI COX inhibitor ChEBI EC 1.14.99.1 (cyclooxygenase) inhibitor ChEBI EC 1.14.99.1 (cyclooxygenase) inhibitors ChEBI EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors ChEBI EC 1.14.99.1 inhibitor ChEBI EC 1.14.99.1 inhibitors ChEBI PG synthetase inhibitor ChEBI PG synthetase inhibitors ChEBI cyclooxygenase (EC 1.14.99.1) inhibitor ChEBI cyclooxygenase (EC 1.14.99.1) inhibitors ChEBI cyclooxygenase inhibitor ChEBI cyclooxygenase inhibitors ChEBI fatty acid cyclooxygenase inhibitor ChEBI fatty acid cyclooxygenase inhibitors ChEBI prostaglandin G/H synthase inhibitor ChEBI prostaglandin G/H synthase inhibitors ChEBI prostaglandin endoperoxide synthetase inhibitor ChEBI prostaglandin endoperoxide synthetase inhibitors ChEBI prostaglandin synthase inhibitor ChEBI prostaglandin synthase inhibitors ChEBI prostaglandin synthetase inhibitor ChEBI prostaglandin synthetase inhibitors ChEBI 0 C10H8N2 156.184 156.06875 bipyridine chebi_ontology Bipyridin bipyridyl CHEBI:35545 bipyridine bipyridine IUPAC Bipyridin ChEBI bipyridyl IUPAC A fluoroalkanoic acid that is perfluorinated decanoic acid. 0 C10HF19O2 InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31) PCIUEQPBYFRTEM-UHFFFAOYSA-N 514.08340 513.96731 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1810811 CAS:335-76-2 Gmelin:35659 PMID:24367824 PMID:24582365 PMID:24630253 Reaxys:1810811 nonadecafluorodecanoic acid perfluorodecanoic acid chebi_ontology 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid Ndfda PFDA nonadecafluoro-n-decanoic acid perfluoro-n-decanoic acid CHEBI:35546 perfluorodecanoic acid Beilstein:1810811 ChemIDplus CAS:335-76-2 ChemIDplus CAS:335-76-2 NIST Chemistry WebBook Gmelin:35659 Gmelin PMID:24367824 Europe PMC PMID:24582365 Europe PMC PMID:24630253 Europe PMC Reaxys:1810811 Reaxys nonadecafluorodecanoic acid IUPAC perfluorodecanoic acid ChemIDplus 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid NIST_Chemistry_WebBook Ndfda ChemIDplus PFDA ChemIDplus nonadecafluoro-n-decanoic acid ChemIDplus perfluoro-n-decanoic acid ChemIDplus A fluoroalkanoic acid that is perfluorinated heptanoic acid. 0 C7HF13O2 InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22) ZWBAMYVPMDSJGQ-UHFFFAOYSA-N 364.06090 363.97690 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1808210 CAS:375-85-9 Gmelin:589811 PMID:24316529 PMID:24429974 PMID:24756670 Reaxys:1808210 perfluoroheptanoic acid tridecafluoroheptanoic acid chebi_ontology perfluoro-n-heptanoic acid tridecafluoro-1-heptanoic acid CHEBI:35547 perfluoroheptanoic acid Beilstein:1808210 Beilstein CAS:375-85-9 ChemIDplus Gmelin:589811 Gmelin PMID:24316529 Europe PMC PMID:24429974 Europe PMC PMID:24756670 Europe PMC Reaxys:1808210 Reaxys perfluoroheptanoic acid ChemIDplus tridecafluoroheptanoic acid IUPAC perfluoro-n-heptanoic acid ChemIDplus tridecafluoro-1-heptanoic acid ChemIDplus A fluoroalkanoic acid that is perfluorinated octanoic acid. 0 C8HF15O2 InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) SNGREZUHAYWORS-UHFFFAOYSA-N 414.06840 413.97370 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1809678 CAS:335-67-1 Gmelin:34320 PMID:16020091 PMID:18467677 Reaxys:1809678 Wikipedia:Perfluorooctanoic_acid pentadecafluorooctanoic acid perfluorooctanoic acid chebi_ontology 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid PFOA pentadecafluoro-1-octanoic acid pentadecafluoro-n-octanoic acid perfluoro-n-octanoic acid perfluorocaprylic acid perfluoroheptanecarboxylic acid perfluorooctylcarboxylic acid CHEBI:35549 perfluorooctanoic acid Beilstein:1809678 ChemIDplus CAS:335-67-1 ChemIDplus CAS:335-67-1 NIST Chemistry WebBook Gmelin:34320 Gmelin PMID:16020091 Europe PMC PMID:18467677 Europe PMC Reaxys:1809678 Reaxys pentadecafluorooctanoic acid IUPAC perfluorooctanoic acid ChemIDplus 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid NIST_Chemistry_WebBook PFOA ChemIDplus pentadecafluoro-1-octanoic acid ChemIDplus pentadecafluoro-n-octanoic acid ChemIDplus perfluoro-n-octanoic acid NIST_Chemistry_WebBook perfluorocaprylic acid ChemIDplus perfluoroheptanecarboxylic acid ChemIDplus perfluorooctylcarboxylic acid ChEBI 0 C2H3N3 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) NSPMIYGKQJPBQR-UHFFFAOYSA-N 69.06544 69.03270 c1nc[nH]n1 Beilstein:104767 CAS:288-88-0 Gmelin:122679 1H-1,2,4-triazole chebi_ontology s-Triazole CHEBI:35550 1H-1,2,4-triazole Beilstein:104767 Beilstein CAS:288-88-0 NIST Chemistry WebBook Gmelin:122679 Gmelin 1H-1,2,4-triazole IUPAC s-Triazole NIST_Chemistry_WebBook Any organofluorine compound that is the perfluorinated derivative of any alkanoic acid. chebi_ontology fluoroalkanoic acids CHEBI:35551 fluoroalkanoic acid fluoroalkanoic acids ChEBI heterocyclic parent hydrides chebi_ontology heterocyclic fundamental parent heterocyclic organic fundamental parents organic heterocyclic fundamental parents CHEBI:35552 heterocyclic organic fundamental parent heterocyclic parent hydrides IUPAC heterocyclic fundamental parent ChEBI heterocyclic organic fundamental parents ChEBI organic heterocyclic fundamental parents ChEBI A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. chebi_ontology cardiovascular agent cardiovascular drugs CHEBI:35554 cardiovascular drug cardiovascular agent ChEBI cardiovascular drugs ChEBI chebi_ontology mancude organic heteromonocyclic parents mancude-ring organic heteromonocyclic parents CHEBI:35555 mancude organic heteromonocyclic parent mancude organic heteromonocyclic parents ChEBI mancude-ring organic heteromonocyclic parents ChEBI A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid. 0 C4H4O InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H YLQBMQCUIZJEEH-UHFFFAOYSA-N 68.07400 68.02621 c1ccoc1 CHEBI:30855 CHEBI:34767 Beilstein:103221 CAS:110-00-9 Gmelin:25716 HMDB:HMDB0013785 KEGG:C14275 LINCS:LSM-37156 PMID:16006568 PMID:17224250 PMID:22079235 PMID:22542513 PMID:22641279 PMID:22865590 PMID:9169064 Reaxys:103221 Wikipedia:Furan Furan furan chebi_ontology 1,4-epoxy-1,3-butadiene divinylene oxide furane oxacyclopentadiene oxole tetrole CHEBI:35559 furan Beilstein:103221 Beilstein CAS:110-00-9 ChemIDplus CAS:110-00-9 KEGG COMPOUND CAS:110-00-9 NIST Chemistry WebBook Gmelin:25716 Gmelin PMID:16006568 Europe PMC PMID:17224250 Europe PMC PMID:22079235 Europe PMC PMID:22542513 Europe PMC PMID:22641279 Europe PMC PMID:22865590 Europe PMC PMID:9169064 Europe PMC Reaxys:103221 Reaxys Furan KEGG_COMPOUND furan IUPAC 1,4-epoxy-1,3-butadiene ChemIDplus divinylene oxide ChemIDplus furane NIST_Chemistry_WebBook oxacyclopentadiene ChemIDplus oxole NIST_Chemistry_WebBook tetrole ChemIDplus 0 C2H3N3 69.065 69.03270 DrugBank:DB03594 1,2,4-triazole chebi_ontology CHEBI:35560 1,2,4-triazole 1,2,4-triazole IUPAC 0 C2H3N3 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2 FFGRBWANQMLTQI-UHFFFAOYSA-N 69.06544 69.03270 C1N=CN=N1 Beilstein:506536 Gmelin:362238 3H-1,2,4-triazole chebi_ontology CHEBI:35561 3H-1,2,4-triazole Beilstein:506536 Beilstein Gmelin:362238 Gmelin 3H-1,2,4-triazole IUPAC Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds. mancude-ring systems chebi_ontology mancude rings mancunide-ring systems CHEBI:35568 mancude ring mancude-ring systems IUPAC mancude rings ChEBI mancunide-ring systems IUPAC An agent that selectively binds to and activates alpha-adrenergic receptors. chebi_ontology alpha-adrenergic agonists alpha-adrenergic receptor agonist alpha-adrenoceptor agonists CHEBI:35569 alpha-adrenergic agonist alpha-adrenergic agonists ChEBI alpha-adrenergic receptor agonist ChEBI alpha-adrenoceptor agonists IUPHAR chebi_ontology mancude organic heterobicyclic parents mancude-ring organic heterobicyclic parents CHEBI:35570 mancude organic heterobicyclic parent mancude organic heterobicyclic parents ChEBI mancude-ring organic heterobicyclic parents ChEBI chebi_ontology mancude organic heterocyclic parents mancude-ring organic heterocyclic parents CHEBI:35571 mancude organic heterocyclic parent mancude organic heterocyclic parents ChEBI mancude-ring organic heterocyclic parents ChEBI chebi_ontology organic mancude parents organic mancude-ring parents CHEBI:35573 organic mancude parent organic mancude parents ChEBI organic mancude-ring parents ChEBI N-oxide chebi_ontology N-oxides CHEBI:35580 N-oxide N-oxide ChEBI N-oxides ChEBI A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines. 0 C5H4N4 120.112 120.04360 HMDB:HMDB0001366 KEGG:C15587 MetaCyc:PURINE PMID:12865945 PMID:24088627 purine chebi_ontology CHEBI:35584 purine PMID:12865945 Europe PMC PMID:24088627 Europe PMC purine IUPAC The 1H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11210 120.04360 c1nc2c[nH]cnc2n1 Gmelin:2379911 1H-purine chebi_ontology CHEBI:35586 1H-purine Gmelin:2379911 Gmelin 1H-purine ChEBI The 3H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11222 120.04360 c1nc2cnc[nH]c2n1 PMID:6149478 PMID:7178185 PMID:7296170 Reaxys:1210196 3H-purine chebi_ontology CHEBI:35588 3H-purine PMID:6149478 Europe PMC PMID:7178185 Europe PMC PMID:7296170 Europe PMC Reaxys:1210196 Reaxys 3H-purine IUPAC The 9H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11222 120.04360 c1ncc2nc[nH]c2n1 Beilstein:606899 CAS:120-73-0 Gmelin:3120 Wikipedia:Purine 9H-purine chebi_ontology CHEBI:35589 9H-purine Beilstein:606899 Beilstein CAS:120-73-0 NIST Chemistry WebBook Gmelin:3120 Gmelin 9H-purine IUPAC 9H-purine UniProt A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n. carbon oxoanion chebi_ontology carbon oxoanions oxocarbon anion oxocarbon anions CHEBI:35604 carbon oxoanion carbon oxoanion ChEBI carbon oxoanions ChEBI oxocarbon anion ChEBI oxocarbon anions ChEBI chebi_ontology carbon oxoacids oxoacids of carbon CHEBI:35605 carbon oxoacid carbon oxoacids ChEBI oxoacids of carbon ChEBI An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins. Wikipedia:Protein-tyrosine-phosphatase chebi_ontology EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitors EC 3.1.3.48 inhibitor EC 3.1.3.48 inhibitors PPT-phosphatase inhibitor PPT-phosphatase inhibitors PTP-phosphatase inhibitor PTP-phosphatase inhibitors PTPase inhibitor PTPase inhibitors [phosphotyrosine]protein phosphatase inhibitor [phosphotyrosine]protein phosphatase inhibitors phosphoprotein phosphatase (phosphotyrosine) inhibitor phosphoprotein phosphatase (phosphotyrosine) inhibitors phosphotyrosine histone phosphatase inhibitor phosphotyrosine histone phosphatase inhibitors phosphotyrosine phosphatase inhibitor phosphotyrosine phosphatase inhibitors phosphotyrosine protein phosphatase inhibitor phosphotyrosine protein phosphatase inhibitors phosphotyrosylprotein phosphatase inhibitor phosphotyrosylprotein phosphatase inhibitors protein phosphotyrosine phosphatase inhibitor protein phosphotyrosine phosphatase inhibitors protein tyrosine phosphatase inhibitor protein tyrosine phosphatase inhibitors protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitor protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitors protein-tyrosine-phosphatase inhibitor protein-tyrosine-phosphatase inhibitors protein-tyrosine-phosphate phosphohydrolase inhibitor protein-tyrosine-phosphate phosphohydrolase inhibitors tyrosine O-phosphate phosphatase inhibitor tyrosine O-phosphate phosphatase inhibitors tyrosylprotein phosphatase inhibitor tyrosylprotein phosphatase inhibitors CHEBI:35608 EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitors ChEBI EC 3.1.3.48 inhibitor ChEBI EC 3.1.3.48 inhibitors ChEBI PPT-phosphatase inhibitor ChEBI PPT-phosphatase inhibitors ChEBI PTP-phosphatase inhibitor ChEBI PTP-phosphatase inhibitors ChEBI PTPase inhibitor ChEBI PTPase inhibitors ChEBI [phosphotyrosine]protein phosphatase inhibitor ChEBI [phosphotyrosine]protein phosphatase inhibitors ChEBI phosphoprotein phosphatase (phosphotyrosine) inhibitor ChEBI phosphoprotein phosphatase (phosphotyrosine) inhibitors ChEBI phosphotyrosine histone phosphatase inhibitor ChEBI phosphotyrosine histone phosphatase inhibitors ChEBI phosphotyrosine phosphatase inhibitor ChEBI phosphotyrosine phosphatase inhibitors ChEBI phosphotyrosine protein phosphatase inhibitor ChEBI phosphotyrosine protein phosphatase inhibitors ChEBI phosphotyrosylprotein phosphatase inhibitor ChEBI phosphotyrosylprotein phosphatase inhibitors ChEBI protein phosphotyrosine phosphatase inhibitor ChEBI protein phosphotyrosine phosphatase inhibitors ChEBI protein tyrosine phosphatase inhibitor ChEBI protein tyrosine phosphatase inhibitors ChEBI protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitor ChEBI protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitors ChEBI protein-tyrosine-phosphatase inhibitor ChEBI protein-tyrosine-phosphatase inhibitors ChEBI protein-tyrosine-phosphate phosphohydrolase inhibitor ChEBI protein-tyrosine-phosphate phosphohydrolase inhibitors ChEBI tyrosine O-phosphate phosphatase inhibitor ChEBI tyrosine O-phosphate phosphatase inhibitors ChEBI tyrosylprotein phosphatase inhibitor ChEBI tyrosylprotein phosphatase inhibitors ChEBI A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. 0 C21H25ClN2O3 InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) ZKLPARSLTMPFCP-UHFFFAOYSA-N 388.88800 388.15537 OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 CAS:83881-51-0 DrugBank:DB00341 Drug_Central:581 HMDB:HMDB0005032 KEGG:C07778 KEGG:D07662 LINCS:LSM-1544 PMID:15850951 PMID:20455340 PMID:8103703 Reaxys:7227333 Wikipedia:Cetirizine (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid chebi_ontology Cetirizin cetirizina cetirizine cetirizinum CHEBI:3561 cetirizine CAS:83881-51-0 ChemIDplus CAS:83881-51-0 KEGG COMPOUND Drug_Central:581 DrugCentral PMID:15850951 Europe PMC PMID:20455340 Europe PMC PMID:8103703 Europe PMC Reaxys:7227333 Reaxys (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid IUPAC Cetirizin ChEBI cetirizina ChemIDplus cetirizine ChEBI cetirizine KEGG_DRUG cetirizinum ChemIDplus A substance that inhibits or prevents the proliferation of neoplasms. chebi_ontology anticancer agent anticancer agents antineoplastic antineoplastic agents cytostatic CHEBI:35610 antineoplastic agent anticancer agent ChEBI anticancer agents ChEBI antineoplastic ChEBI antineoplastic agents ChEBI cytostatic ChEBI 0 C8H15N InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+ XLRPYZSEQKXZAA-OCAPTIKFSA-N 125.21144 125.12045 CN1[C@H]2CCC[C@@H]1CC2 Beilstein:6379695 CAS:529-17-9 tropane chebi_ontology (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane 1alphaH,5alphaH-tropane 2,3-dihydro-8-methylnortropidine N-methyl-8-azabicyclo[3.2.1]octane CHEBI:35615 tropane Beilstein:6379695 Beilstein CAS:529-17-9 ChemIDplus CAS:529-17-9 NIST Chemistry WebBook tropane IUPAC (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane IUPAC 1alphaH,5alphaH-tropane NIST_Chemistry_WebBook 2,3-dihydro-8-methylnortropidine NIST_Chemistry_WebBook N-methyl-8-azabicyclo[3.2.1]octane NIST_Chemistry_WebBook A food additive that is used to added improve the taste or odour of a food. chebi_ontology flavoring agent flavoring agents flavour enhancer flavour enhancers flavouring agents CHEBI:35617 flavouring agent flavoring agent ChEBI flavoring agents ChEBI flavour enhancer ChEBI flavour enhancers ChEBI flavouring agents ChEBI Any ether in which the oxygen is attached to at least one aryl substituent. chebi_ontology CHEBI:35618 aromatic ether A drug used to cause dilation of the blood vessels. chebi_ontology vasodilator vasodilator agents CHEBI:35620 vasodilator agent vasodilator ChEBI vasodilator agents ChEBI chebi_ontology thiazolidine CHEBI:35622 thiazolidines thiazolidine ChEBI A drug used to prevent seizures or reduce their severity. chebi_ontology Antiepileptika Antiepileptikum Antikonvulsiva Antikonvulsivum anti-convulsant anti-convulsants anti-convulsive agent anti-convulsive agents anticonvulsants anticonvulsive agent anticonvulsive agents antiepileptic antiepileptics antiepileptique antiepileptiques CHEBI:35623 anticonvulsant Antiepileptika ChEBI Antiepileptikum ChEBI Antikonvulsiva ChEBI Antikonvulsivum ChEBI anti-convulsant ChEBI anti-convulsants ChEBI anti-convulsive agent ChEBI anti-convulsive agents ChEBI anticonvulsants ChEBI anticonvulsive agent ChEBI anticonvulsive agents ChEBI antiepileptic ChEBI antiepileptics ChEBI antiepileptique ChEBI antiepileptiques ChEBI An azaspiro compound is a spiro compound in which at least one of the cyclic components is a nitrogen heterocyle. azaspiro compound chebi_ontology azaspiro compounds CHEBI:35624 azaspiro compound azaspiro compound ChEBI azaspiro compounds ChEBI An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of beta-lactamase (EC 3.5.2.6). chebi_ontology EC 3.5.2.6 (beta-lactamase) inhibitors EC 3.5.2.6 inhibitor EC 3.5.2.6 inhibitors ampicillinase inhibitor ampicillinase inhibitors beta-lactam hydrolase inhibitor beta-lactam hydrolase inhibitors beta-lactamase (EC 3.5.2.6) inhibitor beta-lactamase (EC 3.5.2.6) inhibitors beta-lactamase A, B, C inhibitor beta-lactamase A, B, C inhibitors beta-lactamase AME I inhibitor beta-lactamase AME I inhibitors beta-lactamase I-III inhibitor beta-lactamase I-III inhibitors beta-lactamase inhibitor beta-lactamase inhibitors cephalosporin-beta-lactamase inhibitor cephalosporin-beta-lactamase inhibitors cephalosporinase inhibitor cephalosporinase inhibitors exopenicillinase inhibitor exopenicillinase inhibitors neutrapen inhibitor neutrapen inhibitors penicillin amido-beta-lactamhydrolase inhibitor penicillin amido-beta-lactamhydrolase inhibitors penicillin beta-lactamase inhibitor penicillin beta-lactamase inhibitors penicillinase I, II inhibitor penicillinase I, II inhibitors penicillinase inhibitor penicillinase inhibitors CHEBI:35625 EC 3.5.2.6 (beta-lactamase) inhibitor EC 3.5.2.6 (beta-lactamase) inhibitors ChEBI EC 3.5.2.6 inhibitor ChEBI EC 3.5.2.6 inhibitors ChEBI ampicillinase inhibitor ChEBI ampicillinase inhibitors ChEBI beta-lactam hydrolase inhibitor ChEBI beta-lactam hydrolase inhibitors ChEBI beta-lactamase (EC 3.5.2.6) inhibitor ChEBI beta-lactamase (EC 3.5.2.6) inhibitors ChEBI beta-lactamase A, B, C inhibitor ChEBI beta-lactamase A, B, C inhibitors ChEBI beta-lactamase AME I inhibitor ChEBI beta-lactamase AME I inhibitors ChEBI beta-lactamase I-III inhibitor ChEBI beta-lactamase I-III inhibitors ChEBI beta-lactamase inhibitor ChEBI beta-lactamase inhibitors ChEBI cephalosporin-beta-lactamase inhibitor ChEBI cephalosporin-beta-lactamase inhibitors ChEBI cephalosporinase inhibitor ChEBI cephalosporinase inhibitors ChEBI exopenicillinase inhibitor ChEBI exopenicillinase inhibitors ChEBI neutrapen inhibitor ChEBI neutrapen inhibitors ChEBI penicillin amido-beta-lactamhydrolase inhibitor ChEBI penicillin amido-beta-lactamhydrolase inhibitors ChEBI penicillin beta-lactamase inhibitor ChEBI penicillin beta-lactamase inhibitors ChEBI penicillinase I, II inhibitor ChEBI penicillinase I, II inhibitors ChEBI penicillinase inhibitor ChEBI penicillinase inhibitors ChEBI A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon. 0 C3H2NOR3 68.054 68.01364 C1(C(N(*)C1*)=O)* CHEBI:10426 CHEBI:13203 CHEBI:22845 KEGG:C01866 Wikipedia:Beta-lactam beta-Lactam chebi_ontology a beta-lactam beta-lactams CHEBI:35627 beta-lactam beta-Lactam KEGG_COMPOUND a beta-lactam UniProt beta-lactams ChEBI Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin. chebi_ontology ARI NERI NRI adrenergic reuptake inhibitor adrenergic reuptake inhibitors adrenergic uptake inhibitors norepinephrine reuptake inhibitor norepinephrine reuptake inhibitors CHEBI:35640 adrenergic uptake inhibitor ARI ChEBI NERI ChEBI NRI ChEBI adrenergic reuptake inhibitor ChEBI adrenergic reuptake inhibitors ChEBI adrenergic uptake inhibitors ChEBI norepinephrine reuptake inhibitor ChEBI norepinephrine reuptake inhibitors ChEBI dibenzannulene chebi_ontology dibenzannulenes CHEBI:35641 dibenzannulene dibenzannulene ChEBI dibenzannulenes ChEBI 0 C15H12 InChI=1S/C15H12/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-10H,11H2 QPJORFLSOJAUNL-UHFFFAOYSA-N 192.25578 192.09390 C1c2ccccc2C=Cc2ccccc12 5H-dibenzo[a,d][7]annulene chebi_ontology 5H-dibenzo[a,d]cycloheptene CHEBI:35642 dibenzo[a,d][7]annulene 5H-dibenzo[a,d][7]annulene IUPAC 5H-dibenzo[a,d]cycloheptene ChEBI 0 C16H21N InChI=1S/C16H21N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15+,16-/m0/s1 INAXVFBXDYWQFN-XHSDSOJGSA-N 227.34468 227.16740 [H][C@@]12CCCC[C@@]11CCN[C@@H]2Cc2ccccc12 Beilstein:1375527 morphinan chebi_ontology CHEBI:35649 morphinan Beilstein:1375527 Beilstein Beilstein:1375527 Beilstein morphinan IUPAC An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. Wikipedia:Protease_inhibitor_(pharmacology) chebi_ontology HIV protease inhibitors CHEBI:35660 HIV protease inhibitor HIV protease inhibitors ChEBI chebi_ontology terpenoid fundamental parents CHEBI:35662 terpenoid fundamental parent terpenoid fundamental parents ChEBI Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme. PMID:1464741 PMID:15531285 PMID:20467214 Wikipedia:HMG-CoA_reductase chebi_ontology HMG-CoA reductase inhibitor HMG-CoA reductase inhibitors hydroxymethylglutaryl-CoA reductase inhibitor hydroxymethylglutaryl-CoA reductase inhibitors CHEBI:35664 EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor PMID:1464741 Europe PMC PMID:15531285 Europe PMC PMID:20467214 Europe PMC HMG-CoA reductase inhibitor ChEBI HMG-CoA reductase inhibitors ChEBI hydroxymethylglutaryl-CoA reductase inhibitor ChEBI hydroxymethylglutaryl-CoA reductase inhibitors ChEBI Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. Wikipedia:Antihypertensive_drug chebi_ontology antihypertensive antihypertensive agents antihypertensive drug antihypertensive drugs CHEBI:35674 antihypertensive agent antihypertensive ChEBI antihypertensive agents ChEBI antihypertensive drug ChEBI antihypertensive drugs ChEBI A group of two-ring heterocyclic compounds consisting of a benzene ring fused to an azepine ring. benzazepine chebi_ontology benzazepines benzoazepines CHEBI:35676 benzazepine benzazepine ChEBI benzazepines ChEBI benzoazepines ChEBI A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically. chebi_ontology histamine agonists CHEBI:35678 histamine agonist histamine agonists ChEBI A substance used to treat hyperlipidemia (an excess of lipids in the blood). Wikipedia:Hypolipidemic_agent chebi_ontology antihyperlipemic antihyperlipemics antihyperlipidaemic agent antihyperlipidaemic agents antihyperlipidaemic drug antihyperlipidaemic drugs antihyperlipidemic antihyperlipidemic agent antihyperlipidemic agents antihyperlipidemic drug antihyperlipidemic drugs antihyperlipidemics antilipemic antilipemic drugs antilipemics hypolipidemic agent hypolipidemic agents lipid-lowering agent lipid-lowering agents lipid-lowering drug lipid-lowering drugs CHEBI:35679 antilipemic drug antihyperlipemic ChEBI antihyperlipemics ChEBI antihyperlipidaemic agent ChEBI antihyperlipidaemic agents ChEBI antihyperlipidaemic drug ChEBI antihyperlipidaemic drugs ChEBI antihyperlipidemic ChEBI antihyperlipidemic agent ChEBI antihyperlipidemic agents ChEBI antihyperlipidemic drug ChEBI antihyperlipidemic drugs ChEBI antihyperlipidemics ChEBI antilipemic ChEBI antilipemic drugs ChEBI antilipemics ChEBI hypolipidemic agent ChEBI hypolipidemic agents ChEBI lipid-lowering agent ChEBI lipid-lowering agents ChEBI lipid-lowering drug ChEBI lipid-lowering drugs ChEBI A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it. 0 CH2OR2 30.026 30.01056 *C(*)O CHEBI:13425 CHEBI:13686 CHEBI:26617 CHEBI:58662 CHEBI:8741 CHEBI:9077 KEGG:C00432 KEGG:C01612 Secondary alcohol chebi_ontology R-CHOH-R' a secondary alcohol secondary alcohols CHEBI:35681 secondary alcohol Secondary alcohol KEGG_COMPOUND R-CHOH-R' KEGG_COMPOUND a secondary alcohol UniProt secondary alcohols ChEBI A member of the class of naphthols carrying a single hydroxy substituent at C-1 or C-2. A closed class. 0 C10H8O 144.170 144.05751 CAS:1321-67-1 naphthalenol naphthol chebi_ontology hydroxynaphthalene CHEBI:35682 naphthol CAS:1321-67-1 ChemIDplus naphthalenol IUPAC naphthol IUPAC hydroxynaphthalene ChEBI Any organic sulfide in which the sulfur is attached to at least one aromatic group. aryl sulfide chebi_ontology aryl sulfides CHEBI:35683 aryl sulfide aryl sulfide ChEBI aryl sulfides ChEBI An agent used to treat cestode, trematode, or other flatworm infestations in man or animals. chebi_ontology antiplatyhelmintic agent antiplatyhelmintic drugs CHEBI:35684 antiplatyhelmintic drug antiplatyhelmintic agent ChEBI antiplatyhelmintic drugs ChEBI A secondary alcohol that is butane substituted by a hydroxy group at position 2. 0 C4H10O InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 BTANRVKWQNVYAZ-UHFFFAOYSA-N 74.12160 74.07316 CCC(C)O Beilstein:773649 CAS:78-92-2 DrugBank:DB02606 Gmelin:1686 HMDB:HMDB0011469 MetaCyc:CPD-326 PMID:18214490 PMID:24078128 Reaxys:773649 Wikipedia:2-butanol butan-2-ol chebi_ontology 1-methyl-1-propanol 1-methylpropyl alcohol 2-butanol 2-butyl alcohol 2-hydroxybutane butanol-2 methylethylcarbinol s-Butylalkohol s-butyl alcohol sec-butanol sec-butyl alcohol CHEBI:35687 butan-2-ol Beilstein:773649 Beilstein CAS:78-92-2 ChemIDplus CAS:78-92-2 NIST Chemistry WebBook Gmelin:1686 Gmelin PMID:18214490 Europe PMC PMID:24078128 Europe PMC Reaxys:773649 Reaxys butan-2-ol IUPAC butan-2-ol UniProt 1-methyl-1-propanol ChemIDplus 1-methylpropyl alcohol NIST_Chemistry_WebBook 2-butanol NIST_Chemistry_WebBook 2-butyl alcohol ChemIDplus 2-hydroxybutane ChemIDplus butanol-2 NIST_Chemistry_WebBook methylethylcarbinol ChemIDplus s-Butylalkohol ChEBI s-butyl alcohol NIST_Chemistry_WebBook sec-butanol NIST_Chemistry_WebBook sec-butyl alcohol NIST_Chemistry_WebBook A member of the class of benzimidazoles carrying a carboxy group at unspecified position. benzimidazolecarboxylic acid chebi_ontology benzimidazolecarboxylic acids CHEBI:35688 benzimidazolecarboxylic acid benzimidazolecarboxylic acid ChEBI benzimidazolecarboxylic acids ChEBI An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom. chebi_ontology CHEBI:35689 tetrazoles -2 C6H6O4 InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)/p-2 CCQPAEQGAVNNIA-UHFFFAOYSA-L 142.10944 142.02771 [O-]C(=O)C1(CCC1)C([O-])=O Gmelin:405673 cyclobutane-1,1-dicarboxylate chebi_ontology cbdca cbdca(2-) CHEBI:35690 cyclobutane-1,1-dicarboxylate(2-) Gmelin:405673 Gmelin cyclobutane-1,1-dicarboxylate IUPAC cbdca IUPAC cbdca(2-) ChEBI 0 C6H8O4 InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10) CCQPAEQGAVNNIA-UHFFFAOYSA-N 144.12532 144.04226 OC(=O)C1(CCC1)C(O)=O Beilstein:2046031 CAS:5445-51-2 Gmelin:82590 cyclobutane-1,1-dicarboxylic acid chebi_ontology 1,1-cyclobutanedicarboxylic acid H2cbdca CHEBI:35691 cyclobutane-1,1-dicarboxylic acid Beilstein:2046031 Beilstein CAS:5445-51-2 ChemIDplus CAS:5445-51-2 NIST Chemistry WebBook Gmelin:82590 Gmelin cyclobutane-1,1-dicarboxylic acid IUPAC 1,1-cyclobutanedicarboxylic acid ChemIDplus H2cbdca IUPAC Any carboxylic acid containing two carboxy groups. CHEBI:23692 CHEBI:36172 CHEBI:4501 KEGG:C02028 Dicarboxylic acid chebi_ontology dicarboxylic acids CHEBI:35692 dicarboxylic acid Dicarboxylic acid KEGG_COMPOUND dicarboxylic acids ChEBI dicarboxylic acid anion chebi_ontology dicarboxylic acid anions CHEBI:35693 dicarboxylic acid anion dicarboxylic acid anion ChEBI dicarboxylic acid anions ChEBI -1 C6H7O4 InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)/p-1 CCQPAEQGAVNNIA-UHFFFAOYSA-M 143.11738 143.03498 OC(=O)C1(CCC1)C([O-])=O Gmelin:486356 1-carboxycyclobutanecarboxylate chebi_ontology Hcbdca Hcbdca(-) hydrogen cyclobutane-1,1-dicarboxylate CHEBI:35694 cyclobutane-1,1-dicarboxylate(1-) Gmelin:486356 Gmelin 1-carboxycyclobutanecarboxylate IUPAC Hcbdca IUPAC Hcbdca(-) ChEBI hydrogen cyclobutane-1,1-dicarboxylate ChEBI Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid. chebi_ontology dicarboxylic acid monoanions CHEBI:35695 dicarboxylic acid monoanion dicarboxylic acid monoanions ChEBI A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter. CHEBI:23960 CHEBI:4859 KEGG:C00287 Wikipedia:Ester Ester chebi_ontology esters CHEBI:35701 ester Ester KEGG_COMPOUND esters ChEBI An ether in which the oxygen atom is linked to two ethyl groups. 0 C4H10O InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 RTZKZFJDLAIYFH-UHFFFAOYSA-N 74.12160 74.07316 CCOCC CHEBI:23991 CHEBI:31565 Beilstein:1696894 CAS:60-29-7 Drug_Central:4417 Gmelin:25444 KEGG:C13240 KEGG:D01772 PMID:24443836 Reaxys:1696894 Wikipedia:Diethyl_ether 1,1'-oxydiethane Diethyl ether chebi_ontology 1,1'-oxybisethane 3-oxapentane Aether Anesthetic ether Diethylaether Ether Pronarcol R-610 aether aether pro narcosi diethyl oxide ethoxyethane ethyl ether ethyl oxide CHEBI:35702 diethyl ether Beilstein:1696894 Beilstein CAS:60-29-7 ChemIDplus CAS:60-29-7 KEGG COMPOUND CAS:60-29-7 NIST Chemistry WebBook Drug_Central:4417 DrugCentral Gmelin:25444 Gmelin PMID:24443836 Europe PMC Reaxys:1696894 Reaxys 1,1'-oxydiethane IUPAC Diethyl ether KEGG_COMPOUND 1,1'-oxybisethane ChemIDplus 3-oxapentane ChemIDplus Aether ChEBI Anesthetic ether KEGG_COMPOUND Diethylaether ChEBI Ether KEGG_COMPOUND Pronarcol NIST_Chemistry_WebBook R-610 ChEBI aether NIST_Chemistry_WebBook aether pro narcosi ChEBI diethyl oxide ChemIDplus ethoxyethane ChemIDplus ethyl ether ChemIDplus ethyl oxide ChemIDplus A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. CHEBI:10074 CHEBI:27333 KEGG:C06708 Wikipedia:Xenobiotic Xenobiotic xenobiotic xenobiotics chebi_ontology xenobiotic compounds CHEBI:35703 xenobiotic Xenobiotic KEGG_COMPOUND xenobiotic IUPAC xenobiotics IUPAC xenobiotic compounds ChEBI An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. chebi_ontology immunosuppressant immunosuppressive agents inmunosupresor CHEBI:35705 immunosuppressive agent immunosuppressant ChEBI immunosuppressive agents ChEBI inmunosupresor ChEBI A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6. 0 C10H18 InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3 XOKSLPVRUOBDEW-UHFFFAOYSA-N 138.24992 138.14085 CC1CCC2CC1C2(C)C Beilstein:1847301 CAS:473-55-2 LIPID_MAPS_instance:LMPR0102120026 Reaxys:1847301 2,6,6-trimethylbicyclo[3.1.1]heptane pinane chebi_ontology dihydropinene CHEBI:35710 pinane Beilstein:1847301 Beilstein CAS:473-55-2 ChemIDplus CAS:473-55-2 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0102120026 LIPID MAPS Reaxys:1847301 Reaxys 2,6,6-trimethylbicyclo[3.1.1]heptane IUPAC pinane IUPAC dihydropinene NIST_Chemistry_WebBook A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied). nitro compounds chebi_ontology CHEBI:35715 nitro compound nitro compounds IUPAC A nitro compound having the nitro group (-NO2) attached to a carbon atom. C-nitro compounds chebi_ontology CHEBI:35716 C-nitro compound C-nitro compounds IUPAC A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. chebi_ontology hypnotics hypnotics and sedatives sedative drug sedatives sedatives and hypnotics CHEBI:35717 sedative hypnotics ChEBI hypnotics and sedatives ChEBI sedative drug ChEBI sedatives ChEBI sedatives and hypnotics ChEBI An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. chebi_ontology antifungal antifungal agents antifungal drug antifungal drugs antifungals CHEBI:35718 antifungal agent antifungal ChEBI antifungal agents ChEBI antifungal drug ChEBI antifungal drugs ChEBI antifungals ChEBI H2NS(=O)2OH (sulfamic acid) and its N-hydrocarbyl derivatives. KEGG:C01614 sulfamic acids chebi_ontology CHEBI:35719 sulfamic acids sulfamic acids IUPAC chebi_ontology glycosaminoglycan sulfate glycosaminoglycan sulfates sulfated glycosaminoglycans CHEBI:35722 sulfated glycosaminoglycan glycosaminoglycan sulfate ChEBI glycosaminoglycan sulfates ChEBI sulfated glycosaminoglycans ChEBI chebi_ontology carbohydrate sulfates carbohydrate sulphates CHEBI:35724 carbohydrate sulfate carbohydrate sulfates ChEBI carbohydrate sulphates ChEBI Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol. 0 C4H7O2R 87.097 87.04460 C(OC(C)C)(*)=O chebi_ontology propan-2-yl ester propan-2-yl esters CHEBI:35725 isopropyl ester propan-2-yl ester ChEBI propan-2-yl esters ChEBI An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. chebi_ontology triazole compounds CHEBI:35727 triazoles triazole compounds ChEBI osmium coordination entity chebi_ontology osmium coordination compounds osmium coordination entities CHEBI:35731 osmium coordination entity osmium coordination entity ChEBI osmium coordination compounds ChEBI osmium coordination entities ChEBI chebi_ontology osmium compounds osmium molecular entities osmium molecular entitiy CHEBI:35732 osmium molecular entity osmium compounds ChEBI osmium molecular entities ChEBI osmium molecular entitiy ChEBI chebi_ontology ruthenium coordination compound ruthenium coordination compounds ruthenium coordination entities CHEBI:35733 ruthenium coordination entity ruthenium coordination compound ChEBI ruthenium coordination compounds ChEBI ruthenium coordination entities ChEBI chebi_ontology ruthenium compounds ruthenium molecular entities CHEBI:35734 ruthenium molecular entity ruthenium compounds ChEBI ruthenium molecular entities ChEBI CHEBI:13210 CHEBI:23691 CHEBI:6976 KEGG:C04131 chebi_ontology dicarboxylic acid monoamides CHEBI:35735 dicarboxylic acid monoamide dicarboxylic acid monoamides ChEBI Compounds in which one oxygen of a carboxy group has been replaced by divalent sulfur; RC(=O)SH or RC(=S)OH. monothiocarboxylic acid monothiocarboxylic acids chebi_ontology monothiocarboxylic acids thio acid CHEBI:35737 monothiocarboxylic acid monothiocarboxylic acid ChEBI monothiocarboxylic acids IUPAC monothiocarboxylic acids ChEBI thio acid ChEBI chebi_ontology liposaccharides CHEBI:35740 liposaccharide liposaccharides ChEBI Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached. PMID:18606873 chebi_ontology glycerolipids CHEBI:35741 glycerolipid PMID:18606873 Europe PMC glycerolipids ChEBI An oxoacid containing four carboxy groups. 0 C4H4O8R 180.070 179.99062 chebi_ontology tetracarboxylic acids CHEBI:35742 tetracarboxylic acid tetracarboxylic acids ChEBI Any fatty acid containing a ring composed of carbon atoms. chebi_ontology carbocyclic fatty acids CHEBI:35744 carbocyclic fatty acid carbocyclic fatty acids ChEBI An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain. 0 CHOR 29.01800 29.00274 [*]C=O PMID:15210368 PMID:21341652 PMID:21347727 chebi_ontology a fatty aldehyde fatty aldehydes CHEBI:35746 fatty aldehyde PMID:15210368 Europe PMC PMID:21341652 Europe PMC PMID:21347727 Europe PMC a fatty aldehyde UniProt fatty aldehydes ChEBI A carboxylic ester in which the carboxylic acid component can be any fatty acid. 0 CO2R2 44.00950 43.98983 [*]OC([*])=O CHEBI:27315 CHEBI:35747 CHEBI:78205 chebi_ontology FAEE a fatty acid ester fatty acid esters CHEBI:35748 fatty acid ester FAEE SUBMITTER a fatty acid ester UniProt fatty acid esters ChEBI Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group. tricarboxylic acid anion chebi_ontology tricarboxylic acid anions CHEBI:35753 tricarboxylic acid anion tricarboxylic acid anion ChEBI tricarboxylic acid anions ChEBI Any anion of a tetracarboxylic acid formed by deprotonation of one or more carboxy groups. chebi_ontology tetracarboxylic acid anions CHEBI:35754 tetracarboxylic acid anion tetracarboxylic acid anions ChEBI A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated. -1 CO2R 44.01000 43.98983 [O-]C([*])=O CHEBI:13657 CHEBI:25382 CHEBI:3407 KEGG:C00060 chebi_ontology Carboxylate Monocarboxylate a monocarboxylate monocarboxylates monocarboxylic acid anions CHEBI:35757 monocarboxylic acid anion Carboxylate KEGG_COMPOUND Monocarboxylate KEGG_COMPOUND a monocarboxylate UniProt monocarboxylates ChEBI monocarboxylic acid anions ChEBI arsenic oxoanion chebi_ontology arsenic oxoanions oxoanions of arsenic CHEBI:35776 arsenic oxoanion arsenic oxoanion ChEBI arsenic oxoanions ChEBI oxoanions of arsenic ChEBI chebi_ontology boron oxides oxides of boron CHEBI:35777 boron oxide boron oxides ChEBI oxides of boron ChEBI dicarboxylic acid diamide chebi_ontology dicarboxylic acid diamides CHEBI:35779 dicarboxylic acid diamide dicarboxylic acid diamide ChEBI dicarboxylic acid diamides ChEBI A phosphorus oxoanion that is the conjugate base of phosphoric acid. chebi_ontology Pi phosphate phosphate ions CHEBI:35780 phosphate ion Pi ChEBI phosphate ChEBI phosphate ions ChEBI CHEBI:14177 CHEBI:35781 chebi_ontology PPi diphosphate ions CHEBI:35782 diphosphate ion PPi ChEBI diphosphate ions ChEBI 0 C10H18 InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3 BEWYHVAWEKZDPP-UHFFFAOYSA-N 138.24992 138.14085 CC1(C)C2CCC1(C)CC2 Beilstein:1900804 CAS:464-15-3 DrugBank:DB04501 LIPID_MAPS_instance:LMPR0102120000 LIPID_MAPS_instance:LMPR0102120026 1,7,7-trimethylbicyclo[2.2.1]heptane bornane chebi_ontology bornylane camphane CHEBI:35783 bornane Beilstein:1900804 Beilstein CAS:464-15-3 ChemIDplus CAS:464-15-3 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0102120000 LIPID MAPS LIPID_MAPS_instance:LMPR0102120026 LIPID MAPS 1,7,7-trimethylbicyclo[2.2.1]heptane IUPAC bornane IUPAC bornylane NIST_Chemistry_WebBook camphane ChemIDplus chebi_ontology seco-steroids CHEBI:35788 seco-steroid seco-steroids ChEBI CHEBI:24979 CHEBI:25804 chebi_ontology keto steroids ketosteroids oxo steroids oxosteroids CHEBI:35789 oxo steroid keto steroids ChEBI ketosteroids ChEBI oxo steroids ChEBI oxosteroids ChEBI An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. oxazole chebi_ontology oxazoles CHEBI:35790 oxazole oxazole ChEBI oxazoles ChEBI Compounds having the nitroso group, -NO, attached to carbon, or to another element, most commonly nitrogen or oxygen. chebi_ontology nitroso compounds CHEBI:35800 nitroso compound nitroso compounds ChEBI 0 NO 30.00614 29.99799 O=N* nitroso chebi_ontology -N=O O=N- CHEBI:35801 nitroso group nitroso IUPAC -N=O IUPAC O=N- IUPAC N-Nitroso amines, compounds of the structure R2NNO. Compounds RNHNO are not ordinarily isolable, but they, too, are nitrosamines. The name is a contraction of N-nitrosoamine and, as such, does not require the N locant. 0 N2OR2 44.01280 44.00106 [*]N([*])N=O Wikipedia:Nitrosamine chebi_ontology N-Nitroso amines nitrosamines CHEBI:35803 nitrosamine N-Nitroso amines IUPAC nitrosamines ChEBI 0 C2H6N2O InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3 UMFJAHHVKNCGLG-UHFFFAOYSA-N 74.08192 74.04801 CN(C)N=O CHEBI:21778 CHEBI:34874 CAS:62-75-9 FooDB:FDB003496 HMDB:HMDB0031419 KEGG:C14704 MetaCyc:CPD-18996 PMID:10688537 PMID:15647563 PMID:15672376 PMID:16640298 PMID:25556763 PMID:32836149 PMID:33849366 PMID:34247699 PMID:34546846 PMID:8318659 PMID:8951235 PPDB:1645 Wikipedia:N-Nitrosodimethylamine N-Nitrosodimethylamine N-methyl-N-nitrosomethanamine chebi_ontology 1,1-Dimethyl-2-oxohydrazine DMN Dimethylnitrosamine Dimethylnitrosoamine N,N-Dimethylnitrosamine CHEBI:35807 N-nitrosodimethylamine CAS:62-75-9 ChemIDplus CAS:62-75-9 KEGG COMPOUND CAS:62-75-9 NIST Chemistry WebBook PMID:10688537 Europe PMC PMID:15647563 Europe PMC PMID:15672376 Europe PMC PMID:16640298 Europe PMC PMID:25556763 Europe PMC PMID:32836149 Europe PMC PMID:33849366 Europe PMC PMID:34247699 Europe PMC PMID:34546846 Europe PMC PMID:8318659 Europe PMC PMID:8951235 Europe PMC N-Nitrosodimethylamine ChemIDplus N-Nitrosodimethylamine KEGG_COMPOUND N-methyl-N-nitrosomethanamine IUPAC 1,1-Dimethyl-2-oxohydrazine NIST_Chemistry_WebBook DMN ChemIDplus Dimethylnitrosamine KEGG_COMPOUND Dimethylnitrosoamine ChemIDplus N,N-Dimethylnitrosamine ChemIDplus An agent useful in the treatment or prevention of coccidiosis in man or animals. chebi_ontology anticoccidial agent coccidiostats CHEBI:35818 coccidiostat anticoccidial agent ChEBI coccidiostats ChEBI Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids. CHEBI:22919 CHEBI:3166 KEGG:C05996 PMID:18318842 chebi_ontology BCFA BCFAs Branched chain fatty acid branched fatty acid branched fatty acids branched-chain fatty acids CHEBI:35819 branched-chain fatty acid PMID:18318842 Europe PMC BCFA ChEBI BCFAs ChEBI Branched chain fatty acid KEGG_COMPOUND branched fatty acid ChEBI branched fatty acids ChEBI branched-chain fatty acids ChEBI Any antimicrobial drug which is used to treat or prevent protozoal infections. Wikipedia:Antiprotozoal_agent chebi_ontology antiprotozoal agent antiprotozoal agents antiprotozoal drugs CHEBI:35820 antiprotozoal drug antiprotozoal agent ChEBI antiprotozoal agents ChEBI antiprotozoal drugs ChEBI A substance used to lower plasma cholesterol levels. CHEBI:64906 chebi_ontology anticholesteremic anticholesteremic agent anticholesteremic drugs antihypercholesterolemic antihypercholesterolemic agent antihypercholesterolemic agents antihypercholesterolemic drug antihypercholesterolemic drugs antihypercholesterolemics cholesterol inhibitor cholesterol-lowering agent cholesterol-lowering agents cholesterol-lowering drug cholesterol-lowering drugs hypocholesteremic agent CHEBI:35821 anticholesteremic drug anticholesteremic ChEBI anticholesteremic agent ChEBI anticholesteremic drugs ChEBI antihypercholesterolemic ChEBI antihypercholesterolemic agent ChEBI antihypercholesterolemic agents ChEBI antihypercholesterolemic drug ChEBI antihypercholesterolemic drugs ChEBI antihypercholesterolemics ChEBI cholesterol inhibitor ChEBI cholesterol-lowering agent ChEBI cholesterol-lowering agents ChEBI cholesterol-lowering drug ChEBI cholesterol-lowering drugs ChEBI hypocholesteremic agent ChEBI chebi_ontology arsenic hydrides CHEBI:35822 arsenic hydride arsenic hydrides ChEBI The saturated hydrides of tervalent arsenic, having the general formula AsnHn+2. arsanes chebi_ontology CHEBI:35823 arsanes arsanes IUPAC A drug used to treat rheumatoid arthritis. chebi_ontology anti-rheumatic drugs antirheumatic agent antirheumatic drugs CHEBI:35842 antirheumatic drug anti-rheumatic drugs ChEBI antirheumatic agent ChEBI antirheumatic drugs ChEBI H3As=O and its hydrocarbyl derivatives. arsine oxides chebi_ontology CHEBI:35843 arsine oxides arsine oxides IUPAC A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. chebi_ontology gout suppressants CHEBI:35845 gout suppressant gout suppressants ChEBI An organosulfur compound having the structure RS(=O)2R (R =/= H). sulfone chebi_ontology sulfones CHEBI:35850 sulfone sulfone ChEBI sulfones ChEBI A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. chebi_ontology lipooxygenase inhibitor lipoxygenase inhibitors CHEBI:35856 lipoxygenase inhibitor lipooxygenase inhibitor ChEBI lipoxygenase inhibitors ChEBI Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent. chebi_ontology hydroxy acid hydroxy monocarboxylic acids CHEBI:35868 hydroxy monocarboxylic acid hydroxy acid ChEBI hydroxy monocarboxylic acids ChEBI Any monocarboxylic acid having at least one additional oxo functional group. chebi_ontology oxo monocarboxylic acids CHEBI:35871 oxo monocarboxylic acid oxo monocarboxylic acids ChEBI Anhydrides derived from carboxylic acids. carboxylic anhydride carboxylic anhydrides chebi_ontology carboxylic anhydrides CHEBI:35873 carboxylic anhydride carboxylic anhydride ChEBI carboxylic anhydrides IUPAC carboxylic anhydrides ChEBI chebi_ontology imidazopyrimidines CHEBI:35875 imidazopyrimidine imidazopyrimidines ChEBI The saturated hydrides of tervalent phosphorus having the general formula PnHn+2. phosphanes chebi_ontology CHEBI:35878 phosphanes phosphanes IUPAC chebi_ontology phosphorus hydrides CHEBI:35879 phosphorus hydride phosphorus hydrides ChEBI pnictogen hydride chebi_ontology pnictogen hydrides CHEBI:35881 pnictogen hydride pnictogen hydride ChEBI pnictogen hydrides ChEBI Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane. PMID:14629181 PMID:21241104 PMID:21399776 PMID:21699183 PMID:21714575 PMID:21854058 PMID:21957974 phosphines chebi_ontology fosfinas phosphines CHEBI:35883 phosphine PMID:14629181 Europe PMC PMID:21241104 Europe PMC PMID:21399776 Europe PMC PMID:21699183 Europe PMC PMID:21714575 Europe PMC PMID:21854058 Europe PMC PMID:21957974 Europe PMC phosphines IUPAC fosfinas IUPAC phosphines ChEBI CHEBI:35178 CHEBI:35901 chebi_ontology oxo monocarboxylic acid anions CHEBI:35902 oxo monocarboxylic acid anion oxo monocarboxylic acid anions ChEBI Any carboxylic acid anion containing at least one oxo group. chebi_ontology oxo carboxylic acid anions CHEBI:35903 oxo carboxylic acid anion oxo carboxylic acid anions ChEBI Any monocarboxylic acid having a 2-oxo substituent. 0 C2HO3R 73.02750 72.99257 OC(=O)C([*])=O CHEBI:11634 CHEBI:1238 CHEBI:13195 CHEBI:13594 CHEBI:19736 CHEBI:35909 KEGG:C00161 2-oxo carboxylic acids chebi_ontology 2-Oxo acid 2-Oxocarboxylate 2-oxo acid 2-oxo monocarboxylic acids CHEBI:35910 2-oxo monocarboxylic acid 2-oxo carboxylic acids IUPAC 2-Oxo acid KEGG_COMPOUND 2-Oxocarboxylate KEGG_COMPOUND 2-oxo acid UniProt 2-oxo monocarboxylic acids ChEBI A monosubstitution product of hydrogen peroxide, HOOH. hydroperoxide chebi_ontology hydroperoxides CHEBI:35923 hydroperoxide hydroperoxide ChEBI hydroperoxides ChEBI Monosubstitution products of hydrogen peroxide HOOH, having the skeleton ROOH, in which R is any organyl group. 0 HO2R 33.00670 32.99765 OO[*] peroxols chebi_ontology a hydroperoxide hydroperoxides organic hydroperoxides peroxols CHEBI:35924 peroxol peroxols IUPAC a hydroperoxide UniProt hydroperoxides IUPAC organic hydroperoxides ChEBI peroxols ChEBI An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. chebi_ontology 5-HT agonist 5-hydroxytryptamine agonist serotonergic agonists serotonin agonist serotonin agonists CHEBI:35941 serotonergic agonist 5-HT agonist ChEBI 5-hydroxytryptamine agonist ChEBI serotonergic agonists ChEBI serotonin agonist ChEBI serotonin agonists ChEBI A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. chebi_ontology neurotransmitter agents CHEBI:35942 neurotransmitter agent neurotransmitter agents ChEBI A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group. chebi_ontology 3-hydroxy acid 3-hydroxy monocarboxylic acids beta-hydroxy acid beta-hydroxy acids beta-hydroxy carboxylic acid beta-hydroxy carboxylic acids CHEBI:35969 3-hydroxy monocarboxylic acid 3-hydroxy acid ChEBI 3-hydroxy monocarboxylic acids ChEBI beta-hydroxy acid ChEBI beta-hydroxy acids ChEBI beta-hydroxy carboxylic acid ChEBI beta-hydroxy carboxylic acids ChEBI Any hydroxy monocarboxylic acid carrying at least two hydroxy groups. chebi_ontology dihydroxy monocarboxylic acids CHEBI:35972 dihydroxy monocarboxylic acid dihydroxy monocarboxylic acids ChEBI An oxo monocarboxylic acid anion having the oxo group located at the 3-position (R = H or organyl group). -1 C3H2O3R 86.046 86.00039 C(C([O-])=O)C(*)=O chebi_ontology 3-oxo monocarboxylic acid anions a 3-oxo acid CHEBI:35973 3-oxo monocarboxylic acid anion 3-oxo monocarboxylic acid anions ChEBI a 3-oxo acid UniProt chebi_ontology 5-oxo monocarboxylic acid anions CHEBI:35975 5-oxo monocarboxylic acid anion 5-oxo monocarboxylic acid anions ChEBI chebi_ontology 7-oxo monocarboxylic acids CHEBI:35983 7-oxo monocarboxylic acid 7-oxo monocarboxylic acids ChEBI Any amino acid carrying two amino groups. chebi_ontology CHEBI:35987 diamino acid A polycyclic compound in which two rings have two or more atoms in common. chebi_ontology bridged compounds CHEBI:35990 bridged compound bridged compounds ChEBI A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid. PMID:19035453 PMID:19136835 omega-6 fatty acid omega-6 fatty acid chebi_ontology omega-6 fatty acids CHEBI:36009 omega-6 fatty acid ω−6 fatty acid PMID:19035453 Europe PMC PMID:19136835 Europe PMC omega-6 fatty acid ChEBI omega-6 fatty acids ChEBI A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group. 0 CH3Cl InChI=1S/CH3Cl/c1-2/h1H3 NEHMKBQYUWJMIP-UHFFFAOYSA-N 50.48722 49.99233 [H]C([H])([H])Cl CHEBI:25247 CHEBI:33185 Beilstein:1696839 CAS:74-87-3 Gmelin:24898 KEGG:C19446 MetaCyc:CPD-845 PMID:12738255 PMID:7679475 Reaxys:1696839 UM-BBD_compID:c0599 Wikipedia:Chloromethane chloromethane chebi_ontology CH3Cl MeCl Methylchlorid R-40 methyl chloride methylchloride monochloromethane CHEBI:36014 chloromethane Beilstein:1696839 Beilstein CAS:74-87-3 ChemIDplus CAS:74-87-3 KEGG COMPOUND CAS:74-87-3 NIST Chemistry WebBook Gmelin:24898 Gmelin PMID:12738255 Europe PMC PMID:7679475 Europe PMC Reaxys:1696839 Reaxys UM-BBD_compID:c0599 UM-BBD chloromethane IUPAC chloromethane UniProt CH3Cl IUPAC MeCl IUPAC Methylchlorid NIST_Chemistry_WebBook R-40 ChEBI methyl chloride ChemIDplus methylchloride ChemIDplus monochloromethane ChemIDplus A member of the class of chloroethanes carrying three chloro substituents at position 1. 0 C2H3Cl3 InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 UOCLXMDMGBRAIB-UHFFFAOYSA-N 133.40332 131.93003 CC(Cl)(Cl)Cl Beilstein:1731614 CAS:71-55-6 Gmelin:82076 HMDB:HMDB0041791 KEGG:C18246 PMID:16541244 PMID:20536226 PMID:23102696 PPDB:1511 Reaxys:1731614 Wikipedia:1,1,1-Trichloroethane 1,1,1-trichloroethane chebi_ontology 1,1,1-TCE 1,1,1-Trichloraethan 1,1,1-trichlorethane Methylchloroform alpha-T alpha-trichloroethane methylchloroform methyltrichloromethane trichloro-1,1,1-ethane CHEBI:36015 1,1,1-trichloroethane Beilstein:1731614 ChemIDplus CAS:71-55-6 ChemIDplus CAS:71-55-6 KEGG COMPOUND CAS:71-55-6 NIST Chemistry WebBook Gmelin:82076 Gmelin PMID:16541244 Europe PMC PMID:20536226 Europe PMC PMID:23102696 Europe PMC Reaxys:1731614 Reaxys 1,1,1-trichloroethane IUPAC 1,1,1-TCE ChemIDplus 1,1,1-Trichloraethan ChEBI 1,1,1-trichlorethane NIST_Chemistry_WebBook Methylchloroform KEGG_COMPOUND alpha-T NIST_Chemistry_WebBook alpha-trichloroethane NIST_Chemistry_WebBook methylchloroform NIST_Chemistry_WebBook methyltrichloromethane ChemIDplus trichloro-1,1,1-ethane NIST_Chemistry_WebBook A chloroalkane that is ethane in which one or more of the hydrogens is replaced by chlorine. chebi_ontology CHEBI:36016 chloroethanes A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. 0 C2H3Cl3 InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2 UBOXGVDOUJQMTN-UHFFFAOYSA-N 133.40332 131.93003 ClCC(Cl)Cl Beilstein:1731726 CAS:79-00-5 Gmelin:239897 KEGG:C19536 PMID:20665324 PMID:22375547 PMID:23046725 PMID:23990262 Reaxys:1731726 Wikipedia:1,1,2-Trichloroethane 1,1,2-trichloroethane chebi_ontology 1,1,2-Trichloraethan 1,1,2-trichlorethane 1,2,2-trichloroethane beta-T beta-trichloroethane CHEBI:36018 1,1,2-trichloroethane Beilstein:1731726 ChemIDplus CAS:79-00-5 ChemIDplus CAS:79-00-5 KEGG COMPOUND CAS:79-00-5 NIST Chemistry WebBook Gmelin:239897 Gmelin PMID:20665324 Europe PMC PMID:22375547 Europe PMC PMID:23046725 Europe PMC PMID:23990262 Europe PMC Reaxys:1731726 Reaxys 1,1,2-trichloroethane IUPAC 1,1,2-Trichloraethan ChEBI 1,1,2-trichlorethane NIST_Chemistry_WebBook 1,2,2-trichloroethane ChemIDplus beta-T NIST_Chemistry_WebBook beta-trichloroethane NIST_Chemistry_WebBook An octadecenoic acid with a double bond at C-9. 0 C18H34O2 InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20) ZQPPMHVWECSIRJ-UHFFFAOYSA-N 282.46136 282.25588 [H]C(CCCCCCCC)=C([H])CCCCCCCC(O)=O Beilstein:1726541 CAS:2027-47-6 PMID:20110887 PMID:22908585 PMID:23578483 PMID:24478215 Reaxys:1726541 octadec-9-enoic acid chebi_ontology 18:1, n-9 9-octadecenoic acid C18:1, n-9 Delta(9)-octadecenoic acid CHEBI:36021 octadec-9-enoic acid Beilstein:1726541 Beilstein CAS:2027-47-6 ChemIDplus CAS:2027-47-6 NIST Chemistry WebBook PMID:20110887 Europe PMC PMID:22908585 Europe PMC PMID:23578483 Europe PMC PMID:24478215 Europe PMC Reaxys:1726541 Reaxys octadec-9-enoic acid IUPAC 18:1, n-9 ChEBI 9-octadecenoic acid ChEBI C18:1, n-9 ChEBI Delta(9)-octadecenoic acid ChemIDplus A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2. 0 C2H2Cl4 InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H QPFMBZIOSGYJDE-UHFFFAOYSA-N 167.84808 165.89106 ClC(Cl)C(Cl)Cl Beilstein:969206 CAS:79-34-5 Gmelin:184809 KEGG:C19534 MetaCyc:1122-TETRACHLOROETHANE PMID:18830144 PMID:6767185 Reaxys:969206 Wikipedia:1,1,2,2-Tetrachloroethane 1,1,2,2-tetrachloroethane chebi_ontology 1,1,2,2-Tetrachloraethan 1,1,2,2-tetrachlorethane 1,1-dichloro-2,2-dichloroethane Tetrachloroethane acetylene tetrachloride s-Tetrachloroethane sym-Tetrachloroethane CHEBI:36026 1,1,2,2-tetrachloroethane Beilstein:969206 Beilstein CAS:79-34-5 ChemIDplus CAS:79-34-5 KEGG COMPOUND CAS:79-34-5 NIST Chemistry WebBook Gmelin:184809 Gmelin PMID:18830144 Europe PMC PMID:6767185 Europe PMC Reaxys:969206 Reaxys 1,1,2,2-tetrachloroethane IUPAC 1,1,2,2-Tetrachloraethan ChEBI 1,1,2,2-tetrachlorethane NIST_Chemistry_WebBook 1,1-dichloro-2,2-dichloroethane NIST_Chemistry_WebBook Tetrachloroethane KEGG_COMPOUND acetylene tetrachloride ChemIDplus s-Tetrachloroethane ChemIDplus sym-Tetrachloroethane NIST_Chemistry_WebBook Any stilbenoid with at least one phenolic group. stilbenol chebi_ontology CHEBI:36027 stilbenol stilbenol stilbenol ChEBI 0 C4H5O2 85.081 85.02895 butenoate chebi_ontology CHEBI:36029 butenoate butenoate IUPAC A 20-carbon, polyunsaturated fatty acid having four double bonds at unspecified positions. 0 C20H32O2 304.46690 304.24023 OC([*])=O PMID:23475189 icosatetraenoic acid chebi_ontology 20:4 C20:4 eicosatetraenoic acid eicosatetraenoic acids icosatetraenoic acids CHEBI:36033 icosatetraenoic acid PMID:23475189 Europe PMC icosatetraenoic acid ChEBI 20:4 ChEBI C20:4 ChEBI eicosatetraenoic acid ChEBI eicosatetraenoic acids ChEBI icosatetraenoic acids ChEBI A drug used to treat or prevent microbial infections. chebi_ontology antimicrobial drugs CHEBI:36043 antimicrobial drug antimicrobial drugs ChEBI A substance used in the prophylaxis or therapy of virus diseases. chebi_ontology anti-viral drug anti-virus drug antiviral drugs CHEBI:36044 antiviral drug anti-viral drug ChEBI anti-virus drug ChEBI antiviral drugs ChEBI A drug used to treat or prevent bacterial infections. Wikipedia:Antibacterial chebi_ontology antibacterial drugs CHEBI:36047 antibacterial drug antibacterial drugs ChEBI A drug used to treat infestations with arthropods of the subclass Acari (mites and ticks). Wikipedia:Acaricide chebi_ontology acaricide drugs CHEBI:36053 acaricide drug acaricide drugs ChEBI Esters of benzoic acid or substituted benzoic acids. benzoate ester chebi_ontology benzoate esters benzoic acid esters CHEBI:36054 benzoate ester benzoate ester ChEBI benzoate esters ChEBI benzoic acid esters ChEBI Any monocarboxylic acid anion carrying at least one hydroxy substituent. chebi_ontology hydroxy monocarboxylic acid anions hydroxymonocarboxylic acid anion hydroxymonocarboxylic acid anions CHEBI:36059 hydroxy monocarboxylic acid anion hydroxy monocarboxylic acid anions ChEBI hydroxymonocarboxylic acid anion ChEBI hydroxymonocarboxylic acid anions ChEBI A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients). oxytocic chebi_ontology oxytocic agents oxytocic drugs uterine stimulants CHEBI:36063 oxytocic oxytocic ChEBI oxytocic agents ChEBI oxytocic drugs ChEBI uterine stimulants ChEBI 0 C20H36 InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1 DKPFODGZWDEEBT-QFIAKTPHSA-N 276.49984 276.28170 [H][C@]12CC[C@@H](C)[C@]([H])(CC[C@]3(C)CCC[C@@H](C)[C@@]3([H])C1)C2(C)C CAS:1605-68-1 taxane chebi_ontology (4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene CHEBI:36064 taxane CAS:1605-68-1 ChemIDplus taxane IUPAC (4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene ChemIDplus (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene ChemIDplus CHEBI:22867 CHEBI:50419 LIPID_MAPS_class:LMST04 chebi_ontology bile acids and derivatives cholanoids CHEBI:36078 cholanoid LIPID_MAPS_class:LMST04 LIPID MAPS bile acids and derivatives LIPID_MAPS cholanoids ChEBI A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome. CHEBI:13677 CHEBI:14911 proteins chebi_ontology CHEBI:36080 protein proteins IUPAC A hydroxybenzoate that is the conjugate base of dihydroxybenzoic acid. dihydroxybenzoate chebi_ontology dihydroxybenzoates CHEBI:36084 dihydroxybenzoate dihydroxybenzoate ChEBI dihydroxybenzoates ChEBI chebi_ontology inorganic chloride salt inorganic chloride salts inorganic chlorides CHEBI:36093 inorganic chloride inorganic chloride salt ChEBI inorganic chloride salts ChEBI inorganic chlorides ChEBI chebi_ontology organic chloride salts CHEBI:36094 organic chloride salt organic chloride salts ChEBI -1 C4H5O2 InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)/p-1 YMGUBTXCNDTFJI-UHFFFAOYSA-M 85.08130 85.02950 [O-]C(=O)C1CC1 Beilstein:3537480 Gmelin:745858 chebi_ontology CHEBI:36128 cyclopropanecarboxylate Beilstein:3537480 Beilstein Gmelin:745858 Gmelin An alicyclic ketone in which the carbocyclic ring structure forms part of a terpene skeleton. cyclic terpene ketone chebi_ontology CHEBI:36130 cyclic terpene ketone cyclic terpene ketone ChEBI A cyclic ketone in which the carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system. alicyclic ketone alicyclic ketones chebi_ontology CHEBI:36132 alicyclic ketone alicyclic ketone IUPAC alicyclic ketones IUPAC Any alicyclic ketone that consists of a cyclopentane skeleton substituted by at least one oxo group. chebi_ontology CHEBI:36140 cyclopentanones Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). CHEBI:13684 CHEBI:26517 Wikipedia:Quinone quinone quinones chebi_ontology Chinon quinones CHEBI:36141 quinone quinone IUPAC quinones IUPAC Chinon ChEBI quinones ChEBI A C7, medium-chain fatty acid carrying a double bond at any position along the main chain. 0 C7H12O2 128.169 128.08373 CAS:25377-46-2 heptenoic acid chebi_ontology heptenoic acids CHEBI:36151 heptenoic acid CAS:25377-46-2 ChemIDplus heptenoic acid IUPAC heptenoic acids ChEBI -2 C4H2O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2 VZCYOOQTPOCHFL-UHFFFAOYSA-L 114.05628 113.99641 [H]C(=C([H])C([O-])=O)C([O-])=O CHEBI:22956 CHEBI:22957 Gmelin:874013 but-2-enedioate chebi_ontology CHEBI:36180 butenedioate Gmelin:874013 Gmelin but-2-enedioate IUPAC chebi_ontology cyclobutanedicarboxylic acids CHEBI:36186 cyclobutanedicarboxylic acid cyclobutanedicarboxylic acids ChEBI chebi_ontology cyclobutanedicarboxylates CHEBI:36205 cyclobutanedicarboxylate cyclobutanedicarboxylates ChEBI The alpha-anomer of lactose. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 GUBGYTABKSRVRQ-XLOQQCSPSA-N 342.29648 342.11621 OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHEBI:35461 CHEBI:43627 CHEBI:6353 Beilstein:90842 CAS:14641-93-1 DrugBank:DB04465 Drug_Central:1535 GlyGen:G88362QR GlyTouCan:G88362QR MetaCyc:LACTOSE PDBeChem:LBT PMID:2432147 Reaxys:90842 alpha-Lactose alpha-lactose beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose chebi_ontology 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose 4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose Anhydrous lactose LACTOSE Lactose Milk sugar WURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a4-b1 beta-D-Galp-(1->4)-alpha-D-Glcp CHEBI:36219 alpha-lactose Beilstein:90842 Beilstein CAS:14641-93-1 ChemIDplus Drug_Central:1535 DrugCentral PMID:2432147 Europe PMC Reaxys:90842 Reaxys alpha-Lactose KEGG_COMPOUND alpha-lactose UniProt beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose IUPAC 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose KEGG_COMPOUND 4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose IUPAC Anhydrous lactose KEGG_COMPOUND LACTOSE PDBeChem Lactose KEGG_COMPOUND Milk sugar KEGG_COMPOUND WURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a4-b1 GlyTouCan beta-D-Galp-(1->4)-alpha-D-Glcp IUPAC A compound in which two monosaccharides are joined by a glycosidic bond. CHEBI:23844 CHEBI:4654 KEGG:C01911 Disaccharide disaccharides chebi_ontology Disaccharid Disacharid disacarido disacaridos CHEBI:36233 disaccharide disaccharide Disaccharide KEGG_COMPOUND disaccharides IUPAC Disaccharid ChEBI Disacharid ChEBI disacarido ChEBI disacaridos IUPAC A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24. 0 C24H40O2 InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1 RPKLZQLYODPWTM-KBMWBBLPSA-N 360.57320 360.30283 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O CAS:25312-65-6 Patent:JP2008069152 Reaxys:13246008 cholan-24-oic acid chebi_ontology CHEBI:36237 cholanic acid CAS:25312-65-6 ChemIDplus Reaxys:13246008 Reaxys cholan-24-oic acid IUPAC 0 C24H40O2 InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 RPKLZQLYODPWTM-LVVAJZGHSA-N 360.57320 360.30283 [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O Beilstein:3214794 CAS:546-18-9 LIPID_MAPS_instance:LMST04010441 5beta-cholan-24-oic acid 5beta-cholanic acid chebi_ontology (5beta)-cholan-24-oic acid (5beta,17beta)-gamma-methylandrostane-17-butanoic acid 5beta-cholanoic acid ursocholanic acid CHEBI:36238 5beta-cholanic acid Beilstein:3214794 Beilstein CAS:546-18-9 ChemIDplus LIPID_MAPS_instance:LMST04010441 LIPID MAPS 5beta-cholan-24-oic acid IUPAC 5beta-cholanic acid ChemIDplus (5beta)-cholan-24-oic acid ChemIDplus (5beta,17beta)-gamma-methylandrostane-17-butanoic acid ChemIDplus 5beta-cholanoic acid ChemIDplus ursocholanic acid ChemIDplus Members of the class of cholanic acids based on a 5beta-cholane skeleton. chebi_ontology CHEBI:36248 5beta-cholanic acids The conjugate base of but-2-enoic acid. -1 C4H5O2 InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/p-1 LDHQCZJRKDOVOX-UHFFFAOYSA-M 85.08130 85.02950 [H]C(C)=CC([O-])=O CHEBI:11530 CHEBI:19482 CHEBI:36251 Beilstein:3587578 Gmelin:324282 but-2-enoate chebi_ontology 2-butenoate CHEBI:36258 but-2-enoate Beilstein:3587578 Beilstein Gmelin:324282 Gmelin but-2-enoate IUPAC 2-butenoate ChEBI chebi_ontology transition element oxoacids transition metal oxoacid transition metal oxoacids CHEBI:36265 transition element oxoacid transition element oxoacids ChEBI transition metal oxoacid ChEBI transition metal oxoacids ChEBI CHEBI:23166 CHEBI:23211 chebi_ontology CHEBI:36278 cholanic acids chebi_ontology tricarboxylic acid monoanions CHEBI:36299 tricarboxylic acid monoanion tricarboxylic acid monoanions ChEBI chebi_ontology tricarboxylic acid dianions CHEBI:36300 tricarboxylic acid dianion tricarboxylic acid dianions ChEBI Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14. 0 C20H32O2 InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22) YZXBAPSDXZZRGB-UHFFFAOYSA-N 304.46688 304.24023 [H]C(CCCC(O)=O)=CCC([H])=CCC([H])=CCC([H])=CCCCCC LINCS:LSM-6527 icosa-5,8,11,14-tetraenoic acid chebi_ontology 5,8,11,14-20:4 5,8,11,14-eicosatetraenoic acid 5,8,11,14-eicosatetraenoic acids 5,8,11,14-icosatetraenoic acid 5,8,11,14-icosatetraenoic acids C20:4, n-6,9,12,15 eicosa-5,8,11,14-tetraenoic acid eicosa-5,8,11,14-tetraenoic acids icosa-5,8,11,14-tetraenoic acids CHEBI:36306 icosa-5,8,11,14-tetraenoic acid icosa-5,8,11,14-tetraenoic acid IUPAC 5,8,11,14-20:4 ChEBI 5,8,11,14-eicosatetraenoic acid ChEBI 5,8,11,14-eicosatetraenoic acids ChEBI 5,8,11,14-icosatetraenoic acid ChEBI 5,8,11,14-icosatetraenoic acids ChEBI C20:4, n-6,9,12,15 ChEBI eicosa-5,8,11,14-tetraenoic acid ChEBI eicosa-5,8,11,14-tetraenoic acids ChEBI icosa-5,8,11,14-tetraenoic acids ChEBI macrocyclic tetrapyrroles chebi_ontology cyclic tetrapyrroles macrocyclic tetrapyrrole CHEBI:36309 cyclic tetrapyrrole macrocyclic tetrapyrroles IUPAC cyclic tetrapyrroles ChEBI macrocyclic tetrapyrrole ChEBI The glycerol phosphate ester of a phosphocholine. A nutrient with many different roles in human health. CHEBI:26698 CHEBI:35763 PMID:8467564 chebi_ontology glycerophosphocholines CHEBI:36313 glycerophosphocholine PMID:8467564 Europe PMC glycerophosphocholines ChEBI Unsaturated C18 fatty acids and skeletally related compounds. chebi_ontology octadecanoids CHEBI:36326 octadecanoid octadecanoids ChEBI Hydroperoxy-octadecadienoic acids, formed in mammalian cells by peroxidation of linoleic acid. PMID:23680403 chebi_ontology HPODEs CHEBI:36329 HPODE PMID:23680403 Europe PMC HPODEs ChEBI Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. local anaesthetic chebi_ontology Lokalanaesthetikum anesthesique local local anaesthetics local anesthetics CHEBI:36333 local anaesthetic local anaesthetic IUPAC Lokalanaesthetikum ChEBI anesthesique local ChEBI local anaesthetics ChEBI local anesthetics ChEBI A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. chebi_ontology antitrypanosomal agent antitrypanosomal agents antitrypanosomal drug antitrypanosomal drugs trypanocidal drugs trypanocide trypanosomicidal agents CHEBI:36335 trypanocidal drug antitrypanosomal agent ChEBI antitrypanosomal agents ChEBI antitrypanosomal drug ChEBI antitrypanosomal drugs ChEBI trypanocidal drugs ChEBI trypanocide ChEBI trypanosomicidal agents ChEBI chebi_ontology naphthalenesulfonic acids CHEBI:36336 naphthalenesulfonic acid naphthalenesulfonic acids ChEBI 0 C21H24N2O InChI=1S/C21H24N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,6,14,17-20H,5,7-12H2/t14-,17-,18-,19-,20-,21+/m0/s1 AGRTUYYPROFOFX-ZMUQRAOQSA-N 320.42814 320.18886 [H][C@@]12CCN3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] Beilstein:44534 strychnidine chebi_ontology CHEBI:36337 strychnidine Beilstein:44534 Beilstein strychnidine IUPAC Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin). chebi_ontology leptons CHEBI:36338 lepton leptons ChEBI Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy). chebi_ontology baryons CHEBI:36339 baryon baryons ChEBI Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi. fermion chebi_ontology fermions CHEBI:36340 fermion fermion IUPAC fermions ChEBI Particle of integer spin quantum number following Bose-Einstein statistics. Bosons are named after Satyendra Nath Bose. boson chebi_ontology bosons CHEBI:36341 boson boson IUPAC bosons ChEBI A particle smaller than an atom. Wikipedia:Subatomic_particle chebi_ontology subatomic particles CHEBI:36342 subatomic particle subatomic particles ChEBI A subatomic particle known to have substructure (i.e. consisting of smaller particles). chebi_ontology composite particles CHEBI:36343 composite particle composite particles ChEBI Hadron is a subatomic particle which experiences the strong force. chebi_ontology hadrons CHEBI:36344 hadron hadrons ChEBI A nucleus or any of its constituents in any of their energy states. nuclear particle chebi_ontology CHEBI:36347 nuclear particle nuclear particle IUPAC Any molecular entity consisting of more than one atom. chebi_ontology polyatomic entities CHEBI:36357 polyatomic entity polyatomic entities ChEBI An ion consisting of more than one atom. chebi_ontology polyatomic ions CHEBI:36358 polyatomic ion polyatomic ions ChEBI phosphorus oxoacid derivative chebi_ontology CHEBI:36359 phosphorus oxoacid derivative phosphorus oxoacid derivative ChEBI chebi_ontology CHEBI:36360 phosphorus oxoacids and derivatives 0 H3O3P InChI=1S/H3O3P/c1-4(2)3/h1-3H OJMIONKXNSYLSR-UHFFFAOYSA-N 81.99578 81.98198 [H]OP(O[H])O[H] CHEBI:26081 CHEBI:29196 CAS:10294-56-1 Gmelin:164068 phosphorous acid trihydrogen trioxophosphate(3-) trihydroxidophosphorus trioxophosphoric(3-) acid chebi_ontology H3PO3 P(OH)3 [P(OH)3] phosphite phosphorige Saeure CHEBI:36361 phosphorous acid CAS:10294-56-1 ChemIDplus CAS:10294-56-1 NIST Chemistry WebBook Gmelin:164068 Gmelin phosphorous acid IUPAC trihydrogen trioxophosphate(3-) IUPAC trihydroxidophosphorus IUPAC trioxophosphoric(3-) acid IUPAC H3PO3 IUPAC H3PO3 NIST_Chemistry_WebBook P(OH)3 IUPAC [P(OH)3] IUPAC phosphite UniProt phosphorige Saeure ChEBI chebi_ontology alkaline earth salts CHEBI:36364 alkaline earth salt alkaline earth salts ChEBI An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. 0 C18H26ClN3 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) WHTVZRBIWZFKQO-UHFFFAOYSA-N 319.87200 319.18153 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Beilstein:482809 CAS:54-05-7 DrugBank:DB00608 Drug_Central:607 Gmelin:781126 HMDB:HMDB0014746 KEGG:C07625 KEGG:D02366 LINCS:LSM-1901 PDBeChem:CLQ PMID:11198399 PMID:17594118 PMID:18052874 PMID:19426658 PMID:23288916 PMID:23580861 PMID:23635029 PMID:23644906 PMID:23706562 PMID:23852712 PMID:23891850 PMID:25285162 Patent:DE683692 Patent:US2233970 Reaxys:482809 Wikipedia:Chloroquine Chloroquine N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine chebi_ontology Aralen Artrichin Bemaphate Capquin Chlorochin N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine Nivaquine B Resoquine Reumachlor Sanoquin chloroquine chloroquinum cloroquina CHEBI:3638 chloroquine Beilstein:482809 Beilstein CAS:54-05-7 ChemIDplus CAS:54-05-7 KEGG COMPOUND CAS:54-05-7 NIST Chemistry WebBook Drug_Central:607 DrugCentral Gmelin:781126 Gmelin PMID:11198399 Europe PMC PMID:17594118 Europe PMC PMID:18052874 Europe PMC PMID:19426658 Europe PMC PMID:23288916 Europe PMC PMID:23580861 Europe PMC PMID:23635029 Europe PMC PMID:23644906 Europe PMC PMID:23706562 Europe PMC PMID:23852712 Europe PMC PMID:23891850 Europe PMC PMID:25285162 Europe PMC Reaxys:482809 Reaxys Chloroquine KEGG_COMPOUND N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine IUPAC Aralen DrugBank Artrichin DrugBank Bemaphate DrugBank Capquin DrugBank Chlorochin ChemIDplus N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine NIST_Chemistry_WebBook Nivaquine B DrugBank Resoquine DrugBank Reumachlor DrugBank Sanoquin DrugBank chloroquine ChemIDplus chloroquine WHO_MedNet chloroquinum ChemIDplus cloroquina ChemIDplus A compound derived from an alkene by replacing a hydrogen atom with a chlorine atom. chebi_ontology chloroalkenes CHEBI:36387 chloroalkene chloroalkenes ChEBI chebi_ontology saturated heterocyclic parent hydride saturated heterocyclic parent hydrides saturated organic heterocyclic parents CHEBI:36388 saturated organic heterocyclic parent saturated heterocyclic parent hydride ChEBI saturated heterocyclic parent hydrides ChEBI saturated organic heterocyclic parents ChEBI chebi_ontology saturated heteromonocyclic parent hydride saturated heteromonocyclic parent hydrides saturated organic heteromonocyclic parents CHEBI:36389 saturated organic heteromonocyclic parent saturated heteromonocyclic parent hydride ChEBI saturated heteromonocyclic parent hydrides ChEBI saturated organic heteromonocyclic parents ChEBI A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. 0 C8Cl4N2 InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 CRQQGFGUEAVUIL-UHFFFAOYSA-N 265.90988 263.88156 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl Beilstein:1978326 CAS:1897-45-6 KEGG:C11037 PMID:11016668 PMID:14575671 PMID:17482661 PMID:23116300 PMID:23866729 PMID:24455968 PMID:24984836 PMID:24990551 PPDB:150 Patent:US3290353 Patent:US3652637 Pesticides:chlorothalonil Reaxys:1978326 Wikipedia:Chlorothalonil 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile Chlorothalonil chlorothalonil chebi_ontology 1,3-Dicyanotetrachlorobenzene 2,4,5,6-Tetrachloro-3-cyanobenzonitrile Daconil TPN Tetrachloroisophthalonitrile m-TCPN m-Tetrachlorophthalonitrile meta-TCPN meta-Tetrachlorophthalodinitrile CHEBI:3639 chlorothalonil Beilstein:1978326 Beilstein CAS:1897-45-6 KEGG COMPOUND CAS:1897-45-6 NIST Chemistry WebBook PMID:11016668 Europe PMC PMID:14575671 Europe PMC PMID:17482661 Europe PMC PMID:23116300 Europe PMC PMID:23866729 Europe PMC PMID:24455968 Europe PMC PMID:24984836 Europe PMC PMID:24990551 Europe PMC Pesticides:chlorothalonil Alan Wood's Pesticides Reaxys:1978326 Reaxys 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile IUPAC Chlorothalonil KEGG_COMPOUND chlorothalonil UniProt 1,3-Dicyanotetrachlorobenzene ChemIDplus 2,4,5,6-Tetrachloro-3-cyanobenzonitrile ChemIDplus Daconil KEGG_COMPOUND TPN KEGG_COMPOUND Tetrachloroisophthalonitrile KEGG_COMPOUND m-TCPN ChemIDplus m-Tetrachlorophthalonitrile ChemIDplus meta-TCPN ChemIDplus meta-Tetrachlorophthalodinitrile ChemIDplus An unsaturated monocyclic hydrocarbon having two endocyclic double bonds. cycloalkadiene cycloalkadienes chebi_ontology CHEBI:36401 cycloalkadiene cycloalkadiene IUPAC cycloalkadienes IUPAC A monocyclic hydrocarbon having any number of double bonds. chebi_ontology monocyclic olefins CHEBI:36403 monocyclic olefin monocyclic olefins ChEBI A cycloalkene that is cylohexane with a single double bond. 0 C6H10 InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2 HGCIXCUEYOPUTN-UHFFFAOYSA-N 82.14360 82.07825 C1CCC=CC1 Beilstein:906737 CAS:110-83-8 Gmelin:1659 PMID:24227283 Reaxys:906737 Wikipedia:Cyclohexene cyclohexene chebi_ontology 1,2,3,4-tetrahydrobenzene 1-cyclohexene 3,4,5,6-tetrahydrobenzene Zyklohexen benzene tetrahydride benzenetetrahydride cyclohex-1-ene tetrahydrobenzene CHEBI:36404 cyclohexene Beilstein:906737 Beilstein CAS:110-83-8 ChemIDplus CAS:110-83-8 NIST Chemistry WebBook Gmelin:1659 Gmelin PMID:24227283 Europe PMC Reaxys:906737 Reaxys cyclohexene IUPAC 1,2,3,4-tetrahydrobenzene NIST_Chemistry_WebBook 1-cyclohexene NIST_Chemistry_WebBook 3,4,5,6-tetrahydrobenzene ChemIDplus Zyklohexen ChEBI benzene tetrahydride NIST_Chemistry_WebBook benzenetetrahydride ChemIDplus cyclohex-1-ene NIST_Chemistry_WebBook tetrahydrobenzene NIST_Chemistry_WebBook chebi_ontology mancude organic heterotricyclic parents mancude-ring organic heterotricyclic parents CHEBI:36416 mancude organic heterotricyclic parent mancude organic heterotricyclic parents ChEBI mancude-ring organic heterotricyclic parents ChEBI 0 C20H38 InChI=1S/C20H38/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16+,17+,18+,20-/m1/s1 LEWJAHURGICVRE-AISVETHESA-N 278.524 278.29735 C1CC[C@@]2([C@@H](CC[C@@H](CC)C)[C@H](CC[C@@]2([H])C1(C)C)C)C Beilstein:6774712 labdane chebi_ontology CHEBI:36505 labdane Beilstein:6774712 Beilstein labdane IUPAC 0 OZn InChI=1S/O.Zn XLOMVQKBTHCTTD-UHFFFAOYSA-N 81.38940 79.92406 O=[Zn] CHEBI:30186 CHEBI:32311 CAS:1314-13-2 Drug_Central:4240 Gmelin:13738 KEGG:D01170 PPDB:1321 Wikipedia:Zinc_Oxide zinc oxide chebi_ontology Zinkoxid ZnO oxido de cinc oxyde de zinc CHEBI:36560 zinc oxide CAS:1314-13-2 ChemIDplus CAS:1314-13-2 NIST Chemistry WebBook Drug_Central:4240 DrugCentral Gmelin:13738 Gmelin zinc oxide IUPAC Zinkoxid ChEBI ZnO IUPAC oxido de cinc ChEBI oxyde de zinc ChEBI A coordination entity in which the central atom to which the ligands are attached comes from groups 1, 2, 13, 14, 15, 16, 17, or 18 of the periodic table. chebi_ontology main group coordination compounds main-group coordination entities CHEBI:36562 main-group coordination entity main group coordination compounds ChEBI main-group coordination entities ChEBI chebi_ontology zinc group coordination compounds zinc group coordination entities CHEBI:36563 zinc group coordination entity zinc group coordination compounds ChEBI zinc group coordination entities ChEBI chebi_ontology zinc coordination compounds zinc coordination entities CHEBI:36566 zinc coordination entity zinc coordination compounds ChEBI zinc coordination entities ChEBI Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives. carbonyl compounds chebi_ontology CHEBI:36586 carbonyl compound carbonyl compounds IUPAC Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element. oxo compounds chebi_ontology organic oxo compounds CHEBI:36587 organic oxo compound oxo compounds IUPAC organic oxo compounds ChEBI A coordination entity that is coordination complex of a metals with one or more carbon monoxide ligands. Wikipedia:Metal_carbonyl metal carbonyls chebi_ontology metal carbonyls CHEBI:36604 metal carbonyl metal carbonyls IUPAC metal carbonyls ChEBI The cyclic dicarboxylic anhydride that is the anhydride of phthalic acid. 0 C8H4O3 InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H LGRFSURHDFAFJT-UHFFFAOYSA-N 148.11556 148.01604 O=C1OC(=O)c2ccccc12 Beilstein:118515 CAS:85-44-9 Gmelin:27200 PMID:12269934 PMID:1447476 PMID:21901887 PMID:21902644 PMID:22222149 PMID:22883110 PMID:22887795 PMID:23549605 PMID:23680900 Reaxys:118515 Wikipedia:Phthalic_anhydride 2-benzofuran-1,3-dione phthalic anhydride chebi_ontology 1,2-benzenedicarboxylic acid anhydride 1,3-dioxophthalan 1,3-isobenzofurandione 1,3-phthalandione Phthalsaeureanhydrid o-phthalic acid anhydride ortho-phthalic acid anhydride CHEBI:36605 phthalic anhydride Beilstein:118515 Beilstein CAS:85-44-9 ChemIDplus CAS:85-44-9 NIST Chemistry WebBook Gmelin:27200 Gmelin PMID:12269934 Europe PMC PMID:1447476 Europe PMC PMID:21901887 Europe PMC PMID:21902644 Europe PMC PMID:22222149 Europe PMC PMID:22883110 Europe PMC PMID:22887795 Europe PMC PMID:23549605 Europe PMC PMID:23680900 Europe PMC Reaxys:118515 Reaxys 2-benzofuran-1,3-dione IUPAC phthalic anhydride ChemIDplus 1,2-benzenedicarboxylic acid anhydride NIST_Chemistry_WebBook 1,3-dioxophthalan NIST_Chemistry_WebBook 1,3-isobenzofurandione NIST_Chemistry_WebBook 1,3-phthalandione ChemIDplus Phthalsaeureanhydrid ChEBI o-phthalic acid anhydride NIST_Chemistry_WebBook ortho-phthalic acid anhydride ChEBI Compounds consisting of two acyl groups bonded to the same oxygen atom acyl-O-acyl. acid anhydride acid anhydrides chebi_ontology acid anhydrides anhydride d'acide CHEBI:36606 acid anhydride acid anhydride IUPAC acid anhydrides IUPAC acid anhydrides ChEBI anhydride d'acide ChEBI Acid anhydrides derived by loss of water between two oxoacid functions RkE(=O)l(OH)m (l =/= 0) (carboxylic, sulfonic, etc.) in the same molecule so as to close a ring. cyclic acid anhydrides chebi_ontology cyclic acid anhydrides cyclic anhydrides CHEBI:36607 cyclic acid anhydride cyclic acid anhydrides IUPAC cyclic acid anhydrides ChEBI cyclic anhydrides IUPAC acyclic acid anhydride acyclic acid anhydrides chebi_ontology acyclic acid anhydrides acyclic anhydrides CHEBI:36608 acyclic acid anhydride acyclic acid anhydride ChEBI acyclic acid anhydrides IUPAC acyclic acid anhydrides ChEBI acyclic anhydrides IUPAC An acid anhydride derived by loss of water between two carboxylic groups in the same molecule so as to close a ring. chebi_ontology cyclic carboxylic acid anhydrides cyclic carboxylic anhydride cyclic dicarboxylic anhydrides CHEBI:36609 cyclic dicarboxylic anhydride cyclic carboxylic acid anhydrides ChEBI cyclic carboxylic anhydride ChEBI cyclic dicarboxylic anhydrides ChEBI An acyclic carboxylic anhydride derived from acetic acid. 0 C4H6O3 InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3 WFDIJRYMOXRFFG-UHFFFAOYSA-N 102.08864 102.03169 CC(=O)OC(C)=O Beilstein:385737 CAS:108-24-7 Gmelin:26415 HMDB:HMDB0031646 PMID:25704707 PMID:25857991 PMID:26139873 PMID:26256347 Reaxys:385737 Wikipedia:Acetic_anhydride acetic anhydride chebi_ontology (CH3CO)2O (MeCO)2O Ac2O Essigsaeureanhydrid acetanhydride acetic acid anhydride acetyl acetate acetyl oxide anhydride acetique ethanoic anhydrate ethanoic anhydride CHEBI:36610 acetic anhydride Beilstein:385737 Beilstein CAS:108-24-7 ChemIDplus CAS:108-24-7 NIST Chemistry WebBook Gmelin:26415 Gmelin PMID:25704707 Europe PMC PMID:25857991 Europe PMC PMID:26139873 Europe PMC PMID:26256347 Europe PMC Reaxys:385737 Reaxys acetic anhydride IUPAC (CH3CO)2O ChEBI (MeCO)2O ChEBI Ac2O ChEBI Essigsaeureanhydrid ChEBI acetanhydride NIST_Chemistry_WebBook acetic acid anhydride NIST_Chemistry_WebBook acetyl acetate HMDB acetyl oxide ChemIDplus anhydride acetique ChEBI ethanoic anhydrate NIST_Chemistry_WebBook ethanoic anhydride NIST_Chemistry_WebBook Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). CHEBI:27151 CHEBI:9748 KEGG:C06085 Triterpenoid chebi_ontology triterpenoides triterpenoids CHEBI:36615 triterpenoid triterpenoid A naphthyridine in which the nitrogens are at positions 1 and 4. 0 C8H6N2 InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H XSCHRSMBECNVNS-UHFFFAOYSA-N 130.14672 130.05310 c1ccc2nccnc2c1 Beilstein:109351 CAS:91-19-0 Gmelin:82755 KEGG:C18575 PMID:16406213 PMID:24328679 PMID:24476762 PMID:27349448 Reaxys:109351 Wikipedia:Quinoxaline quinoxaline chebi_ontology 1,4-benzodiazine 1,4-diazanaphthalene 1,4-naphthyridine Chinoxalin benzo[a]pyrazine benzoparadiazine benzopyrazine CHEBI:36616 quinoxaline Beilstein:109351 Beilstein CAS:91-19-0 ChemIDplus CAS:91-19-0 KEGG COMPOUND CAS:91-19-0 NIST Chemistry WebBook Gmelin:82755 Gmelin PMID:16406213 Europe PMC PMID:24328679 Europe PMC PMID:24476762 Europe PMC PMID:27349448 Europe PMC Reaxys:109351 Reaxys quinoxaline IUPAC 1,4-benzodiazine ChemIDplus 1,4-diazanaphthalene ChemIDplus 1,4-naphthyridine NIST_Chemistry_WebBook Chinoxalin ChEBI benzo[a]pyrazine NIST_Chemistry_WebBook benzoparadiazine ChemIDplus benzopyrazine ChEBI A mancude organic heterobicyclic parent that is a heterocyclic organic compound comprising fused benzene and imidazole rings. 0 C7H6N2 118.136 118.05310 Wikipedia:Benzimidazole benzimidazole chebi_ontology Benzimidazol CHEBI:36622 benzimidazole benzimidazole IUPAC Benzimidazol ChEBI 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5H,4H2 VSTRESXSGAUGKC-UHFFFAOYSA-N 118.13602 118.05310 C1C=CC=C2N=CN=C12 4H-benzimidazole chebi_ontology CHEBI:36623 4H-benzimidazole 4H-benzimidazole IUPAC Any one of eight organic heterobicyclic compounds that have a naphthalene skeleton in which two of the carbons are replaced by nitrogens. A 'closed' class. 0 C8H6N2 130.147 130.05310 Wikipedia:Naphthyridine naphthyridine chebi_ontology CHEBI:36624 naphthyridine naphthyridine IUPAC acyclic carboxylic acid anhydrides acyclic carboxylic anhydride chebi_ontology acyclic carboxylic anhydrides CHEBI:36631 acyclic carboxylic anhydride acyclic carboxylic acid anhydrides IUPAC acyclic carboxylic anhydride ChEBI acyclic carboxylic anhydrides ChEBI 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2 NLMVLMCSXDIGSW-UHFFFAOYSA-N 118.13602 118.05310 C1N=c2ccccc2=N1 2H-benzimidazole chebi_ontology CHEBI:36639 2H-benzimidazole 2H-benzimidazole IUPAC 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H VRKAZVNMMPXRKG-UHFFFAOYSA-N 118.13602 118.05310 C1=CC2N=CN=C2C=C1 3aH-benzimidazole chebi_ontology CHEBI:36641 3aH-benzimidazole 3aH-benzimidazole IUPAC tellurium coordination entity chebi_ontology tellurium coordination compounds tellurium coordination entities CHEBI:36651 tellurium coordination entity tellurium coordination entity ChEBI tellurium coordination compounds ChEBI tellurium coordination entities ChEBI chebi_ontology CHEBI:36660 elemental tellurium aluminium coordination entity chebi_ontology aluminium coordination compounds aluminium coordination entities aluminum coordination compounds CHEBI:36668 aluminium coordination entity aluminium coordination entity ChEBI aluminium coordination compounds ChEBI aluminium coordination entities ChEBI aluminum coordination compounds ChEBI Any dibenzodioxine in which two or more hydrogens have been replaced by chlorines. Wikipedia:Polychlorinated_dibenzodioxins chebi_ontology PCDD PCDDs dioxin dioxins polychlorinated dibenzodioxines polychlorinated dibenzodioxins CHEBI:36682 polychlorinated dibenzodioxine PCDD ChEBI PCDDs ChEBI dioxin ChEBI dioxins ChEBI polychlorinated dibenzodioxines ChEBI polychlorinated dibenzodioxins ChEBI An organochlorine compound is a compound containing at least one carbon-chlorine bond. 0 ClR 35.453 34.96885 *Cl MetaCyc:Chlorides Wikipedia:Organochloride organochlorine compound chebi_ontology an organochlorine molecule chloroorganic compounds chlororganische Verbindungen organochloride organochloride compound organochloride compounds organochlorides organochlorine compounds CHEBI:36683 organochlorine compound organochlorine compound organochlorine compound ChEBI an organochlorine molecule UniProt chloroorganic compounds ChEBI chlororganische Verbindungen ChEBI organochloride ChEBI organochloride compound ChEBI organochloride compounds ChEBI organochlorides ChEBI organochlorine compounds ChEBI A carboxylic acid containing at least one chloro group. chebi_ontology chlorocarboxylic acids CHEBI:36685 chlorocarboxylic acid chlorocarboxylic acids ChEBI A compound derived from an arene by replacing a hydrogen atom with a chlorine atom. chebi_ontology aryl chloride aryl chlorides chloroarenes CHEBI:36686 chloroarene aryl chloride ChEBI aryl chlorides ChEBI chloroarenes ChEBI A compound consisting of an acyl group bonded to chlorine. chebi_ontology acid chloride acyl chlorides CHEBI:36687 acyl chloride acid chloride ChEBI acyl chlorides ChEBI heterotricyclic compound heterotricyclic compounds chebi_ontology heterotricyclic compounds CHEBI:36688 heterotricyclic compound heterotricyclic compound ChEBI heterotricyclic compounds IUPAC heterotricyclic compounds ChEBI A dichlorobenzene carrying chloro substituents at positions 1 and 3. 0 C6H4Cl2 InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H ZPQOPVIELGIULI-UHFFFAOYSA-N 147.00136 145.96901 Clc1cccc(Cl)c1 Beilstein:956618 CAS:541-73-1 Gmelin:142106 HMDB:HMDB0059855 KEGG:C19397 PMID:1352205 PMID:22283148 PMID:3952733 PMID:4035682 PMID:6470924 Reaxys:956618 1,3-dichlorobenzene chebi_ontology m-dichlorobenzene m-phenylene dichloride meta-Dichlorobenzene meta-dichlorobenzene metadichlorobenzene CHEBI:36693 1,3-dichlorobenzene Beilstein:956618 Beilstein CAS:541-73-1 ChemIDplus CAS:541-73-1 KEGG COMPOUND CAS:541-73-1 NIST Chemistry WebBook Gmelin:142106 Gmelin PMID:1352205 Europe PMC PMID:22283148 Europe PMC PMID:3952733 Europe PMC PMID:4035682 Europe PMC PMID:6470924 Europe PMC Reaxys:956618 Reaxys 1,3-dichlorobenzene IUPAC m-dichlorobenzene NIST_Chemistry_WebBook m-phenylene dichloride NIST_Chemistry_WebBook meta-Dichlorobenzene KEGG_COMPOUND meta-dichlorobenzene ChemIDplus metadichlorobenzene NIST_Chemistry_WebBook Any of a class of steroid hormones that are produced in the adrenal cortex. chebi_ontology adrenal cortex hormones corticosteroid hormones CHEBI:36699 corticosteroid hormone adrenal cortex hormones ChEBI corticosteroid hormones ChEBI Any compound having phosphocholine as part of its structure. chebi_ontology O-phosphocholines choline phosphates phosphorylcholines CHEBI:36700 phosphocholines O-phosphocholines ChEBI choline phosphates ChEBI phosphorylcholines ChEBI An alkyl,acyl-sn-glycero-3-phosphocholine in which unspecified alkyl and acyl groups are located at positions 1 and 2 respectively. 0 C9H18NO7PR2 283.21550 283.08209 C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](CO[*])OC([*])=O CHEBI:11498 CHEBI:19008 CHEBI:19436 CHEBI:58666 KEGG:C05212 chebi_ontology 1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine 1-Organyl-2-acyl-sn-glycero-3-phosphocholine 1-Radyl-2-acyl-sn-glycero-3-phosphocholine 2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaines 2-acyl-1-alkyl-sn-glycero-3-phosphocholines CHEBI:36702 2-acyl-1-alkyl-sn-glycero-3-phosphocholine 1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine UniProt 1-Organyl-2-acyl-sn-glycero-3-phosphocholine KEGG_COMPOUND 1-Radyl-2-acyl-sn-glycero-3-phosphocholine KEGG_COMPOUND 2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaines ChEBI 2-acyl-1-alkyl-sn-glycero-3-phosphocholines ChEBI A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine where the 2-O-acyl group is specified as acetyl; a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. 0 C10H21NO7PR 298.25000 298.10556 CC(=O)O[C@H](CO[*])COP([O-])(=O)OCC[N+](C)(C)C CHEBI:11238 CHEBI:11496 CHEBI:19004 CHEBI:19434 CHEBI:595 CHEBI:63915 KEGG:C04598 PMID:7639802 chebi_ontology 1-Alkyl-2-acetyl-sn-glycero-3-phosphocholine 1-alkyl-2-acetyl-sn-glycero-3-phosphocholines 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine zwitterion a 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine platelet-activating factor CHEBI:36707 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine PMID:7639802 Europe PMC 1-Alkyl-2-acetyl-sn-glycero-3-phosphocholine KEGG_COMPOUND 1-alkyl-2-acetyl-sn-glycero-3-phosphocholines ChEBI 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine zwitterion ChEBI a 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine UniProt platelet-activating factor ChEBI Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups. aminoquinoline chebi_ontology aminoquinolines CHEBI:36709 aminoquinoline aminoquinoline ChEBI aminoquinolines ChEBI Any polychlorobiphenyl with molecular formula C12H8Cl2. 0 C12H8Cl2 223.09732 222.00031 dichloro-1,1'-biphenyl chebi_ontology CHEBI:36718 dichlorobiphenyl dichloro-1,1'-biphenyl IUPAC Any polychlorobiphenyl with molecular formula C12H7Cl3. 0 C12H7Cl3 257.54208 255.96133 trichloro-1,1'-biphenyl chebi_ontology trichlorobiphenyls CHEBI:36719 trichlorobiphenyl trichloro-1,1'-biphenyl IUPAC trichlorobiphenyls ChEBI Any polychlorobiphenyl with molecular formula C12H6Cl4. 0 C12H6Cl4 291.98684 289.92236 tetrachloro-1,1'-biphenyl chebi_ontology CHEBI:36720 tetrachlorobiphenyl tetrachloro-1,1'-biphenyl IUPAC Any polychlorobiphenyl with molecular formula C12H5Cl5. 0 C12H5Cl5 326.43160 323.88339 pentachloro-1,1'-biphenyl chebi_ontology pentachlorobiphenyls CHEBI:36721 pentachlorobiphenyl pentachloro-1,1'-biphenyl IUPAC pentachlorobiphenyls ChEBI Any polychlorobiphenyl with molecular formula C12H4Cl6. 0 C12H4Cl6 360.87636 357.84442 hexachloro-1,1'-biphenyl chebi_ontology hexachlorobiphenyls CHEBI:36722 hexachlorobiphenyl hexachloro-1,1'-biphenyl IUPAC hexachlorobiphenyls ChEBI A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. 0 C10H16 InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 GRWFGVWFFZKLTI-UHFFFAOYSA-N 136.23404 136.12520 CC1=CCC2CC1C2(C)C CHEBI:10326 CHEBI:22467 BPDB:2017 Beilstein:3194807 CAS:2437-95-8 CAS:80-56-8 KEGG:C09880 KNApSAcK:C00000805 LIPID_MAPS_instance:LMPR0102120017 MetaCyc:Alpha-pinene PMID:11868675 PMID:23513743 Reaxys:3194807 UM-BBD_compID:c0634 Wikipedia:Alpha-Pinene 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene alpha-Pinene alpha-pinene pin-2-ene chebi_ontology (+-)-2-pinene (+-)-alpha-pinene 2-pinene acintene A pin-2(3)-ene CHEBI:36740 alpha-pinene Beilstein:3194807 ChemIDplus CAS:2437-95-8 KEGG COMPOUND CAS:80-56-8 ChemIDplus CAS:80-56-8 KEGG COMPOUND CAS:80-56-8 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0102120017 LIPID MAPS PMID:11868675 Europe PMC PMID:23513743 Europe PMC Reaxys:3194807 Reaxys UM-BBD_compID:c0634 UM-BBD 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene IUPAC alpha-Pinene KEGG_COMPOUND alpha-pinene UniProt pin-2-ene IUPAC (+-)-2-pinene UM-BBD (+-)-alpha-pinene UM-BBD 2-pinene ChemIDplus acintene A NIST_Chemistry_WebBook pin-2(3)-ene UM-BBD A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. 0 C15H32 InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3 YFHFHLSMISYUAQ-UHFFFAOYSA-N 212.41458 212.25040 CCC(C)CCCC(C)CCCC(C)C Beilstein:1719672 CAS:3891-98-3 LIPID_MAPS_instance:LMPR0103010000 MetaCyc:CPD-8764 Patent:US2008098645 Patent:US7399323 Reaxys:1719672 2,6,10-trimethyldodecane farnesane chebi_ontology Farnesan CHEBI:36756 farnesane Beilstein:1719672 Beilstein CAS:3891-98-3 ChemIDplus CAS:3891-98-3 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0103010000 LIPID MAPS Reaxys:1719672 Reaxys 2,6,10-trimethyldodecane IUPAC farnesane NIST_Chemistry_WebBook Farnesan NIST_Chemistry_WebBook farnesane sesquiterpenoid chebi_ontology farnesane sesquiterpenoids CHEBI:36757 farnesane sesquiterpenoid farnesane sesquiterpenoid ChEBI farnesane sesquiterpenoids ChEBI chebi_ontology apo carotenoid sesquiterpenoids apocarotenoid sesquiterpenoid apocarotenoid sesquiterpenoids CHEBI:36758 apo carotenoid sesquiterpenoid apo carotenoid sesquiterpenoids ChEBI apocarotenoid sesquiterpenoid ChEBI apocarotenoid sesquiterpenoids ChEBI chebi_ontology CHEBI:36765 gibberellane chebi_ontology CHEBI:36766 ent-gibberellane Any diterpenoid with a labdane skeleton. chebi_ontology labdane diterpenoids labdanes CHEBI:36770 labdane diterpenoid labdane diterpenoids ChEBI labdanes ChEBI A cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid. 0 C10H16O InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 DSSYKIVIOFKYAU-UHFFFAOYSA-N 152.23340 152.12012 CC1(C)C2CCC1(C)C(=O)C2 Beilstein:1907611 Beilstein:3196099 Beilstein:6475830 CAS:464-48-2 CAS:76-22-2 DrugBank:DB01744 Drug_Central:470 Gmelin:83275 KEGG:C00809 KEGG:C18369 KEGG:D00098 KNApSAcK:C00000135 LIPID_MAPS_instance:LMPR0102120001 MetaCyc:Camphor PMID:17488023 PMID:19384733 PMID:20950270 PMID:21562741 PMID:21620923 PMID:21777420 PMID:21906366 Reaxys:3196099 Wikipedia:Camphor 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one Camphor bornan-2-one camphor chebi_ontology 2-bornanone 2-camphanone 2-keto-1,7,7-trimethylnorcamphane Formosa camphor Japan camphor Kampfer gum camphor laurel camphor root bark oil spirit of camphor CHEBI:36773 camphor Beilstein:1907611 ChemIDplus Beilstein:3196099 ChemIDplus Beilstein:6475830 Beilstein CAS:464-48-2 KEGG COMPOUND CAS:76-22-2 ChemIDplus CAS:76-22-2 KEGG COMPOUND CAS:76-22-2 NIST Chemistry WebBook Drug_Central:470 DrugCentral Gmelin:83275 Gmelin LIPID_MAPS_instance:LMPR0102120001 LIPID MAPS PMID:17488023 Europe PMC PMID:19384733 Europe PMC PMID:20950270 Europe PMC PMID:21562741 Europe PMC PMID:21620923 Europe PMC PMID:21777420 Europe PMC PMID:21906366 Europe PMC Reaxys:3196099 Reaxys 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Camphor KEGG_COMPOUND bornan-2-one IUPAC camphor ChemIDplus camphor UniProt 2-bornanone NIST_Chemistry_WebBook 2-camphanone NIST_Chemistry_WebBook 2-keto-1,7,7-trimethylnorcamphane ChemIDplus Formosa camphor NIST_Chemistry_WebBook Japan camphor NIST_Chemistry_WebBook Kampfer NIST_Chemistry_WebBook gum camphor ChemIDplus laurel camphor NIST_Chemistry_WebBook root bark oil ChemIDplus spirit of camphor ChemIDplus A bicyclic compound in which all the ring atoms are carbon. chebi_ontology carbobicyclic compounds CHEBI:36785 carbobicyclic compound carbobicyclic compounds ChEBI Compounds containing a tetralin skeleton. chebi_ontology 1,2,3,4-tetrahydronaphthalenes CHEBI:36786 tetralins 1,2,3,4-tetrahydronaphthalenes ChEBI A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. 0 C20H21FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 WSEQXVZVJXJVFP-FQEVSTJZSA-N 324.39202 324.16379 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Beilstein:9001444 CAS:128196-01-0 DrugBank:DB01175 Drug_Central:1053 HMDB:HMDB0005028 KEGG:D07913 LINCS:LSM-3569 PMID:14501259 PMID:14594439 PMID:14708881 PMID:15200745 PMID:15609164 PMID:16266205 PMID:16421462 PMID:16937393 PMID:16953656 PMID:18789789 PMID:19710642 PMID:20825390 PMID:24172161 PMID:24176515 PMID:24289655 PMID:24424469 PMID:24469525 PMID:24528284 Wikipedia:Escitalopram (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile chebi_ontology (+)-citalopram (S)-citalopram Esertia S(+)-citalopram S-(+)-citalopram escitalopram escitalopramum CHEBI:36791 escitalopram Beilstein:9001444 Beilstein CAS:128196-01-0 ChemIDplus Drug_Central:1053 DrugCentral PMID:14501259 Europe PMC PMID:14594439 Europe PMC PMID:14708881 Europe PMC PMID:15200745 Europe PMC PMID:15609164 Europe PMC PMID:16266205 Europe PMC PMID:16421462 Europe PMC PMID:16937393 Europe PMC PMID:16953656 Europe PMC PMID:18789789 Europe PMC PMID:19710642 Europe PMC PMID:20825390 Europe PMC PMID:24172161 Europe PMC PMID:24176515 Europe PMC PMID:24289655 Europe PMC PMID:24424469 Europe PMC PMID:24469525 Europe PMC PMID:24528284 Europe PMC (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile IUPAC (+)-citalopram ChEBI (S)-citalopram ChemIDplus Esertia KEGG_DRUG S(+)-citalopram ChemIDplus S-(+)-citalopram ChEBI escitalopram WHO_MedNet escitalopramum WHO_MedNet A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram. 0 C20H21FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1 WSEQXVZVJXJVFP-HXUWFJFHSA-N 324.39202 324.16379 CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Beilstein:9001443 PMID:14501259 Reaxys:9001443 chebi_ontology (-)-citalopram (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (R)-(-)-citalopram CHEBI:36792 (R)-citalopram Beilstein:9001443 Beilstein PMID:14501259 Europe PMC Reaxys:9001443 Reaxys (-)-citalopram ChEBI (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile ChEBI (R)-(-)-citalopram ChEBI 0 C13H18ClNO InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m0/s1 SNPPWIUOZRMYNY-VIFPVBQESA-N 239.74086 239.10769 C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 Beilstein:8684198 (2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one chebi_ontology CHEBI:36793 (S)-bupropion Beilstein:8684198 Beilstein (2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one IUPAC 0 C13H18ClNO InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m1/s1 SNPPWIUOZRMYNY-SECBINFHSA-N 239.74086 239.10769 C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 Beilstein:8684199 (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one chebi_ontology CHEBI:36794 (R)-bupropion Beilstein:8684199 Beilstein (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one IUPAC A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. 0 C10H16O2 InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12) XLOPRKKSAJMMEW-UHFFFAOYSA-N 168.23284 168.11503 CC(C)=CC1C(C(O)=O)C1(C)C Beilstein:2043418 CAS:10453-89-1 KEGG:C09842 LINCS:LSM-21601 PMID:13083 PMID:16328989 PMID:17226179 PMID:24253739 Patent:CN101830795 Patent:US2010210721 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid Chrysanthemic acid chebi_ontology Chrysanthemumsaeure chrysanthemummonocarboxylic acid CHEBI:3680 chrysanthemic acid Beilstein:2043418 ChemIDplus CAS:10453-89-1 ChemIDplus CAS:10453-89-1 KEGG COMPOUND PMID:13083 Europe PMC PMID:16328989 Europe PMC PMID:17226179 Europe PMC PMID:24253739 Europe PMC 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid IUPAC Chrysanthemic acid KEGG_COMPOUND Chrysanthemumsaeure ChEBI chrysanthemummonocarboxylic acid ChemIDplus A salt formally resulting from the reaction of hydrochloric acid with an organic base. chebi_ontology Hydrochlorid hydrochloride salts hydrochlorides CHEBI:36807 hydrochloride Hydrochlorid ChEBI hydrochloride salts ChEBI hydrochlorides ChEBI A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. 0 C7H5F3 InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H GETTZEONDQJALK-UHFFFAOYSA-N 146.10980 146.03433 FC(F)(F)c1ccccc1 Beilstein:1906908 CAS:98-08-8 Gmelin:3670 PMID:11671431 PMID:20958547 PMID:24267073 PMID:24669762 Reaxys:1906908 (trifluoromethyl)benzene chebi_ontology C6H5CF3 CF3Ph PhCF3 alpha,alpha,alpha-trifluorotoluene benzotrifluoride omega-trifluorotoluene phenylfluoroform trifluoromethylbenzene CHEBI:36810 (trifluoromethyl)benzene Beilstein:1906908 ChemIDplus CAS:98-08-8 ChemIDplus CAS:98-08-8 NIST Chemistry WebBook Gmelin:3670 Gmelin PMID:11671431 Europe PMC PMID:20958547 Europe PMC PMID:24267073 Europe PMC PMID:24669762 Europe PMC Reaxys:1906908 Reaxys (trifluoromethyl)benzene IUPAC C6H5CF3 ChEBI CF3Ph ChEBI PhCF3 ChEBI alpha,alpha,alpha-trifluorotoluene NIST_Chemistry_WebBook benzotrifluoride ChemIDplus omega-trifluorotoluene NIST_Chemistry_WebBook phenylfluoroform NIST_Chemistry_WebBook trifluoromethylbenzene ChemIDplus O-organyl oximes R2C=NOR' (R' =/= H). 0 CNOR3 42.017 41.99799 [*]O\N=C(/[*])[*] oxime O-ether oxime O-ethers chebi_ontology O-substituted oximes oxime O-ethers oxime ether oxime ethers CHEBI:36816 oxime O-ether oxime O-ether IUPAC oxime O-ethers IUPAC O-substituted oximes ChEBI oxime O-ethers ChEBI oxime ether ChEBI oxime ethers ChEBI seco-ergostane Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. ring assemblies ring assembly chebi_ontology CHEBI:36820 ring assembly ring assemblies IUPAC ring assembly IUPAC pseudohalide group chebi_ontology halogenoid group pseudohalido group pseudohalo groups pseudohalogen group CHEBI:36823 pseudohalo group pseudohalide group IUPAC halogenoid group ChEBI pseudohalido group ChEBI pseudohalo groups ChEBI pseudohalogen group IUPAC pseudohalide ions chebi_ontology pseudohalide anions pseudohalides pseudohalogen anion pseudohalogen ion CHEBI:36828 pseudohalide anion pseudohalide ions IUPAC pseudohalide anions ChEBI pseudohalides ChEBI pseudohalogen anion ChEBI pseudohalogen ion ChEBI chebi_ontology polyatomic monoanions CHEBI:36829 polyatomic monoanion polyatomic monoanions ChEBI -1 chebi_ontology monoanions CHEBI:36830 monoanion monoanions ChEBI Any hydroxy steroid carrying a hydroxy group at position 3. chebi_ontology 3-hydroxy steroids CHEBI:36834 3-hydroxy steroid 3-hydroxy steroids ChEBI A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position. 0 C19H31OR 275.450 275.23749 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C CHEBI:71195 KEGG:C02945 MetaCyc:3-Beta-Hydroxysterols PMID:10535978 PMID:12829805 chebi_ontology 3beta-hydroxy steroids a 3beta-hydroxysteroid CHEBI:36836 3beta-hydroxy steroid PMID:10535978 SUBMITTER PMID:12829805 SUBMITTER 3beta-hydroxy steroids ChEBI a 3beta-hydroxysteroid UniProt A hydroxy steroid carrying a hydroxy group at position 17. chebi_ontology 17-hydroxy steroids CHEBI:36838 17-hydroxy steroid 17-hydroxy steroids ChEBI Any hydroxy steroid carrying a hydroxy group at position 16. chebi_ontology 16-hydroxy steroids CHEBI:36840 16-hydroxy steroid 16-hydroxy steroids ChEBI chebi_ontology 11-hydroxy steroids CHEBI:36841 11-hydroxy steroid 11-hydroxy steroids ChEBI chebi_ontology hydroxy seco-steroids CHEBI:36853 hydroxy seco-steroid hydroxy seco-steroids ChEBI 0 CHN InChI=1S/CHN/c1-2/h2H QIUBLANJVAOHHY-UHFFFAOYSA-N 27.02538 27.01090 [C-]#[NH+] Beilstein:2069401 CAS:6914-07-4 Gmelin:113 hydrogen isocyanide nitriliomethanide chebi_ontology CNH HN(+)#C(-) HNC hydroisocyanic acid CHEBI:36856 hydrogen isocyanide Beilstein:2069401 Beilstein CAS:6914-07-4 NIST Chemistry WebBook Gmelin:113 Gmelin hydrogen isocyanide NIST_Chemistry_WebBook nitriliomethanide IUPAC CNH ChEBI HN(+)#C(-) IUPAC HNC NIST_Chemistry_WebBook hydroisocyanic acid ChEBI Any hydroxy steroid carrying a hydroxy group at position 2. chebi_ontology 2-hydroxy steroids CHEBI:36857 2-hydroxy steroid 2-hydroxy steroids ChEBI chebi_ontology 2beta-hydroxy steroids CHEBI:36859 2beta-hydroxy steroid 2beta-hydroxy steroids ChEBI chebi_ontology 14-hydroxy steroids CHEBI:36860 14-hydroxy steroid 14-hydroxy steroids ChEBI chebi_ontology 14alpha-hydroxy steroids CHEBI:36861 14alpha-hydroxy steroid 14alpha-hydroxy steroids ChEBI A 14-hydroxy steroid in which the hydroxy group has a beta-configuration. chebi_ontology 14beta-hydroxy steroids CHEBI:36862 14beta-hydroxy steroid 14beta-hydroxy steroids ChEBI chebi_ontology 22-hydroxy steroids CHEBI:36863 22-hydroxy steroid 22-hydroxy steroids ChEBI chebi_ontology 25-hydroxy steroids CHEBI:36864 25-hydroxy steroid 25-hydroxy steroids ChEBI Compounds that resemble the halogen elements, X2, in their chemistry. pseudohalogen pseudohalogens chebi_ontology pseudohalogens CHEBI:36867 pseudohalogen pseudohalogen IUPAC pseudohalogens IUPAC pseudohalogens ChEBI chebi_ontology inorganic radicals CHEBI:36871 inorganic radical inorganic radicals ChEBI radical anion chebi_ontology anion radical radical anions CHEBI:36873 radical anion radical anion IUPAC anion radical IUPAC radical anions ChEBI A radical that carries an electric charge. radical ion chebi_ontology ion radical radical ions CHEBI:36875 radical ion radical ion IUPAC ion radical IUPAC radical ions IUPAC chebi_ontology inorganic anion radical inorganic radical anions CHEBI:36876 inorganic radical anion inorganic anion radical ChEBI inorganic radical anions ChEBI chebi_ontology inorganic ion radical inorganic radical ions CHEBI:36878 inorganic radical ion inorganic ion radical ChEBI inorganic radical ions ChEBI chebi_ontology 6-oxo steroids CHEBI:36883 6-oxo steroid 6-oxo steroids ChEBI An oxo steroid carrying an oxo group at position 20. chebi_ontology 20-oxo steroids CHEBI:36885 20-oxo steroid 20-oxo steroids ChEBI chebi_ontology 18-oxo steroids CHEBI:36887 18-oxo steroid 18-oxo steroids ChEBI chebi_ontology CHEBI:36892 elemental fluorine chebi_ontology CHEBI:36894 elemental bromine 0 F 18.998 18.99840 chebi_ontology atomic fluorine CHEBI:36895 monoatomic fluorine atomic fluorine ChEBI 0 Br 79.904 78.91834 chebi_ontology atomic bromine CHEBI:36896 monoatomic bromine atomic bromine ChEBI chalcogen hydride chebi_ontology chalcogen hydrides CHEBI:36902 chalcogen hydride chalcogen hydride ChEBI chalcogen hydrides ChEBI selenium hydride chebi_ontology hydrides of selenium selenium hydrides CHEBI:36903 selenium hydride selenium hydride ChEBI hydrides of selenium ChEBI selenium hydrides ChEBI CAS:7782-49-2 elemental selenium chebi_ontology CHEBI:36904 elemental selenium CAS:7782-49-2 NIST Chemistry WebBook elemental selenium NIST_Chemistry_WebBook argon molecular entity radon molecular entity chebi_ontology radon compounds radon molecular entities CHEBI:36911 radon molecular entity radon molecular entity ChEBI radon compounds ChEBI radon molecular entities ChEBI chebi_ontology inorganic ions CHEBI:36914 inorganic ion inorganic ions ChEBI chebi_ontology inorganic cations CHEBI:36915 inorganic cation inorganic cations ChEBI A monoatomic or polyatomic species having one or more elementary charges of the proton. CHEBI:23058 CHEBI:3473 KEGG:C01373 Cation cation chebi_ontology Kation Kationen cationes cations CHEBI:36916 cation Cation KEGG_COMPOUND cation ChEBI cation IUPAC Kation ChEBI Kationen ChEBI cationes ChEBI cations ChEBI chebi_ontology antimony hydrides CHEBI:36918 antimony hydride antimony hydrides ChEBI antimony molecular entity chebi_ontology antimony compounds antimony molecular entities CHEBI:36919 antimony molecular entity antimony molecular entity ChEBI antimony compounds ChEBI antimony molecular entities ChEBI chebi_ontology CHEBI:36922 elemental antimony chebi_ontology aryl phosphates CHEBI:36943 aryl phosphate aryl phosphates ChEBI The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. 0 CH4N2S InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) UMGDCJDMYOKAJW-UHFFFAOYSA-N 76.12194 76.00952 NC(N)=S CHEBI:29331 CHEBI:35015 CHEBI:46065 Beilstein:605327 CAS:62-56-6 Gmelin:1604 KEGG:C14415 PDBeChem:TOU PMID:12102173 PPDB:641 Patent:US2173067 Patent:US2357149 Patent:US2393917 Patent:US2552584 Patent:US2560596 Reaxys:605327 Wikipedia:Thiourea THIOUREA Thiourea thiourea chebi_ontology 2-thiourea H2NC(S)NH2 Thiocarbamid Thioharnstoff Thiokarbamid aminothioamide aminothiocarboxamide carbonothioic diamide thiocarbamide thiocarbonic acid diamide tu CHEBI:36946 thiourea Beilstein:605327 Beilstein CAS:62-56-6 ChemIDplus CAS:62-56-6 KEGG COMPOUND CAS:62-56-6 NIST Chemistry WebBook Gmelin:1604 Gmelin PMID:12102173 Europe PMC Reaxys:605327 Reaxys THIOUREA PDBeChem Thiourea KEGG_COMPOUND thiourea IUPAC 2-thiourea ChemIDplus H2NC(S)NH2 ChEBI Thiocarbamid ChEBI Thioharnstoff ChEBI Thiokarbamid ChEBI aminothioamide ChEBI aminothiocarboxamide ChEBI carbonothioic diamide IUPAC thiocarbamide NIST_Chemistry_WebBook thiocarbonic acid diamide ChemIDplus tu IUPAC 0 CH2O2S InChI=1S/CH2O2S/c2-1(3)4/h(H2,2,3,4) WRWHFVRDUAQRIQ-UHFFFAOYSA-N 78.09138 77.97755 OC(O)=S Beilstein:1847283 Gmelin:100754 carbonothioic O,O-acid dihydroxidosulfidocarbon chebi_ontology HO-CS-OH [C(OH)2S] CHEBI:36958 carbonothioic O,O-acid Beilstein:1847283 Beilstein Gmelin:100754 Gmelin carbonothioic O,O-acid IUPAC dihydroxidosulfidocarbon IUPAC HO-CS-OH IUPAC [C(OH)2S] ChEBI 0 CH2O2S InChI=1S/CH2O2S/c2-1(3)4/h4H,(H,2,3) HDFRDWFLWVCOGP-UHFFFAOYSA-N 78.09138 77.97755 OC(S)=O carbonothioic O,S-acid carbonothioic S-acid hydroxidooxidosulfanidocarbon chebi_ontology HO-CO-SH [CO(OH)(SH)] CHEBI:36959 carbonothioic O,S-acid carbonothioic O,S-acid IUPAC carbonothioic S-acid IUPAC hydroxidooxidosulfanidocarbon IUPAC HO-CO-SH IUPAC [CO(OH)(SH)] ChEBI 0 CH2O2S 78.092 77.97755 carbonothioic acid chebi_ontology H2CO2S thiocarbonic acid CHEBI:36960 carbonothioic acid carbonothioic acid IUPAC H2CO2S IUPAC thiocarbonic acid IUPAC chalcocarbonic acid chalcocarbonic acids chebi_ontology chalcocarbonic acids CHEBI:36961 chalcocarbonic acid chalcocarbonic acid ChEBI chalcocarbonic acids IUPAC chalcocarbonic acids ChEBI An organochalcogen compound is a compound containing at least one carbon-chalcogen bond. organochalcogen compound chebi_ontology organochalcogen compounds CHEBI:36962 organochalcogen compound organochalcogen compound ChEBI organochalcogen compounds ChEBI An organochalcogen compound containing at least one carbon-oxygen bond. PMID:17586126 organooxygen compound chebi_ontology organooxygen compounds CHEBI:36963 organooxygen compound PMID:17586126 Europe PMC PMID:17586126 Europe PMC organooxygen compound ChEBI organooxygen compounds ChEBI The thioether resulting from the formal oxidative coupling of the thiol group of L-cysteine with the 7-position of (2Z)-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin is therefore administered (as the sodium salt) with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to inactive and potentially nephrotoxic products. Cilastatin also acts as a leukotriene D4 dipeptidase inhibitor, preventing the metabolism of leukotriene D4 to leukotriene E4. 0 C16H26N2O5S InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1 DHSUYTOATWAVLW-WFVMDLQDSA-N 358.45300 358.15624 CC1(C)C[C@@H]1C(=O)N\C(C(O)=O)=C/CCCCSC[C@H](N)C(O)=O CHEBI:109454 CHEBI:143261 CHEBI:41538 Beilstein:6895069 CAS:82009-34-5 DrugBank:DB01597 Drug_Central:640 KEGG:C01675 KEGG:D07698 PDBeChem:CIL PMID:3495664 Patent:EP48025 Patent:EP48301 Patent:EP72014 Reaxys:6895069 Wikipedia:Cilastatin (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid chebi_ontology (L)-7-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid (Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine (Z)-7-((R)-2-Amino-2-carboxy-ethylsulfanyl)-2-[((S)-2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid cilastatin cilastatina cilastatine cilastatinum CHEBI:3697 cilastatin Beilstein:6895069 Beilstein CAS:82009-34-5 ChemIDplus CAS:82009-34-5 KEGG COMPOUND Drug_Central:640 DrugCentral PMID:3495664 ChEMBL Reaxys:6895069 Reaxys (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid IUPAC (L)-7-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid ChEMBL (Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine ChEBI (Z)-7-((R)-2-Amino-2-carboxy-ethylsulfanyl)-2-[((S)-2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid ChEMBL cilastatin ChemIDplus cilastatina ChemIDplus cilastatine ChemIDplus cilastatinum ChemIDplus A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid. CHEBI:13215 CHEBI:13663 CHEBI:7656 KEGG:C00215 Wikipedia:Nucleotide Nucleotide chebi_ontology nucleotides CHEBI:36976 nucleotide Nucleotide KEGG_COMPOUND nucleotides ChEBI chebi_ontology cyclic purine nucleotides CHEBI:36982 cyclic purine nucleotide cyclic purine nucleotides ChEBI chebi_ontology 3'-deoxyribonucleosides CHEBI:36987 3'-deoxyribonucleoside 3'-deoxyribonucleosides ChEBI CHEBI:1976 CHEBI:1977 CHEBI:20500 CHEBI:36996 chebi_ontology ribonucleoside 5'-monophosphates CHEBI:37010 ribonucleoside 5'-monophosphate ribonucleoside 5'-monophosphates ChEBI chebi_ontology ribonucleoside 5'-phosphates CHEBI:37015 ribonucleoside 5'-phosphate ribonucleoside 5'-phosphates ChEBI chebi_ontology purine ribonucleoside 5'-monophosphates CHEBI:37021 purine ribonucleoside 5'-monophosphate purine ribonucleoside 5'-monophosphates ChEBI amino-acid anion chebi_ontology amino acid anions amino-acid anions CHEBI:37022 amino-acid anion amino-acid anion ChEBI amino acid anions ChEBI amino-acid anions ChEBI chebi_ontology purine ribonucleoside 5'-triphosphates CHEBI:37045 purine ribonucleoside 5'-triphosphate purine ribonucleoside 5'-triphosphates ChEBI A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. 0 C5H10O2 InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) WLAMNBDJUVNPJU-UHFFFAOYSA-N 102.13170 102.06808 CCC(C)C(O)=O Beilstein:1098537 CAS:116-53-0 DrugBank:DB03741 HMDB:HMDB0002176 KEGG:C18319 LIPID_MAPS_instance:LMFA01020072 PMID:15615815 PMID:16751541 PMID:18828792 PMID:22202876 PMID:3372640 Reaxys:1098537 2-Methylbutyric acid 2-methylbutanoic acid 2-methylbutyric acid chebi_ontology 2-methybutyric acid alpha-methyl butyric acid alpha-methylbutyric acid butane-2-carboxylic acid ethylmethylacetic acid methylethylacetic acid CHEBI:37070 2-methylbutyric acid Beilstein:1098537 Beilstein CAS:116-53-0 ChemIDplus CAS:116-53-0 KEGG COMPOUND CAS:116-53-0 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA01020072 LIPID MAPS PMID:15615815 Europe PMC PMID:16751541 Europe PMC PMID:18828792 Europe PMC PMID:22202876 Europe PMC PMID:3372640 Europe PMC Reaxys:1098537 Reaxys 2-Methylbutyric acid KEGG_COMPOUND 2-methylbutanoic acid IUPAC 2-methylbutyric acid NIST_Chemistry_WebBook 2-methybutyric acid ChemIDplus alpha-methyl butyric acid LIPID_MAPS alpha-methylbutyric acid NIST_Chemistry_WebBook butane-2-carboxylic acid ChEBI ethylmethylacetic acid ChemIDplus methylethylacetic acid ChemIDplus chebi_ontology ribonucleoside 5'-triphosphates CHEBI:37076 ribonucleoside 5'-triphosphate ribonucleoside 5'-triphosphates ChEBI -1 C3H3O2 InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1 NIXOWILDQLNWCW-UHFFFAOYSA-M 71.05472 71.01385 [O-]C(=O)C=C CHEBI:13721 CHEBI:35937 Beilstein:3535778 Beilstein:3931336 CAS:10344-93-1 Gmelin:323518 KEGG:C00511 UM-BBD_compID:c0113 acrylate prop-2-enoate chebi_ontology 2-propenoate 2-propenoic acid, ion(1-) Propenoate CHEBI:37080 acrylate Beilstein:3535778 Beilstein Beilstein:3931336 Beilstein CAS:10344-93-1 ChemIDplus Gmelin:323518 Gmelin UM-BBD_compID:c0113 UM-BBD acrylate UniProt prop-2-enoate IUPAC 2-propenoate ChemIDplus 2-propenoic acid, ion(1-) ChemIDplus Propenoate KEGG_COMPOUND chebi_ontology ortho-fused tricyclic hydrocarbons CHEBI:37089 ortho-fused tricyclic hydrocarbon ortho-fused tricyclic hydrocarbons ChEBI chebi_ontology adenosine 5'-phosphates CHEBI:37096 adenosine 5'-phosphate adenosine 5'-phosphates ChEBI thallium molecular entity chebi_ontology thallium compounds thallium molecular entities CHEBI:37110 thallium molecular entity thallium molecular entity ChEBI thallium compounds ChEBI thallium molecular entities ChEBI indium molecular entity chebi_ontology indium compounds indium molecular entities CHEBI:37112 indium molecular entity indium molecular entity ChEBI indium compounds ChEBI indium molecular entities ChEBI chebi_ontology CHEBI:37113 elemental thallium chebi_ontology CHEBI:37114 elemental indium chebi_ontology guanosine 5'-phosphates CHEBI:37121 guanosine 5'-phosphate guanosine 5'-phosphates ChEBI caesium molecular entity chebi_ontology caesium compounds caesium molecular entities cesium compounds CHEBI:37128 caesium molecular entity caesium molecular entity ChEBI caesium compounds ChEBI caesium molecular entities ChEBI cesium compounds ChEBI strontium molecular entity chebi_ontology strontium compounds strontium molecular entities CHEBI:37131 strontium molecular entity strontium molecular entity ChEBI strontium compounds ChEBI strontium molecular entities ChEBI barium molecular entity chebi_ontology barium compounds barium molecular entities CHEBI:37133 barium molecular entity barium molecular entity ChEBI barium compounds ChEBI barium molecular entities ChEBI elemental barium A compound containing at least one carbon-bromine bond. 0 BrR 79.904 78.91834 *Br MetaCyc:Bromide Wikipedia:Organobromine_compound organobromine compound chebi_ontology an organobromine molecule bromoorganic compound organobromide organobromide compound organobromide compounds organobromides organobromine compounds CHEBI:37141 organobromine compound organobromine compound ChEBI an organobromine molecule UniProt bromoorganic compound ChEBI organobromide ChEBI organobromide compound ChEBI organobromide compounds ChEBI organobromides ChEBI organobromine compounds ChEBI An organoiodine compound is a compound containing at least one carbon-iodine bond. 0 IR 126.904 126.90447 *I MetaCyc:Organoiodine-Compounds Wikipedia:Organoiodine_compound organoiodine compound chebi_ontology organoiodine compounds CHEBI:37142 organoiodine compound organoiodine compound ChEBI organoiodine compounds ChEBI An organofluorine compound is a compound containing at least one carbon-fluorine bond. 0 FR 18.998 18.99840 *F MetaCyc:Fluorides organofluorine compound chebi_ontology fluoroorganic compound fluoroorganic compounds fluoroorganics fluororganische Verbindungen organofluorine compounds CHEBI:37143 organofluorine compound organofluorine compound ChEBI fluoroorganic compound ChEBI fluoroorganic compounds ChEBI fluoroorganics ChEBI fluororganische Verbindungen ChEBI organofluorine compounds ChEBI An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine. 0 C3H5ClO InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2 BRLQWZUYTZBJKN-UHFFFAOYSA-N 92.52390 92.00289 ClCC1CO1 CHEBI:18720 CHEBI:34737 Beilstein:79785 CAS:106-89-8 CAS:13403-37-7 Gmelin:164180 HMDB:HMDB0034232 KEGG:C14449 PMID:17441735 PMID:20547378 PMID:8586023 PPDB:1733 Patent:US2011054197 Reaxys:79785 UM-BBD_compID:c0077 Wikipedia:Epichlorohydrin 2-(chloromethyl)oxirane Epichlorohydrin chebi_ontology (RS)-3-chloro-1,2-epoxypropane (chloromethyl)ethylene oxide 1-Chloro-2,3-epoxypropane 2,3-epoxypropyl chloride 3-chloro-1,2-epoxypropane alpha-epichlorohydrin chloromethyloxirane gamma-chloropropylene oxide CHEBI:37144 epichlorohydrin Beilstein:79785 Beilstein CAS:106-89-8 ChemIDplus CAS:106-89-8 KEGG COMPOUND CAS:106-89-8 NIST Chemistry WebBook CAS:13403-37-7 ChemIDplus CAS:13403-37-7 NIST Chemistry WebBook Gmelin:164180 Gmelin PMID:17441735 Europe PMC PMID:20547378 Europe PMC PMID:8586023 Europe PMC Reaxys:79785 Reaxys UM-BBD_compID:c0077 UM-BBD 2-(chloromethyl)oxirane IUPAC Epichlorohydrin KEGG_COMPOUND (RS)-3-chloro-1,2-epoxypropane UM-BBD (chloromethyl)ethylene oxide ChemIDplus 1-Chloro-2,3-epoxypropane KEGG_COMPOUND 2,3-epoxypropyl chloride NIST_Chemistry_WebBook 3-chloro-1,2-epoxypropane ChemIDplus alpha-epichlorohydrin NIST_Chemistry_WebBook chloromethyloxirane ChemIDplus gamma-chloropropylene oxide UM-BBD Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions. 0 C6H4Br2 235.903 233.86797 dibromobenzene chebi_ontology dibromobenzenes CHEBI:37147 dibromobenzene dibromobenzene IUPAC dibromobenzenes ChEBI A compound derived from an arene by replacing a hydrogen atom with a bromine atom. chebi_ontology aryl bromide aryl bromides bromoarenes CHEBI:37148 bromoarene aryl bromide ChEBI aryl bromides ChEBI bromoarenes ChEBI A member of the class of benzenes that is benzene substituted by at least one bromo group. chebi_ontology CHEBI:37149 bromobenzenes A dibromobenzene carrying bromo groups at positions 1 and 3. 0 C6H4Br2 InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H JSRLURSZEMLAFO-UHFFFAOYSA-N 235.90396 233.86798 Brc1cccc(Br)c1 Beilstein:1904538 CAS:108-36-1 Gmelin:363342 PMID:15267540 PMID:17935095 PMID:18624286 Reaxys:1904538 1,3-dibromobenzene chebi_ontology m-dibromobenzene CHEBI:37151 1,3-dibromobenzene Beilstein:1904538 Beilstein CAS:108-36-1 ChemIDplus CAS:108-36-1 NIST Chemistry WebBook Gmelin:363342 Gmelin PMID:15267540 Europe PMC PMID:17935095 Europe PMC PMID:18624286 Europe PMC Reaxys:1904538 Reaxys 1,3-dibromobenzene IUPAC m-dibromobenzene NIST_Chemistry_WebBook Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16). CHEBI:62670 Wikipedia:Phosphoprotein_phosphatase Wikipedia:Protein_serine/threonine_phosphatase chebi_ontology 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors Aspergillus awamori acid protein phosphatase inhibitor Aspergillus awamori acid protein phosphatase inhibitors BCKDH phosphatase inhibitor BCKDH phosphatase inhibitors EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors EC 3.1.3.16 inhibitor EC 3.1.3.16 inhibitors HMG-CoA reductase phosphatase inhibitor HMG-CoA reductase phosphatase inhibitors branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors calcineurin inhibitor calcineurin inhibitors casein phosphatase inhibitor casein phosphatase inhibitors phosphatase 2A inhibitor phosphatase 2A inhibitors phosphatase 2B inhibitor phosphatase 2B inhibitors phosphatase C-II inhibitor phosphatase C-II inhibitors phosphatase H-II inhibitor phosphatase H-II inhibitors phosphatase I inhibitor phosphatase I inhibitors phosphatase IB inhibitor phosphatase IB inhibitors phosphatase II inhibitor phosphatase II inhibitors phosphatase III inhibitor phosphatase III inhibitors phosphatase IV inhibitor phosphatase IV inhibitors phosphatase SP inhibitor phosphatase SP inhibitors phosphoprotein phosphatase (EC 3.1.3.16) inhibitor phosphoprotein phosphatase (EC 3.1.3.16) inhibitors phosphoprotein phosphatase inhibitor phosphoprotein phosphatase inhibitors phosphoprotein phosphohydrolase inhibitor phosphoprotein phosphohydrolase inhibitors phosphopyruvate dehydrogenase phosphatase inhibitor phosphopyruvate dehydrogenase phosphatase inhibitors phosphospectrin phosphatase inhibitor phosphospectrin phosphatase inhibitors polycation modulated (PCM-) phosphatase inhibitor polycation modulated (PCM-) phosphatase inhibitors protein D phosphatase inhibitor protein D phosphatase inhibitors protein phosphatase inhibitor protein phosphatase inhibitors protein phosphatase-1 inhibitor protein phosphatase-1 inhibitors protein phosphatase-2A inhibitor protein phosphatase-2A inhibitors protein phosphatase-2B inhibitor protein phosphatase-2B inhibitors protein phosphatase-2C inhibitor protein phosphatase-2C inhibitors protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors protein serine/threonine phosphatase inhibitor protein serine/threonine phosphatase inhibitors serine/threonine specific protein phosphatase inhibitor serine/threonine specific protein phosphatase inhibitors CHEBI:37153 EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor ChEBI 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors ChEBI Aspergillus awamori acid protein phosphatase inhibitor ChEBI Aspergillus awamori acid protein phosphatase inhibitors ChEBI BCKDH phosphatase inhibitor ChEBI BCKDH phosphatase inhibitors ChEBI EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors ChEBI EC 3.1.3.16 inhibitor ChEBI EC 3.1.3.16 inhibitors ChEBI HMG-CoA reductase phosphatase inhibitor ChEBI HMG-CoA reductase phosphatase inhibitors ChEBI branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor ChEBI branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors ChEBI calcineurin inhibitor ChEBI calcineurin inhibitors ChEBI casein phosphatase inhibitor ChEBI casein phosphatase inhibitors ChEBI phosphatase 2A inhibitor ChEBI phosphatase 2A inhibitors ChEBI phosphatase 2B inhibitor ChEBI phosphatase 2B inhibitors ChEBI phosphatase C-II inhibitor ChEBI phosphatase C-II inhibitors ChEBI phosphatase H-II inhibitor ChEBI phosphatase H-II inhibitors ChEBI phosphatase I inhibitor ChEBI phosphatase I inhibitors ChEBI phosphatase IB inhibitor ChEBI phosphatase IB inhibitors ChEBI phosphatase II inhibitor ChEBI phosphatase II inhibitors ChEBI phosphatase III inhibitor ChEBI phosphatase III inhibitors ChEBI phosphatase IV inhibitor ChEBI phosphatase IV inhibitors ChEBI phosphatase SP inhibitor ChEBI phosphatase SP inhibitors ChEBI phosphoprotein phosphatase (EC 3.1.3.16) inhibitor ChEBI phosphoprotein phosphatase (EC 3.1.3.16) inhibitors ChEBI phosphoprotein phosphatase inhibitor ChEBI phosphoprotein phosphatase inhibitors ChEBI phosphoprotein phosphohydrolase inhibitor ChEBI phosphoprotein phosphohydrolase inhibitors ChEBI phosphopyruvate dehydrogenase phosphatase inhibitor ChEBI phosphopyruvate dehydrogenase phosphatase inhibitors ChEBI phosphospectrin phosphatase inhibitor ChEBI phosphospectrin phosphatase inhibitors ChEBI polycation modulated (PCM-) phosphatase inhibitor ChEBI polycation modulated (PCM-) phosphatase inhibitors ChEBI protein D phosphatase inhibitor ChEBI protein D phosphatase inhibitors ChEBI protein phosphatase inhibitor ChEBI protein phosphatase inhibitors ChEBI protein phosphatase-1 inhibitor ChEBI protein phosphatase-1 inhibitors ChEBI protein phosphatase-2A inhibitor ChEBI protein phosphatase-2A inhibitors ChEBI protein phosphatase-2B inhibitor ChEBI protein phosphatase-2B inhibitors ChEBI protein phosphatase-2C inhibitor ChEBI protein phosphatase-2C inhibitors ChEBI protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors ChEBI protein serine/threonine phosphatase inhibitor ChEBI protein serine/threonine phosphatase inhibitors ChEBI serine/threonine specific protein phosphatase inhibitor ChEBI serine/threonine specific protein phosphatase inhibitors ChEBI -1 C4H3O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1 VZCYOOQTPOCHFL-UHFFFAOYSA-M 115.06422 115.00368 [H]C(=C([H])C([O-])=O)C(O)=O Beilstein:5244783 Gmelin:1342303 3-carboxyprop-2-enoate chebi_ontology 3-carboxyacrylate CHEBI:37155 hydrogen butenedioate Beilstein:5244783 Beilstein Gmelin:1342303 Gmelin 3-carboxyprop-2-enoate IUPAC 3-carboxyacrylate IUPAC A hydrogen butenedioate that is the conjugate base of maleic acid. -1 C4H3O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1- VZCYOOQTPOCHFL-UPHRSURJSA-M 115.06422 115.00368 OC(=O)\C=C/C([O-])=O Beilstein:3537457 Gmelin:325289 Reaxys:3537457 (2Z)-3-carboxyprop-2-enoate chebi_ontology (2Z)-3-carboxyacrylate Hmale hydrogen maleate CHEBI:37156 maleate(1-) Beilstein:3537457 Beilstein Gmelin:325289 Gmelin Reaxys:3537457 Reaxys (2Z)-3-carboxyprop-2-enoate IUPAC (2Z)-3-carboxyacrylate IUPAC Hmale IUPAC hydrogen maleate ChEBI A polysaccharide composed of glucose residues. C12H22O11(C6H10O5)n CHEBI:24255 CHEBI:5392 CAS:9037-91-6 KEGG:C01379 Glucan glucan chebi_ontology glucans CHEBI:37163 glucan Glycans composed of a single type of monosaccharide residue. They are named by replacing the ending '-ose' of the sugar by '-an'. homopolysaccharide Saturated silicon hydrides, analogues of the alkanes; i.e. compounds of the general formula SinH2n+2. silanes chebi_ontology CHEBI:37172 silanes silanes IUPAC chebi_ontology organic hydrides CHEBI:37175 organic hydride organic hydrides ChEBI mononuclear parent hydrides chebi_ontology mononuclear hydride mononuclear hydrides CHEBI:37176 mononuclear parent hydride mononuclear parent hydrides IUPAC mononuclear hydride ChEBI mononuclear hydrides IUPAC chebi_ontology hydrides of lead lead hydrides CHEBI:37184 lead hydride hydrides of lead ChEBI lead hydrides ChEBI lead coordination entity chebi_ontology lead coordination compounds lead coordination entities CHEBI:37185 lead coordination entity lead coordination entity ChEBI lead coordination compounds ChEBI lead coordination entities ChEBI silicon coordination entity chebi_ontology silicon coordination compounds silicon coordination entities CHEBI:37190 silicon coordination entity silicon coordination entity ChEBI silicon coordination compounds ChEBI silicon coordination entities ChEBI chebi_ontology CHEBI:37191 silicon oxoanion chebi_ontology CHEBI:37193 elemental lead bismuth molecular entity chebi_ontology bismuth compounds bismuth molecular entities CHEBI:37196 bismuth molecular entity bismuth molecular entity ChEBI bismuth compounds ChEBI bismuth molecular entities ChEBI A polyol with five hydroxy groups. pentol chebi_ontology pentols CHEBI:37205 pentol pentol IUPAC pentols ChEBI A polyol that contains 6 hydroxy groups. hexol chebi_ontology hexols CHEBI:37206 hexol hexol IUPAC hexols ChEBI titanium molecular entity chebi_ontology titanium compounds titanium molecular entities CHEBI:37217 titanium molecular entity titanium molecular entity ChEBI titanium compounds ChEBI titanium molecular entities ChEBI A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. 0 C20H21FN2O 324.393 324.16379 Beilstein:1397373 CAS:59729-33-8 DrugBank:DB00215 HMDB:HMDB0005038 KEGG:C07572 KEGG:D07704 PMID:11336616 PMID:18213744 PMID:18219053 PMID:19747949 PMID:20825390 Patent:DE2657013 Patent:EP0171943 Patent:EP1506963 Patent:US4136193 Reaxys:1397373 Wikipedia:Citalopram Citalopram rac-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile chebi_ontology 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile 1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile Cipram Citadur Lu 10-171 Nitalapram citalopram citalopramum CHEBI:3723 citalopram Beilstein:1397373 Beilstein CAS:59729-33-8 ChemIDplus CAS:59729-33-8 KEGG COMPOUND CAS:59729-33-8 NIST Chemistry WebBook PMID:11336616 Europe PMC PMID:18213744 Europe PMC PMID:18219053 Europe PMC PMID:19747949 Europe PMC PMID:20825390 Europe PMC Reaxys:1397373 Reaxys Citalopram KEGG_COMPOUND rac-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile IUPAC 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile ChemIDplus 1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile ChemIDplus Cipram ChemIDplus Citadur KEGG_DRUG Lu 10-171 ChemIDplus Nitalapram ChemIDplus citalopram ChemIDplus citalopram WHO_MedNet citalopramum ChemIDplus chebi_ontology CHEBI:37246 elemental sodium chebi_ontology CHEBI:37247 elemental potassium chebi_ontology CHEBI:37253 elemental zinc chebi_ontology 1-ribosylimidazoles CHEBI:37293 1-ribosylimidazole 1-ribosylimidazoles ChEBI An actinoid molecular entity containing at least one atome of thorium. thorium molecular entity chebi_ontology thorium compounds CHEBI:37302 thorium molecular entity thorium molecular entity ChEBI thorium compounds ChEBI The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. 0 C38H69NO13 InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N 747.95340 747.47689 [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC CHEBI:41676 CHEBI:442148 CHEBI:670147 Beilstein:3581974 CAS:81103-11-9 DrugBank:DB01211 Drug_Central:668 KEGG:C06912 KEGG:D00276 LINCS:LSM-5606 LIPID_MAPS_instance:LMPK04000014 PDBeChem:CTY PMID:16387493 Patent:EP41355 Patent:US4331803 Reaxys:3581974 CLARITHROMYCIN Clarithromycin O(6)-methylerythromycin chebi_ontology 6-O-methylerythromycin 6-O-methylerythromycin A CLA clarithromycin clarithromycina clarithromycine clarithromycinum CHEBI:3732 clarithromycin Beilstein:3581974 Beilstein CAS:81103-11-9 ChemIDplus CAS:81103-11-9 KEGG COMPOUND Drug_Central:668 DrugCentral LIPID_MAPS_instance:LMPK04000014 LIPID MAPS PMID:16387493 ChEMBL Reaxys:3581974 Reaxys CLARITHROMYCIN PDBeChem Clarithromycin KEGG_COMPOUND O(6)-methylerythromycin IUPAC 6-O-methylerythromycin ChemIDplus 6-O-methylerythromycin A ChemIDplus CLA DrugBank clarithromycin ChemIDplus clarithromycina ChemIDplus clarithromycine ChemIDplus clarithromycinum ChemIDplus A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8. 0 C12H10N4O2 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N 242.23356 242.08038 Cc1cc2nc3c(nc(=O)[nH]c3=O)[nH]c2cc1C Beilstein:539579 PMID:16128574 Reaxys:539579 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione chebi_ontology dimethylisoalloxazine CHEBI:37323 7,8-dimethylisoalloxazine Beilstein:539579 Beilstein PMID:16128574 Europe PMC Reaxys:539579 Reaxys 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione IUPAC dimethylisoalloxazine IUPAC 0 C12H10N4O2 242.234 242.08038 7,8-dimethylbenzo[g]pteridine-2,4-dione chebi_ontology CHEBI:37324 7,8-dimethylbenzo[g]pteridine-2,4-dione 7,8-dimethylbenzo[g]pteridine-2,4-dione IUPAC 0 C10H6N4O2 InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16) HAUGRYOERYOXHX-UHFFFAOYSA-N 214.18040 214.04908 O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 Beilstein:85819 CAS:490-59-5 LINCS:LSM-2889 alloxazine benzo[g]pteridine-2,4(1H,3H)-dione chebi_ontology Alloxazin CHEBI:37325 alloxazine Beilstein:85819 Beilstein CAS:490-59-5 NIST Chemistry WebBook alloxazine NIST_Chemistry_WebBook benzo[g]pteridine-2,4(1H,3H)-dione IUPAC Alloxazin NIST_Chemistry_WebBook 0 C10H6N4O2 214.181 214.04908 benzo[g]pteridine-2,4-dione chebi_ontology CHEBI:37326 benzo[g]pteridine-2,4-dione benzo[g]pteridine-2,4-dione IUPAC 0 C10H6N4O2 InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16) HAUGRYOERYOXHX-UHFFFAOYSA-N 214.18040 214.04908 O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1 Beilstein:991206 benzo[g]pteridine-2,4(3H,10H)-dione chebi_ontology CHEBI:37327 isoalloxazine Beilstein:991206 Beilstein benzo[g]pteridine-2,4(3H,10H)-dione IUPAC CHEBI:27154 CHEBI:27155 chebi_ontology tropane alkaloids CHEBI:37332 tropane alkaloid tropane alkaloids ChEBI A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease. chebi_ontology CHEBI:37334 diagnostic imaging agent chebi_ontology CHEBI:37335 MRI contrast agent A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays. Wikipedia:Contrast_medium chebi_ontology contrast media radiocontrast agent radiocontrast agents radioopaque media radiopaque media radiopaque medium CHEBI:37338 radioopaque medium contrast media ChEBI radiocontrast agent ChEBI radiocontrast agents ChEBI radioopaque media ChEBI radiopaque media ChEBI radiopaque medium ChEBI 0 O2Th InChI=1S/2O.Th ZCUFMDLYAMJYST-UHFFFAOYSA-N 264.03690 264.02789 O=[Th]=O CAS:1314-20-1 Gmelin:141638 thorium dioxide thorium(IV) oxide chebi_ontology ThO2 thoria CHEBI:37339 thorium dioxide CAS:1314-20-1 ChemIDplus CAS:1314-20-1 NIST Chemistry WebBook Gmelin:141638 Gmelin thorium dioxide IUPAC thorium(IV) oxide IUPAC ThO2 IUPAC thoria ChemIDplus phosphorus halide chebi_ontology phosphorus halides CHEBI:37378 phosphorus halide phosphorus halide ChEBI phosphorus halides ChEBI chebi_ontology CHEBI:37380 pnictogen halide chebi_ontology CHEBI:37381 nitrogen halide Any of the group of polysaccharides composed of alternating units from uronic acids and glycosamines, and commonly partially esterified with sulfuric acid. CHEBI:25425 CHEBI:7011 KEGG:C05114 Mucopolysaccharide mucopolysaccharides chebi_ontology Mucopolysaccharid Mukopolysaccharid mucopolisacarido mucopolisacaridos CHEBI:37395 mucopolysaccharide Mucopolysaccharide KEGG_COMPOUND mucopolysaccharides IUPAC Mucopolysaccharid ChEBI Mukopolysaccharid ChEBI mucopolisacarido ChEBI mucopolisacaridos IUPAC copper coordination entity chebi_ontology CHEBI:37404 elemental copper Any ether in which the oxygen atom forms part of a ring. CHEBI:37406 cyclic ether cyclic ethers epoxy compounds chebi_ontology cyclic ethers epoxy compounds CHEBI:37407 cyclic ether cyclic ether IUPAC cyclic ethers IUPAC epoxy compounds IUPAC cyclic ethers ChEBI epoxy compounds ChEBI A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units. CHEBI:24074 CHEBI:24076 folates chebi_ontology folate folates CHEBI:37445 folic acids folates IUPAC folate ChEBI folates ChEBI A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic. 0 C18H33ClN2O5S InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1 KDLRVYVGXIQJDK-NOWPCOIGSA-N 424.98380 424.17987 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O CHEBI:47331 CAS:18323-44-9 DrugBank:DB01190 HMDB:HMDB0015321 KEGG:C06914 KEGG:C13684 KEGG:D00277 KEGG:D02132 PMID:11691576 PMID:18695329 PMID:24310902 Reaxys:5624049 Wikipedia:Clindamycin Clindamycin methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside chebi_ontology 7(S)-Chloro-7-deoxylincomycin 7-CDL Cleocin (TN) Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside CHEBI:3745 clindamycin CAS:18323-44-9 ChemIDplus CAS:18323-44-9 KEGG COMPOUND PMID:11691576 Europe PMC PMID:18695329 Europe PMC PMID:24310902 Europe PMC Reaxys:5624049 Reaxys Clindamycin KEGG_COMPOUND methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside IUPAC 7(S)-Chloro-7-deoxylincomycin ChemIDplus 7-CDL ChemIDplus Cleocin (TN) KEGG_DRUG Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside ChemIDplus chebi_ontology alkenyl phosphates CHEBI:37494 alkenyl phosphate alkenyl phosphates ChEBI A oxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4. 0 C12H14ClNO2 InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3 KIEDNEWSYUYDSN-UHFFFAOYSA-N 239.698 239.07131 C1ON(CC=2C=CC=CC2Cl)C(C1(C)C)=O CAS:81777-89-1 KEGG:C11095 PMID:21191867 PMID:23538322 PMID:24515809 PMID:24562457 PMID:24792474 PMID:25380132 PMID:25779373 PMID:26370279 PMID:27332840 PMID:28458150 PMID:28719874 PPDB:168 Pesticides:clomazone Reaxys:7480026 Wikipedia:Clomazone 2-(2-chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one chebi_ontology Dimethazone FMC57020 CHEBI:3751 clomazone CAS:81777-89-1 KEGG COMPOUND CAS:81777-89-1 NIST Chemistry WebBook PMID:21191867 Europe PMC PMID:23538322 Europe PMC PMID:24515809 Europe PMC PMID:24562457 Europe PMC PMID:24792474 Europe PMC PMID:25380132 Europe PMC PMID:25779373 Europe PMC PMID:26370279 Europe PMC PMID:27332840 Europe PMC PMID:28458150 Europe PMC PMID:28719874 Europe PMC Pesticides:clomazone Alan Wood's Pesticides Reaxys:7480026 Reaxys 2-(2-chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one IUPAC Dimethazone NIST_Chemistry_WebBook FMC57020 KEGG_COMPOUND chebi_ontology CHEBI:37511 thiophosphate chebi_ontology organic thiophosphates CHEBI:37512 organic thiophosphate organic thiophosphates ChEBI 0 C20H34 InChI=1S/C20H34/c1-11-6-14-7-12(2)9-16-18(15(14)8-11)13(3)10-17-19(16)20(17,4)5/h11-19H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1 CGVXVPQJMYMMIH-HKDZDBKOSA-N 274.485 274.26605 C1[C@@]2([C@@]([C@]3([C@@](C[C@H](C3)C)(C[C@@H]1C)[H])[H])([C@H](C)C[C@@]4([C@]2(C4(C)C)[H])[H])[H])[H] CAS:67707-87-3 (1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene tigliane chebi_ontology Tiglian CHEBI:37526 tigliane CAS:67707-87-3 ChemIDplus (1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene IUPAC tigliane ChEBI Tiglian ChEBI An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid). CHEBI:13800 CHEBI:13801 CHEBI:22209 CHEBI:2426 KEGG:C00174 Acid acid chebi_ontology Saeure Saeuren acide acido acids CHEBI:37527 acid Acid KEGG_COMPOUND acid IUPAC Saeure ChEBI Saeuren ChEBI acide IUPAC acido ChEBI acids ChEBI chebi_ontology cyclohexenecarboxylate esters CHEBI:37529 cyclohexenecarboxylate ester cyclohexenecarboxylate esters ChEBI Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. PMID:17661218 PMID:19944127 PMID:27007372 phorbol ester chebi_ontology CHEBI:37532 phorbol ester PMID:17661218 Europe PMC PMID:19944127 Europe PMC PMID:27007372 Europe PMC phorbol ester ChEBI Derivatives of diazene with the general structure R-N=N-R'. azo compounds chebi_ontology azo compounds CHEBI:37533 azo compound azo compounds IUPAC azo compounds ChEBI A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. 0 C36H56O8 InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1 PHEDXBVPIONUQT-RGYGYFBISA-N 616.826 616.39752 C=1[C@]2([C@]3([C@@]([C@H](OC(=O)CCCCCCCCCCCCC)[C@H]([C@@]2([C@]4([C@@](C(=O)C(=C4)C)(CC1CO)O)[H])O)C)(C3(C)C)OC(=O)C)[H])[H] CHEBI:745 CHEBI:746 Beilstein:2407201 CAS:16561-29-8 Chemspider:25977 KEGG:C05151 KEGG:C09199 KNApSAcK:C00003491 LINCS:LSM-25630 LIPID_MAPS_instance:LMPR0104330002 MetaCyc:CPD-19636 PMCID:PMC6898309 PMID:12421969 PMID:15721302 PMID:15822940 PMID:16740769 PMID:18541361 PMID:20333698 PMID:22696070 PMID:25649981 PMID:25918710 PMID:26826276 PMID:26894087 PMID:27315825 PMID:27676154 PMID:2866623 PMID:29291631 PMID:29385060 PMID:29538403 PMID:29872754 PMID:29933732 PMID:30075941 PMID:30248704 PMID:30254419 PMID:30663866 PMID:31019367 PMID:31194000 PMID:31256364 PMID:31437790 PMID:31904021 PMID:32140039 PMID:33254440 PMID:33268675 PMID:33291656 PMID:34234780 PMID:3593207 Wikipedia:12-O-Tetradecanoylphorbol-13-acetate (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate chebi_ontology 12-O-tetradecanoylphorbol 13-acetate 12-tetradecanoylphorbol 13-acetate PMA TPA phorbol 12-myristate 13-acetate phorbol 12-tetradecanoate 13-acetate phorbol-12-myristate-13-acetate tetradecanoylphorbol acetate CHEBI:37537 phorbol 13-acetate 12-myristate Beilstein:2407201 ChemIDplus CAS:16561-29-8 ChemIDplus CAS:16561-29-8 KEGG COMPOUND LIPID_MAPS_instance:LMPR0104330002 LIPID MAPS PMCID:PMC6898309 Europe PMC PMID:12421969 Europe PMC PMID:15721302 Europe PMC PMID:15822940 Europe PMC PMID:16740769 Europe PMC PMID:18541361 Europe PMC PMID:20333698 Europe PMC PMID:22696070 Europe PMC PMID:25649981 Europe PMC PMID:25918710 Europe PMC PMID:26826276 Europe PMC PMID:26894087 Europe PMC PMID:27315825 Europe PMC PMID:27676154 Europe PMC PMID:2866623 Europe PMC PMID:29291631 Europe PMC PMID:29385060 Europe PMC PMID:29538403 Europe PMC PMID:29872754 Europe PMC PMID:29933732 Europe PMC PMID:30075941 Europe PMC PMID:30248704 Europe PMC PMID:30254419 Europe PMC PMID:30663866 Europe PMC PMID:31019367 Europe PMC PMID:31194000 Europe PMC PMID:31256364 Europe PMC PMID:31437790 Europe PMC PMID:31904021 Europe PMC PMID:32140039 Europe PMC PMID:33254440 Europe PMC PMID:33268675 Europe PMC PMID:33291656 Europe PMC PMID:34234780 Europe PMC PMID:3593207 Europe PMC (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate IUPAC 12-O-tetradecanoylphorbol 13-acetate KEGG_COMPOUND 12-tetradecanoylphorbol 13-acetate KEGG_COMPOUND PMA ChemIDplus TPA ChEBI phorbol 12-myristate 13-acetate KEGG_COMPOUND phorbol 12-tetradecanoate 13-acetate ChemIDplus phorbol-12-myristate-13-acetate ChEBI tetradecanoylphorbol acetate ChemIDplus chebi_ontology trialkyl phosphates CHEBI:37562 trialkyl phosphate trialkyl phosphates ChEBI A molecular entity consisting of two or more chemical elements. chebi_ontology chemical compound heteroatomic molecular entities CHEBI:37577 heteroatomic molecular entity chemical compound ChEBI heteroatomic molecular entities ChEBI Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements. Wikipedia:Halide chebi_ontology halides CHEBI:37578 halide halides ChEBI A compound consisting of an acyl group bonded to halogen. acyl halide chebi_ontology acid halide CHEBI:37579 acyl halide acyl halide IUPAC acid halide ChEBI A lactone having a five-membered lactone ring. 0 C4H3O2R3 83.066 83.01330 O1C(C(C(C1=O)*)*)* CHEBI:13194 CHEBI:18937 CHEBI:22971 CHEBI:541 PMID:18789684 chebi_ontology 1,4-Lactone 1,4-lactones a 1,4-lactone butyrolactones gamma-Laktone gamma-lactona gamma-lactonas gamma-lactones CHEBI:37581 gamma-lactone PMID:18789684 Europe PMC 1,4-Lactone KEGG_COMPOUND 1,4-lactones ChEBI a 1,4-lactone UniProt butyrolactones ChEBI gamma-Laktone ChEBI gamma-lactona ChEBI gamma-lactonas ChEBI gamma-lactones ChEBI sodium phosphates http://langual.org CAS:7632-05-5 Codex::339 Europe::339 Wikipedia:Sodium_phosphates http://www.langual.org/langual_thesaurus.asp?termid=B4424 sodium phosphate chebi_ontology phosphoric acid, sodium salt sodium orthophosphate sodium phosphates sodium salt of phosphoric acid CHEBI:37586 LanguaL term definition: Food additive. sodium phosphate chebi_ontology phosphonic acid derivatives CHEBI:37588 phosphonic acid derivative phosphonic acid derivatives ChEBI CHEBI:25709 CHEBI:37591 chebi_ontology organic phosphonates CHEBI:37592 organic phosphonate organic phosphonates ChEBI Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR. Wikipedia:Nitrogen_mustard nitrogen mustards chebi_ontology nitrogen mustard compound nitrogen mustard compounds nitrogen mustards CHEBI:37598 nitrogen mustard nitrogen mustards IUPAC nitrogen mustard compound ChEBI nitrogen mustard compounds ChEBI nitrogen mustards ChEBI 0 C18H36 InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17- HSNQNPCNYIJJHT-ZCXUNETKSA-N 252.47844 252.28170 CCCCCCCC\C=C/CCCCCCCC Beilstein:1721559 CAS:1779-13-1 (9Z)-octadec-9-ene chebi_ontology (Z)-9-octadecene cis-9-octadecene CHEBI:37604 cis-octadec-9-ene Beilstein:1721559 Beilstein CAS:1779-13-1 NIST Chemistry WebBook (9Z)-octadec-9-ene IUPAC (Z)-9-octadecene NIST_Chemistry_WebBook cis-9-octadecene NIST_Chemistry_WebBook 0 C18H36 InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 HSNQNPCNYIJJHT-UHFFFAOYSA-N 252.47844 252.28170 [H]C(CCCCCCCC)=C([H])CCCCCCCC Beilstein:8330440 octadec-9-ene chebi_ontology CHEBI:37605 octadec-9-ene Beilstein:8330440 Beilstein octadec-9-ene IUPAC An alkene that is octadecane containing one double bond at unspecified position. 0 C18H36 252.479 252.28170 octadecene chebi_ontology CHEBI:37606 octadecene octadecene IUPAC An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom. 0 CNOR3 42.01680 41.99799 [*]C(=O)N([*])[*] CHEBI:35354 CHEBI:35355 carboxamides chebi_ontology carboxamides primary carboxamide CHEBI:37622 carboxamide carboxamides IUPAC carboxamides ChEBI primary carboxamide ChEBI 0 C6H12O6 180.156 180.06339 Beilstein:1724626 CAS:921-60-8 L-gluco-hexose L-glucose chebi_ontology L(-)-glucose CHEBI:37624 L-glucose Beilstein:1724626 ChemIDplus CAS:921-60-8 ChemIDplus L-gluco-hexose IUPAC L-glucose IUPAC L(-)-glucose ChemIDplus The L-enantiomer of glucopyranose. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1 WQZGKKKJIJFFOK-ZZWDRFIYSA-N 180.15588 180.06339 OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O Beilstein:2206321 GlyGen:G16038XU GlyTouCan:G16038XU Reaxys:2206321 L-glucopyranose chebi_ontology WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/ CHEBI:37627 L-glucopyranose Beilstein:2206321 Beilstein Reaxys:2206321 Reaxys L-glucopyranose IUPAC L-glucopyranose UniProt WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/ GlyTouCan A L-glucopyranose with a beta-configuration at the anomeric position. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1 WQZGKKKJIJFFOK-QYESYBIKSA-N 180.15588 180.06339 OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O Beilstein:1907373 GlyGen:G59396XU GlyTouCan:G59396XU Reaxys:1907373 beta-L-glucopyranose chebi_ontology WURCS=2.0/1,1,0/[a1211h-1b_1-5]/1/ CHEBI:37631 beta-L-glucose Beilstein:1907373 Beilstein Reaxys:1907373 Reaxys beta-L-glucopyranose IUPAC WURCS=2.0/1,1,0/[a1211h-1b_1-5]/1/ GlyTouCan A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group. 0 C22H17ClN2 InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H VNFPBHJOKIVQEB-UHFFFAOYSA-N 344.83700 344.10803 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Beilstein:622318 CAS:23593-75-1 DrugBank:DB00257 Drug_Central:719 HMDB:HMDB0001922 KEGG:C06922 KEGG:D00282 LINCS:LSM-5341 PDBeChem:CL6 PMID:18728240 PMID:24892421 Reaxys:622318 Wikipedia:Clotrimazole 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole Clotrimazole chebi_ontology 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole 1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole 1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole 1-(o-Chlorotrityl)imidazole Lotrimin (TN) Mycelex (TN) CHEBI:3764 clotrimazole Beilstein:622318 Beilstein CAS:23593-75-1 ChemIDplus CAS:23593-75-1 KEGG COMPOUND CAS:23593-75-1 NIST Chemistry WebBook Drug_Central:719 DrugCentral PMID:18728240 Europe PMC PMID:24892421 Europe PMC Reaxys:622318 Reaxys 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole IUPAC Clotrimazole KEGG_COMPOUND Clotrimazole KEGG_DRUG 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole ChemIDplus 1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole NIST_Chemistry_WebBook 1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole NIST_Chemistry_WebBook 1-(o-Chlorotrityl)imidazole ChemIDplus Lotrimin (TN) KEGG_DRUG Mycelex (TN) KEGG_DRUG A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. 0 C18H19ClN4 InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 QZUDBNBUXVUHMW-UHFFFAOYSA-N 326.824 326.12982 N1=C(C2=CC=CC=C2NC3=CC=C(C=C13)Cl)N4CCN(CC4)C Beilstein:0764984 CAS:5786-21-0 DrugBank:DB00363 Drug_Central:722 HMDB:HMDB0014507 KEGG:C06924 KEGG:D00283 PMID:18690109 PMID:18766167 PMID:20825390 PMID:24219174 Patent:FR1334944 Patent:NL293201 Patent:US3539573 Reaxys:764984 Wikipedia:Clozapine 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine chebi_ontology Clozapin clozapina clozapine clozapinum CHEBI:3766 clozapine Beilstein:0764984 Beilstein CAS:5786-21-0 ChemIDplus Drug_Central:722 DrugCentral PMID:18690109 Europe PMC PMID:18766167 Europe PMC PMID:20825390 Europe PMC PMID:24219174 Europe PMC Reaxys:764984 Reaxys 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine IUPAC Clozapine KEGG_COMPOUND Clozapin DrugBank clozapina ChEBI clozapine ChEBI clozapinum ChEBI 0 C6H12O6 180.156 180.06339 glucopyranose chebi_ontology CHEBI:37661 glucopyranose glucopyranose IUPAC Any member of a diverse class of complex, multicyclic phytochemicals showing a variety of skeleton arrangements and bioactivities, and having in common a sesquiterpenoid structure including a lactone ring. chebi_ontology sesquiterpene lactones CHEBI:37667 sesquiterpene lactone sesquiterpene lactones ChEBI chebi_ontology terpene lactones CHEBI:37668 terpene lactone terpene lactones ChEBI A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases). Wikipedia:Protease_inhibitor_(biology) chebi_ontology protease inhibitors CHEBI:37670 protease inhibitor protease inhibitors ChEBI chebi_ontology indolocarbazole alkaloids indolocarbazoles CHEBI:37697 indolocarbazole alkaloid indolocarbazole alkaloids ChEBI indolocarbazoles ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases. chebi_ontology protein kinase inhibitors CHEBI:37699 protein kinase inhibitor protein kinase inhibitors ChEBI An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13). chebi_ontology ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitor ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitors EC 2.7.11.13 (protein kinase C) inhibitors EC 2.7.11.13 inhibitor EC 2.7.11.13 inhibitors PKC inhibitor PKC inhibitors PKCalpha inhibitor PKCalpha inhibitors PKCbeta inhibitor PKCbeta inhibitors PKCdelta inhibitor PKCdelta inhibitors PKCepsilon inhibitor PKCepsilon inhibitors PKCgamma inhibitor PKCgamma inhibitors PKCzeta inhibitor PKCzeta inhibitors PKN3 inhibitor PKN3 inhibitors Pkc1p inhibitor Pkc1p inhibitors STK24 inhibitor STK24 inhibitors cPKC inhibitor cPKC inhibitors cPKCalpha inhibitor cPKCalpha inhibitors cPKCbeta inhibitor cPKCbeta inhibitors cPKCgamma inhibitor cPKCgamma inhibitors calcium-dependent protein kinase C inhibitor calcium-dependent protein kinase C inhibitors calcium-independent protein kinase C inhibitor calcium-independent protein kinase C inhibitors calcium/phospholipid dependent protein kinase inhibitor calcium/phospholipid dependent protein kinase inhibitors nPKC inhibitor nPKC inhibitors nPKCdelta inhibitor nPKCdelta inhibitors nPKCepsilon inhibitor nPKCepsilon inhibitors nPKCeta inhibitor nPKCeta inhibitors nPKCtheta inhibitor nPKCtheta inhibitors protein kinase C (EC 2.7.11.13) inhibitor protein kinase C (EC 2.7.11.13) inhibitors protein kinase C inhibitor protein kinase C inhibitors protein kinase Cepsilon inhibitor protein kinase Cepsilon inhibitors CHEBI:37700 EC 2.7.11.13 (protein kinase C) inhibitor ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitor ChEBI ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitors ChEBI EC 2.7.11.13 (protein kinase C) inhibitors ChEBI EC 2.7.11.13 inhibitor ChEBI EC 2.7.11.13 inhibitors ChEBI PKC inhibitor ChEBI PKC inhibitors ChEBI PKCalpha inhibitor ChEBI PKCalpha inhibitors ChEBI PKCbeta inhibitor ChEBI PKCbeta inhibitors ChEBI PKCdelta inhibitor ChEBI PKCdelta inhibitors ChEBI PKCepsilon inhibitor ChEBI PKCepsilon inhibitors ChEBI PKCgamma inhibitor ChEBI PKCgamma inhibitors ChEBI PKCzeta inhibitor ChEBI PKCzeta inhibitors ChEBI PKN3 inhibitor ChEBI PKN3 inhibitors ChEBI Pkc1p inhibitor ChEBI Pkc1p inhibitors ChEBI STK24 inhibitor ChEBI STK24 inhibitors ChEBI cPKC inhibitor ChEBI cPKC inhibitors ChEBI cPKCalpha inhibitor ChEBI cPKCalpha inhibitors ChEBI cPKCbeta inhibitor ChEBI cPKCbeta inhibitors ChEBI cPKCgamma inhibitor ChEBI cPKCgamma inhibitors ChEBI calcium-dependent protein kinase C inhibitor ChEBI calcium-dependent protein kinase C inhibitors ChEBI calcium-independent protein kinase C inhibitor ChEBI calcium-independent protein kinase C inhibitors ChEBI calcium/phospholipid dependent protein kinase inhibitor ChEBI calcium/phospholipid dependent protein kinase inhibitors ChEBI nPKC inhibitor ChEBI nPKC inhibitors ChEBI nPKCdelta inhibitor ChEBI nPKCdelta inhibitors ChEBI nPKCepsilon inhibitor ChEBI nPKCepsilon inhibitors ChEBI nPKCeta inhibitor ChEBI nPKCeta inhibitors ChEBI nPKCtheta inhibitor ChEBI nPKCtheta inhibitors ChEBI protein kinase C (EC 2.7.11.13) inhibitor ChEBI protein kinase C (EC 2.7.11.13) inhibitors ChEBI protein kinase C inhibitor ChEBI protein kinase C inhibitors ChEBI protein kinase Cepsilon inhibitor ChEBI protein kinase Cepsilon inhibitors ChEBI Any imide in which the acyl substituents are any two from carboacyl, sulfonyl and phosphoryl chebi_ontology mixed diacylamines CHEBI:37716 mixed diacylamine mixed diacylamines ChEBI An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). chebi_ontology BChE inhibitor BChE inhibitors BtChoEase inhibitor BtChoEase inhibitors EC 3.1.1.8 (cholinesterase) inhibitors EC 3.1.1.8 inhibitor EC 3.1.1.8 inhibitors anticholineesterase inhibitor anticholineesterase inhibitors anticholinesterase anticholinesterases benzoylcholinesterase inhibitor benzoylcholinesterase inhibitors butyrylcholine esterase inhibitor butyrylcholine esterase inhibitors butyrylcholinesterase inhibitor butyrylcholinesterase inhibitors choline esterase II (unspecific) inhibitor choline esterase II (unspecific) inhibitors choline esterase inhibitor choline esterase inhibitors cholinesterase (EC 3.1.1.8) inhibitor cholinesterase (EC 3.1.1.8) inhibitors cholinesterase inhibitor non-specific cholinesterase inhibitor non-specific cholinesterase inhibitors propionylcholinesterase inhibitor propionylcholinesterase inhibitors pseudocholinesterase inhibitor pseudocholinesterase inhibitors CHEBI:37733 EC 3.1.1.8 (cholinesterase) inhibitor BChE inhibitor ChEBI BChE inhibitors ChEBI BtChoEase inhibitor ChEBI BtChoEase inhibitors ChEBI EC 3.1.1.8 (cholinesterase) inhibitors ChEBI EC 3.1.1.8 inhibitor ChEBI EC 3.1.1.8 inhibitors ChEBI anticholineesterase inhibitor ChEBI anticholineesterase inhibitors ChEBI anticholinesterase ChEBI anticholinesterases ChEBI benzoylcholinesterase inhibitor ChEBI benzoylcholinesterase inhibitors ChEBI butyrylcholine esterase inhibitor ChEBI butyrylcholine esterase inhibitors ChEBI butyrylcholinesterase inhibitor ChEBI butyrylcholinesterase inhibitors ChEBI choline esterase II (unspecific) inhibitor ChEBI choline esterase II (unspecific) inhibitors ChEBI choline esterase inhibitor ChEBI choline esterase inhibitors ChEBI cholinesterase (EC 3.1.1.8) inhibitor ChEBI cholinesterase (EC 3.1.1.8) inhibitors ChEBI cholinesterase inhibitor ChEBI non-specific cholinesterase inhibitor ChEBI non-specific cholinesterase inhibitors ChEBI propionylcholinesterase inhibitor ChEBI propionylcholinesterase inhibitors ChEBI pseudocholinesterase inhibitor ChEBI pseudocholinesterase inhibitors ChEBI CHEBI:26019 chebi_ontology CHEBI:37734 phosphoric ester A phosphonic acid derivative in which one or both OH groups have been esterified. CHEBI:26068 CHEBI:4861 chebi_ontology phosphonate esters CHEBI:37735 phosphonic ester phosphonate esters ChEBI Any glycerolipid having a phosphate group ester-linked to a terminal carbon of the glycerol backbone. CHEBI:24362 CHEBI:5456 PMID:17393491 chebi_ontology glycerophospholipids phosphatide phosphatides phosphoglyceride phosphoglycerides CHEBI:37739 glycerophospholipid PMID:17393491 Europe PMC glycerophospholipids ChEBI phosphatide ChEBI phosphatides ChEBI phosphoglyceride ChEBI phosphoglycerides ChEBI halogen oxide chebi_ontology halogen oxides CHEBI:37749 halogen oxide halogen oxide ChEBI halogen oxides ChEBI chebi_ontology chlorine oxides CHEBI:37750 chlorine oxide chlorine oxides ChEBI Any haloalkane carrying at least one iodo group. iodoalkane chebi_ontology alkyl iodide alkyl iodides iodoalkanes CHEBI:37757 iodoalkane iodoalkane ChEBI alkyl iodide ChEBI alkyl iodides ChEBI iodoalkanes ChEBI 0 CHI3 InChI=1S/CHI3/c2-1(3)4/h1H OKJPEAGHQZHRQV-UHFFFAOYSA-N 393.73205 393.72124 [H]C(I)(I)I CHEBI:29364 CHEBI:31706 CAS:75-47-8 Drug_Central:4579 KEGG:D01910 iodoform chebi_ontology CHI3 Jodoform carbon triiodide triiodomethane CHEBI:37758 iodoform CAS:75-47-8 ChemIDplus CAS:75-47-8 NIST Chemistry WebBook Drug_Central:4579 DrugCentral iodoform IUPAC CHI3 IUPAC Jodoform NIST_Chemistry_WebBook carbon triiodide ChemIDplus triiodomethane NIST_Chemistry_WebBook chebi_ontology CHEBI:37761 metal hydride chebi_ontology CHEBI:37765 halohalide chebi_ontology molybdenum oxides CHEBI:37775 molybdenum oxide molybdenum oxides ChEBI sulfinic acid derivative chebi_ontology derivatives of sulfinic acid sulfinic acid derivatives CHEBI:37784 sulfinic acid derivative sulfinic acid derivative ChEBI derivatives of sulfinic acid ChEBI sulfinic acid derivatives ChEBI chebi_ontology acyclic phosphorus acid anhydrides CHEBI:37786 acyclic phosphorus acid anhydride acyclic phosphorus acid anhydrides ChEBI An organosulfonic acid containing one or more amino groups. chebi_ontology amino sulfonic acids aminosulfonic acid aminosulfonic acids CHEBI:37793 amino sulfonic acid amino sulfonic acids ChEBI aminosulfonic acid ChEBI aminosulfonic acids ChEBI A straight chain alkane composed of 4 carbon atoms. butane http://langual.org 0 C4H10 InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 IJDNQMDRQITEOD-UHFFFAOYSA-N 58.12220 58.07825 CCCC CHEBI:22945 CHEBI:25462 CHEBI:44430 Beilstein:969129 CAS:106-97-8 Codex::943a Europe::943a Gmelin:1148 PDBeChem:NBU PMID:24179026 Reaxys:969129 Wikipedia:Butane http://www.langual.org/langual_thesaurus.asp?termid=B4409 butane chebi_ontology E 943a E-943a E943a N-BUTANE R-600 n-Butan n-C4H10 n-butane CHEBI:37808 LanguaL term definition: Food additive; technological purpose(s): propellant. butane Beilstein:969129 Beilstein CAS:106-97-8 ChemIDplus CAS:106-97-8 NIST Chemistry WebBook Gmelin:1148 Gmelin PMID:24179026 Europe PMC Reaxys:969129 Reaxys butane IUPAC butane UniProt E 943a ChEBI E-943a ChEBI E943a ChEBI N-BUTANE PDBeChem R-600 ChEBI n-Butan ChEBI n-C4H10 NIST_Chemistry_WebBook n-butane NIST_Chemistry_WebBook An aminotoluene in which the amino substituent is para to the methyl group. 0 C7H9N InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3 RZXMPPFPUUCRFN-UHFFFAOYSA-N 107.15310 107.07350 Cc1ccc(N)cc1 Beilstein:471281 CAS:106-49-0 PMID:24285397 PMID:24428433 Reaxys:471281 4-methylaniline chebi_ontology 4-Aminotoluene 4-Methylbenzenamine 4-Toluidine 4-aminotoluene p-Methylbenzenamine p-Tolylamine CHEBI:37825 p-toluidine Beilstein:471281 Beilstein CAS:106-49-0 ChemIDplus CAS:106-49-0 NIST Chemistry WebBook PMID:24285397 Europe PMC PMID:24428433 Europe PMC Reaxys:471281 Reaxys 4-methylaniline IUPAC 4-Aminotoluene ChemIDplus 4-Methylbenzenamine ChEBI 4-Toluidine ChemIDplus 4-aminotoluene UniProt p-Methylbenzenamine ChemIDplus p-Tolylamine ChEBI sulfuric acid derivative chebi_ontology sulfuric acid derivatives CHEBI:37826 sulfuric acid derivative sulfuric acid derivative ChEBI sulfuric acid derivatives ChEBI A straight chain alkane consisting of 5 carbon atoms. 0 C5H12 InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 OFBQJSOFQDEBGM-UHFFFAOYSA-N 72.14878 72.09390 CCCCC CHEBI:25888 CHEBI:25889 CHEBI:43771 Beilstein:969132 CAS:109-66-0 Gmelin:1766 HMDB:HMDB0029603 PDBeChem:LNK PMID:14664856 PMID:24284369 PMID:24702114 Wikipedia:Pentane PENTANE pentane chebi_ontology CH3-[CH2]3-CH3 Pentan R-601 n-pentane CHEBI:37830 pentane Beilstein:969132 Beilstein CAS:109-66-0 ChemIDplus CAS:109-66-0 NIST Chemistry WebBook Gmelin:1766 Gmelin PMID:14664856 Europe PMC PMID:24284369 Europe PMC PMID:24702114 Europe PMC PENTANE PDBeChem pentane IUPAC CH3-[CH2]3-CH3 IUPAC Pentan NIST_Chemistry_WebBook R-601 ChEBI n-pentane NIST_Chemistry_WebBook 0 C20H34 InChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h9,11-12,14-15,17-18,20H,3-8,10,13,16,19H2,1-2H3/b11-9-,14-12-,17-15-,20-18- GATCEMOYCMSXRC-BSEOOTKBSA-N 274.48396 274.26605 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC Beilstein:9499933 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene chebi_ontology CHEBI:37834 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene Beilstein:9499933 Beilstein (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene IUPAC Acyclic branched or unbranched hydrocarbons having four carbon-carbon double bonds. alkatetraene alkatetraenes chebi_ontology alkatetraenes CHEBI:37835 alkatetraene alkatetraene IUPAC alkatetraenes IUPAC alkatetraenes ChEBI A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid. carboacyl groups carboxylic acyl group chebi_ontology carboxylic acyl groups CHEBI:37838 carboacyl group carboacyl groups IUPAC carboxylic acyl group IUPAC carboxylic acyl groups IUPAC A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. CHEBI:26158 Wikipedia:Phytohormone chebi_ontology phytohormone phytohormones plant growth factor plant growth factors plant growth hormone plant growth hormones plant hormones CHEBI:37848 plant hormone phytohormone ChEBI phytohormones ChEBI plant growth factor ChEBI plant growth factors ChEBI plant growth hormone ChEBI plant growth hormones ChEBI plant hormones ChEBI phosphate salt chebi_ontology CHEBI:37863 chalcoperoxol An agent that selectively binds to and activates adrenergic receptors. chebi_ontology adrenergic agonists adrenergic receptor agonist adrenoceptor agonists adrenomimetic adrenomimetics CHEBI:37886 adrenergic agonist adrenergic agonists ChEBI adrenergic receptor agonist ChEBI adrenoceptor agonists IUPHAR adrenomimetic ChEBI adrenomimetics ChEBI An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. chebi_ontology adrenergic antagonists adrenergic blockaders adrenergic blocker adrenergic blockers adrenergic receptor blockaders adrenoceptor antagonists CHEBI:37887 adrenergic antagonist adrenergic antagonists ChEBI adrenergic blockaders ChEBI adrenergic blocker ChEBI adrenergic blockers ChEBI adrenergic receptor blockaders ChEBI adrenoceptor antagonists IUPHAR An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. chebi_ontology alpha-adrenergic antagonists alpha-adrenergic blocker alpha-adrenergic blockers alpha-adrenergic receptor blockaders alpha-adrenoceptor antagonists CHEBI:37890 alpha-adrenergic antagonist alpha-adrenergic antagonists ChEBI alpha-adrenergic blocker ChEBI alpha-adrenergic blockers ChEBI alpha-adrenergic receptor blockaders ChEBI alpha-adrenoceptor antagonists IUPHAR 0 C9H8 116.160 116.06260 CHEBI:24791 CHEBI:35303 indene chebi_ontology CHEBI:37910 indene indene IUPAC Any coumarin carrying at least one hydroxy substituent. CHEBI:24691 CHEBI:24692 chebi_ontology hydroxycoumarins CHEBI:37912 hydroxycoumarin hydroxycoumarins ChEBI chebi_ontology CHEBI:37921 pyridazines chebi_ontology phenothiazine antipsychotic drugs phenothiazine antipsychotics phenothiazine neuroleptics CHEBI:37930 phenothiazine antipsychotic drug phenothiazine antipsychotic drugs ChEBI phenothiazine antipsychotics ChEBI phenothiazine neuroleptics ChEBI The 10H-tautomer of phenothiazine. 0 C12H9NS InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H WJFKNYWRSNBZNX-UHFFFAOYSA-N 199.27260 199.04557 N1c2ccccc2Sc2ccccc12 Beilstein:143237 CAS:92-84-2 LINCS:LSM-3324 PMID:25382702 PMID:26661932 Reaxys:143237 Wikipedia:Phenothiazine 10H-phenothiazine chebi_ontology 10H-Phenothiazin dibenzo-1,4-thiazine phenothiazine CHEBI:37931 10H-phenothiazine Beilstein:143237 Beilstein CAS:92-84-2 ChemIDplus CAS:92-84-2 NIST Chemistry WebBook PMID:25382702 Europe PMC PMID:26661932 Europe PMC Reaxys:143237 Reaxys 10H-phenothiazine IUPAC 10H-Phenothiazin NIST_Chemistry_WebBook dibenzo-1,4-thiazine ChemIDplus phenothiazine NIST_Chemistry_WebBook 0 C12H9NS 199.273 199.04557 phenothiazine chebi_ontology Phenothiazin CHEBI:37932 phenothiazine phenothiazine IUPAC Phenothiazin ChEBI 0 C12H9NS InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,11H UTOHXUCINHSOMQ-UHFFFAOYSA-N 199.27260 199.04557 S1C2C=CC=CC2=Nc2ccccc12 Beilstein:1211644 4aH-phenothiazine chebi_ontology CHEBI:37933 4aH-phenothiazine Beilstein:1211644 Beilstein 4aH-phenothiazine IUPAC 0 C12H9NS InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-8H,6H2 QWXDTDWOYQPERX-UHFFFAOYSA-N 199.27260 199.04557 C1C=CC=C2Sc3ccccc3N=C12 1H-phenothiazine chebi_ontology CHEBI:37934 1H-phenothiazine 1H-phenothiazine IUPAC 0 C12H9NS InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-3,5-8H,4H2 FIICCGOYRVMEPV-UHFFFAOYSA-N 199.27260 199.04557 C1C=CC2=Nc3ccccc3SC2=C1 3H-phenothiazine chebi_ontology CHEBI:37935 3H-phenothiazine 3H-phenothiazine IUPAC A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. 0 C16H16ClNO2S InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1 GKTWGGQPFAXNFI-HNNXBMFYSA-N 321.82200 321.05903 COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl Beilstein:8151914 CAS:113665-84-2 DrugBank:DB00758 Drug_Central:708 LINCS:LSM-5415 PMID:10983738 PMID:11095576 PMID:11701941 PMID:16802846 PMID:18520712 PMID:18708826 PMID:19573725 Patent:EP281459 Patent:EP99802 Patent:US4529596 Patent:US4847265 Wikipedia:Clopidogrel methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate chebi_ontology (+)-Clopidogrel clopidogrel clopidogrelum CHEBI:37941 clopidogrel Beilstein:8151914 Beilstein CAS:113665-84-2 ChemIDplus Drug_Central:708 DrugCentral PMID:10983738 Europe PMC PMID:11095576 Europe PMC PMID:11701941 Europe PMC PMID:16802846 Europe PMC PMID:18520712 Europe PMC PMID:18708826 Europe PMC PMID:19573725 Europe PMC methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate IUPAC (+)-Clopidogrel ChEBI clopidogrel WHO_MedNet clopidogrelum ChemIDplus Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene. chebi_ontology thienopyridines CHEBI:37942 thienopyridine thienopyridines ChEBI Any carbohydrate sulfate that is a polysaccharide carrying at least one O-sulfo substituent. polysaccharide sulfate chebi_ontology CHEBI:37947 benzothiazoles A spiro compound in which at least one of the cyclic components is an oxygen heterocyle. chebi_ontology oxaspiro compounds CHEBI:37948 oxaspiro compound oxaspiro compounds ChEBI chebi_ontology azacycloalkanes CHEBI:37949 azacycloalkane azacycloalkanes ChEBI H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. PMID:22035879 chebi_ontology H1 antihistaminics H1 receptor antagonists H1 receptor blockaders H1-receptor antagonists H1-receptor blocker H1-receptor blockers classical antihistamines classical antihistaminics CHEBI:37955 H1-receptor antagonist PMID:22035879 Europe PMC H1 antihistaminics ChEBI H1 receptor antagonists IUPHAR H1 receptor blockaders ChEBI H1-receptor antagonists ChEBI H1-receptor blocker ChEBI H1-receptor blockers ChEBI classical antihistamines ChEBI classical antihistaminics ChEBI Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. PMID:22035879 Wikipedia:Antihistamines chebi_ontology antihistamine antihistamines antihistaminico antihistaminics histamine receptor blocker histamine receptor blockers CHEBI:37956 histamine antagonist PMID:22035879 Europe PMC antihistamine ChEBI antihistamines ChEBI antihistaminico ChEBI antihistaminics ChEBI histamine receptor blocker ChEBI histamine receptor blockers ChEBI Drugs used for their actions on histaminergic systems. chebi_ontology histamine agents histamine drugs histaminergic agent histaminergic agents histaminergic drugs CHEBI:37957 histaminergic drug histamine agents ChEBI histamine drugs ChEBI histaminergic agent ChEBI histaminergic agents ChEBI histaminergic drugs ChEBI chebi_ontology Farbstoff Farbstoffe colorante colorantes dyes teinture teintures CHEBI:37958 dye Farbstoff ChEBI Farbstoffe ChEBI colorante ChEBI colorantes ChEBI dyes ChEBI teinture ChEBI teintures ChEBI H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine. chebi_ontology H2 receptor antagonists H2 receptor blockaders H2-receptor blocker H2-receptor blockers histamine H2 receptor antagonist histamine H2 receptor antagonists CHEBI:37961 H2-receptor antagonist H2 receptor antagonists IUPHAR H2 receptor blockaders ChEBI H2-receptor blocker ChEBI H2-receptor blockers ChEBI histamine H2 receptor antagonist ChEBI histamine H2 receptor antagonists ChEBI Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter. chebi_ontology adrenergic agents adrenergic drug adrenergic drugs adrenergic neuron agents adrenergics CHEBI:37962 adrenergic agent adrenergic agents ChEBI adrenergic drug ChEBI adrenergic drugs ChEBI adrenergic neuron agents ChEBI adrenergics ChEBI Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent. pyranone chebi_ontology oxopyrans pyranones pyrone pyrones CHEBI:37963 pyranone pyranone ChEBI oxopyrans ChEBI pyranones ChEBI pyrone ChEBI pyrones ChEBI A macromolecule derived from one species of (real, implicit or hypothetical) monomer. homopolymer chebi_ontology homopolymer molecule homopolymer molecules homopolymers CHEBI:37997 homopolymer macromolecule homopolymer IUPAC homopolymer molecule ChEBI homopolymer molecules ChEBI homopolymers ChEBI Any aminopurine that has amino substituents at positions 2 and 6, and their substituted derivatives. 2,6-diaminopurines chebi_ontology CHEBI:38001 2,6-diaminopurines 2,6-diaminopurines ChEBI A carbopolyclic compound comprising of three carbocyclic rings. chebi_ontology carbotricyclic compounds CHEBI:38032 carbotricyclic compound carbotricyclic compounds ChEBI chebi_ontology aminonaphthalenes CHEBI:38034 aminonaphthalene aminonaphthalenes ChEBI 0 C3H6O3 90.078 90.03169 trioxane chebi_ontology trioxanes CHEBI:38044 trioxane trioxane IUPAC trioxanes ChEBI Any of three isomers generated by replacing three of the carbon atoms of benzene with nitrogen atoms. 0 C3H3N3 81.076 81.03270 triazine chebi_ontology Triazin CHEBI:38056 triazine triazine IUPAC Triazin ChEBI chebi_ontology CHEBI:38060 triazine insecticide A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. 0 C9H16ClN5 InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15) WJNRPILHGGKWCK-UHFFFAOYSA-N 229.70974 229.10942 CC(C)Nc1nc(Cl)nc(NC(C)C)n1 CHEBI:26297 CHEBI:34937 Beilstein:747081 CAS:139-40-2 KEGG:C14312 LINCS:LSM-20981 PMID:16986790 PMID:23875679 PPDB:548 Pesticides:propazine Reaxys:747081 UM-BBD_compID:c0253 6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine Propazine chebi_ontology 2,4-bis(isopropylamino)-6-chloro-s-triazine 2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine 2-chloro-4,6-bis(isopropylamino)-s-triazine 6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine 6-chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine 6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine 6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine Prozinex CHEBI:38067 propazine Beilstein:747081 Beilstein CAS:139-40-2 ChemIDplus CAS:139-40-2 KEGG COMPOUND CAS:139-40-2 NIST Chemistry WebBook PMID:16986790 Europe PMC PMID:23875679 Europe PMC Pesticides:propazine Alan Wood's Pesticides Reaxys:747081 Reaxys UM-BBD_compID:c0253 UM-BBD 6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC Propazine KEGG_COMPOUND 2,4-bis(isopropylamino)-6-chloro-s-triazine NIST_Chemistry_WebBook 2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine KEGG_COMPOUND 2-chloro-4,6-bis(isopropylamino)-s-triazine NIST_Chemistry_WebBook 6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine NIST_Chemistry_WebBook 6-chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine NIST_Chemistry_WebBook 6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine IUPAC 6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine NIST_Chemistry_WebBook Prozinex NIST_Chemistry_WebBook A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. chebi_ontology antimalarials CHEBI:38068 antimalarial antimalarials ChEBI A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively. 0 C9H13ClN6 InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16) MZZBPDKVEFVLFF-UHFFFAOYSA-N 240.69266 240.08902 CCNc1nc(Cl)nc(NC(C)(C)C#N)n1 CHEBI:23421 CHEBI:34658 Beilstein:615509 CAS:21725-46-2 KEGG:C14299 PMID:16882534 PMID:23762632 PMID:24607126 PMID:24631619 PPDB:185 Pesticides:cyanazine Reaxys:615509 UM-BBD_compID:c0176 2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile Cyanazine chebi_ontology 2-([4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino)-2-methylpropanenitrile 2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methylpropionitrile 2-chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine Bladex Fortrol CHEBI:38069 cyanazine Beilstein:615509 Beilstein CAS:21725-46-2 ChemIDplus CAS:21725-46-2 KEGG COMPOUND CAS:21725-46-2 NIST Chemistry WebBook PMID:16882534 Europe PMC PMID:23762632 Europe PMC PMID:24607126 Europe PMC PMID:24631619 Europe PMC Pesticides:cyanazine Alan Wood's Pesticides Reaxys:615509 Reaxys UM-BBD_compID:c0176 UM-BBD 2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile IUPAC Cyanazine KEGG_COMPOUND 2-([4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino)-2-methylpropanenitrile NIST_Chemistry_WebBook 2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine ChemIDplus 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methylpropionitrile NIST_Chemistry_WebBook 2-chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine ChEBI Bladex NIST_Chemistry_WebBook Fortrol NIST_Chemistry_WebBook A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. chebi_ontology anti-arrhythmia agent antiarrhythmic agent CHEBI:38070 anti-arrhythmia drug anti-arrhythmia agent ChEBI antiarrhythmic agent ChEBI 0 C3H5N5 InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8) VZXTWGWHSMCWGA-UHFFFAOYSA-N 111.10550 111.05450 Nc1ncnc(N)n1 Beilstein:113526 CAS:504-08-5 1,3,5-triazine-2,4-diamine chebi_ontology 2,4-diamino-s-triazine 2,6-diamino-s-triazine 4,6-diamino-s-triazine diamino-s-triazine formoguanamine guanamine CHEBI:38071 1,3,5-triazine-2,4-diamine Beilstein:113526 Beilstein CAS:504-08-5 ChemIDplus 1,3,5-triazine-2,4-diamine IUPAC 2,4-diamino-s-triazine ChemIDplus 2,6-diamino-s-triazine ChemIDplus 4,6-diamino-s-triazine ChemIDplus diamino-s-triazine ChemIDplus formoguanamine ChemIDplus guanamine ChemIDplus 0 C3H2ClN3 InChI=1S/C3H2ClN3/c4-3-6-1-5-2-7-3/h1-2H HTSVYUUXJSMGQC-UHFFFAOYSA-N 115.52090 114.99372 Clc1ncncn1 2-chloro-1,3,5-triazine chebi_ontology chloro-s-triazine CHEBI:38074 2-chloro-1,3,5-triazine 2-chloro-1,3,5-triazine IUPAC chloro-s-triazine ChEBI A compound composed of two or more pyrrole units. Beilstein:8538310 chebi_ontology PPys poly(pyrrole)s polypyrroles CHEBI:38077 polypyrrole Beilstein:8538310 Beilstein PPys ChEBI poly(pyrrole)s ChEBI polypyrroles ChEBI 0 C3H6S2 InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2 IMLSAISZLJGWPP-UHFFFAOYSA-N 106.21174 105.99109 C1CSCS1 Beilstein:102455 CAS:4829-04-3 Gmelin:82036 1,3-dithiolane chebi_ontology 1,3-dithiacyclopentane CHEBI:38079 1,3-dithiolane Beilstein:102455 Beilstein CAS:4829-04-3 ChemIDplus CAS:4829-04-3 NIST Chemistry WebBook Gmelin:82036 Gmelin 1,3-dithiolane IUPAC 1,3-dithiacyclopentane NIST_Chemistry_WebBook An ester of malonic acid; any compound containing a malonate ester skeleton. chebi_ontology malonate malonate esters malonates CHEBI:38083 malonate ester malonate ChEBI malonate esters ChEBI malonates ChEBI A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. 0 C8H6O2 InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 WNZQDUSMALZDQF-UHFFFAOYSA-N 134.13200 134.03678 O=C1OCc2ccccc12 CAS:87-41-2 HMDB:HMDB0032469 PMID:23462848 Reaxys:114632 Wikipedia:Phthalide 2-benzofuran-1(3H)-one chebi_ontology 1(3H)-isobenzofuranone 1-Phthalanone 2-Hydroxymethylbenzoic acid, gamma-lactone 3-oxo-1,3-dihydro-isobenzofuran Phthalolactone isobenzofuranone phthalide CHEBI:38085 2-benzofuran-1(3H)-one CAS:87-41-2 ChemIDplus CAS:87-41-2 NIST Chemistry WebBook PMID:23462848 Europe PMC Reaxys:114632 Reaxys 2-benzofuran-1(3H)-one IUPAC 1(3H)-isobenzofuranone NIST_Chemistry_WebBook 1-Phthalanone ChemIDplus 2-Hydroxymethylbenzoic acid, gamma-lactone ChemIDplus 3-oxo-1,3-dihydro-isobenzofuran ChEBI Phthalolactone ChemIDplus isobenzofuranone ChEBI phthalide ChemIDplus An intramolecular cyclic ester of a hydroxy sulfonic acid, analogous to lactone. sultones chebi_ontology CHEBI:38088 sultone sultones IUPAC Any member of the class of cardenolides with glycosyl residues attached to position 3. CHEBI:23035 CHEBI:38080 CHEBI:38082 chebi_ontology 5alpha-cardenolide glycoside 5beta-cardenolide glycoside CHEBI:38092 cardenolide glycoside 5alpha-cardenolide glycoside ChEBI 5beta-cardenolide glycoside ChEBI chebi_ontology CHEBI:38093 phenothiazines chebi_ontology CHEBI:38099 thiadiazoles Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. chebi_ontology heterocyclic organonitrogen compounds organonitrogen heterocyclic compounds CHEBI:38101 organonitrogen heterocyclic compound heterocyclic organonitrogen compounds ChEBI organonitrogen heterocyclic compounds ChEBI Compounds based on a triazine skeleton. chebi_ontology CHEBI:38102 triazines Any organic heterocyclic compound containing at least one ring oxygen atom. PMID:17134300 chebi_ontology heterocyclic organooxygen compounds organooxygen heterocyclic compounds oxacycles CHEBI:38104 oxacycle PMID:17134300 Europe PMC heterocyclic organooxygen compounds ChEBI organooxygen heterocyclic compounds ChEBI oxacycles ChEBI 0 C23H34O5 InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1 PVAMXWLZJKTXFW-VQMOFDJESA-N 390.51306 390.24062 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 Beilstein:96483 CAS:545-26-6 3beta,14,16beta-trihydroxy-5beta-card-20(22)-enolide chebi_ontology 16beta-Hydroxydigitoxigenin CHEBI:38105 gitoxigenin Beilstein:96483 Beilstein CAS:545-26-6 ChemIDplus 3beta,14,16beta-trihydroxy-5beta-card-20(22)-enolide IUPAC 16beta-Hydroxydigitoxigenin ChemIDplus chebi_ontology heterocyclic organosulfur compounds organosulfur heterocyclic compounds CHEBI:38106 organosulfur heterocyclic compound heterocyclic organosulfur compounds ChEBI organosulfur heterocyclic compounds ChEBI Any aldehyde with two aldehyde groups. chebi_ontology bialdehyde bialdehydes dialdehydes CHEBI:38124 dialdehyde bialdehyde ChEBI bialdehydes ChEBI dialdehydes ChEBI Any organonitrogen compound with formula RS-C(=X)NH2 where X = O (monothiocarbamic esters) or S (dithiocarbamic esters), or their N-substituted derivatives. thiocarbamic ester chebi_ontology thiocarbamate thiocarbamates CHEBI:38127 thiocarbamic ester thiocarbamic ester ChEBI thiocarbamate ChEBI thiocarbamates ChEBI A thiocarbamic ester formally derived from a monothiocarbamic acid. monothiocarbamic ester chebi_ontology carbamothioates thiocarbamates CHEBI:38128 monothiocarbamic ester monothiocarbamic ester ChEBI carbamothioates ChEBI thiocarbamates ChEBI Any ester derived from a member of the class of dithiocarbamic acids by formal replacement of the -SH group by -SR, where R is an organyl group. dithiocarbamic ester chebi_ontology carbamodithioates carbamodithioic esters dithiocarbamoates CHEBI:38129 dithiocarbamic ester dithiocarbamic ester ChEBI carbamodithioates ChEBI carbamodithioic esters ChEBI dithiocarbamoates ChEBI Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues. Wikipedia:Lactol lactol lactols chebi_ontology lactols CHEBI:38131 lactol lactol IUPAC lactols IUPAC lactols ChEBI A drug that has a strengthening effect on the heart or that can increase cardiac output. chebi_ontology cardiotonic drugs CHEBI:38147 cardiotonic drug cardiotonic drugs ChEBI Any of low-molecular-mass iron(III)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron. CHEBI:26122 CHEBI:38117 chebi_ontology Phytosiderophor phytosiderophores CHEBI:38155 phytosiderophore Phytosiderophor ChEBI phytosiderophores ChEBI chebi_ontology iron chelating agents iron chelators CHEBI:38157 iron chelator iron chelating agents ChEBI iron chelators ChEBI A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. CHEBI:23090 CHEBI:3585 CHEBI:6789 KEGG:C00917 KEGG:C02169 chebi_ontology Chelating agent Metal chelator chelating agents chelators complexon CHEBI:38161 chelator Chelating agent KEGG_COMPOUND Metal chelator KEGG_COMPOUND chelating agents ChEBI chelators ChEBI complexon ChEBI chebi_ontology organic heterotetracyclic compounds CHEBI:38163 organic heterotetracyclic compound organic heterotetracyclic compounds ChEBI chebi_ontology organic heteropentacyclic compounds CHEBI:38164 organic heteropentacyclic compound organic heteropentacyclic compounds ChEBI chebi_ontology organic heterooctacyclic compounds CHEBI:38165 organic heterooctacyclic compound organic heterooctacyclic compounds ChEBI CHEBI:25429 CHEBI:38075 chebi_ontology organic heteropolycyclic compounds CHEBI:38166 organic heteropolycyclic compound organic heteropolycyclic compounds ChEBI A member of the class of 1,3,5-triazines that is 1,3,5-triazine substituted by at least one chloro group at unspecified position. chebi_ontology chloro-1,3,5-triazines CHEBI:38168 chloro-1,3,5-triazine chloro-1,3,5-triazines ChEBI Any member of the class of 1,3,5-triazines that consists of a 1,3,5-triazine skeleton substituted by two amino groups. chebi_ontology diamino-1,3,5-triazines CHEBI:38170 diamino-1,3,5-triazine diamino-1,3,5-triazines ChEBI chebi_ontology methylthio-1,3,5-triazines CHEBI:38174 methylthio-1,3,5-triazine methylthio-1,3,5-triazines ChEBI Any diamino-1,3,5-triazine in which the amino group is substituted by at least one cyano group. chebi_ontology 1,3,5-triazinylamino nitriles CHEBI:38176 1,3,5-triazinylamino nitrile 1,3,5-triazinylamino nitriles ChEBI Any member of the class of 1,3,5-triazines substituted by at least one methoxy group. chebi_ontology methoxy-1,3,5-triazines CHEBI:38177 methoxy-1,3,5-triazine methoxy-1,3,5-triazines ChEBI chebi_ontology monocyclic heteroarenes CHEBI:38179 monocyclic heteroarene monocyclic heteroarenes ChEBI chebi_ontology polycyclic heteroarenes CHEBI:38180 polycyclic heteroarene polycyclic heteroarenes ChEBI A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'. chebi_ontology pyridinemonocarboxylates CHEBI:38181 pyridinemonocarboxylate pyridinemonocarboxylates ChEBI A pyridinemonocarboxylate resulting from the removal of a proton from the carboxy group of picolinic acid. -1 C6H4NO2 InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)/p-1 SIOXPEMLGUPBBT-UHFFFAOYSA-M 122.10150 122.02475 [O-]C(=O)c1ccccn1 MetaCyc:PICOLINATE picolinate pyridine-2-carboxylate chebi_ontology CHEBI:38184 picolinate picolinate UniProt pyridine-2-carboxylate IUPAC chebi_ontology phenylpyridines CHEBI:38193 phenylpyridine phenylpyridines ChEBI Compounds containing a pyridine skeleton substituted by one or more amine groups. chebi_ontology aminopyridines CHEBI:38207 aminopyridine aminopyridines ChEBI A naphthalenesulfonic acid having at least one amino substituent. 0 C10H9NO3S 223.250 223.03031 aminonaphthalenesulfonic acid chebi_ontology CHEBI:38210 aminonaphthalenesulfonic acid aminonaphthalenesulfonic acid IUPAC 0 BrKO3 BrO3.K InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1 OCATYIAKPYKMPG-UHFFFAOYSA-M 167.00050 165.86679 [K+].[O-]Br(=O)=O CAS:7758-01-2 Gmelin:15380 KEGG:C19295 potassium bromate potassium trioxidobromate(1-) chebi_ontology Bromic acid, potassium salt E924 potassium trioxobromate CHEBI:38211 potassium bromate CAS:7758-01-2 ChemIDplus CAS:7758-01-2 KEGG COMPOUND Gmelin:15380 Gmelin potassium bromate IUPAC potassium trioxidobromate(1-) IUPAC Bromic acid, potassium salt ChemIDplus E924 ChEBI potassium trioxobromate NIST_Chemistry_WebBook A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups. 0 C9H11ClN2O InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) BMLIZLVNXIYGCK-UHFFFAOYSA-N 198.64900 198.05599 CN(C)C(=O)Nc1ccc(Cl)cc1 Beilstein:2097922 CAS:150-68-5 KEGG:C19087 MetaCyc:CPD-23255 PPDB:476 Pesticides:monuron Reaxys:2097922 3-(4-chlorophenyl)-1,1-dimethylurea monuron chebi_ontology 1,1-Dimethyl-3-(p-chlorophenyl)urea 3-(p-Chlorophenyl)-1,1-dimethylurea CMU N'-(4-chlorophenyl)-N,N-dimethylurea N,N-Dimethyl-N'-(4-chlorophenyl)urea N-(4-chlorophenyl)-N',N'-dimethylurea CHEBI:38214 monuron Beilstein:2097922 Beilstein CAS:150-68-5 ChemIDplus CAS:150-68-5 KEGG COMPOUND CAS:150-68-5 NIST Chemistry WebBook Pesticides:monuron Alan Wood's Pesticides Reaxys:2097922 Reaxys 3-(4-chlorophenyl)-1,1-dimethylurea IUPAC monuron UniProt 1,1-Dimethyl-3-(p-chlorophenyl)urea ChemIDplus 3-(p-Chlorophenyl)-1,1-dimethylurea ChemIDplus CMU NIST_Chemistry_WebBook N'-(4-chlorophenyl)-N,N-dimethylurea NIST_Chemistry_WebBook N,N-Dimethyl-N'-(4-chlorophenyl)urea ChemIDplus N-(4-chlorophenyl)-N',N'-dimethylurea IUPAC One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. chebi_ontology calcium channel antagonist calcium channel antagonists calcium channel blockers CHEBI:38215 calcium channel blocker calcium channel antagonist ChEBI calcium channel antagonists ChEBI calcium channel blockers ChEBI 0 C8H4N2 InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H LAQPNDIUHRHNCV-UHFFFAOYSA-N 128.13084 128.03745 N#Cc1cccc(c1)C#N Beilstein:2038364 CAS:626-17-5 benzene-1,3-dicarbonitrile chebi_ontology 1,3-Benzenedicarbonitrile 1,3-Dicyanobenzene 3-Cyanobenzonitrile IPN Isophthalodinitrile m-Dicyanobenzene CHEBI:38218 isophthalonitrile Beilstein:2038364 Beilstein CAS:626-17-5 ChemIDplus CAS:626-17-5 NIST Chemistry WebBook benzene-1,3-dicarbonitrile IUPAC 1,3-Benzenedicarbonitrile NIST_Chemistry_WebBook 1,3-Dicyanobenzene ChemIDplus 3-Cyanobenzonitrile ChemIDplus IPN NIST_Chemistry_WebBook Isophthalodinitrile NIST_Chemistry_WebBook m-Dicyanobenzene ChemIDplus chebi_ontology CHEBI:38222 hydrocarbyl anion Any toxin produced by a plant. chebi_ontology phytotoxins CHEBI:38231 phytotoxin phytotoxins ChEBI Any inhibitor of a DNA polymerase. chebi_ontology CHEBI:38234 DNA polymerase inhibitor Any of a class of heterocyclic amines having a saturated five-membered ring. CHEBI:26922 CHEBI:38191 chebi_ontology CHEBI:38260 pyrrolidines chebi_ontology CHEBI:38261 imidazolidines chebi_ontology pyrrolidinones CHEBI:38275 pyrrolidinone pyrrolidinones ChEBI The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants. -1 C6H7O6 InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1 CIWBSHSKHKDKBQ-JLAZNSOCSA-M 175.11618 175.02481 [H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO CHEBI:13082 CHEBI:13861 Beilstein:3549814 CAS:299-36-5 Chemspider:10239162 Gmelin:506552 KEGG:C00072 MetaCyc:ASCORBATE PMID:18450228 PMID:18678913 PMID:19162177 PMID:9506998 (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate L-Ascorbate L-ascorbate chebi_ontology Ascorbate L-ascorbate(1-) L-ascorbic acid, ion(1-) Vitamin C CHEBI:38290 L-ascorbate Beilstein:3549814 Beilstein CAS:299-36-5 ChemIDplus Gmelin:506552 Gmelin PMID:18450228 Europe PMC PMID:18678913 Europe PMC PMID:19162177 Europe PMC PMID:9506998 Europe PMC (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate IUPAC L-Ascorbate KEGG_COMPOUND L-ascorbate UniProt Ascorbate KEGG_COMPOUND L-ascorbate(1-) ChEBI L-ascorbic acid, ion(1-) ChemIDplus Vitamin C KEGG_COMPOUND chebi_ontology azabicycloalkanes CHEBI:38295 azabicycloalkane azabicycloalkanes ChEBI chebi_ontology thiabicycloalkanes CHEBI:38297 thiabicycloalkane thiabicycloalkanes ChEBI chebi_ontology CHEBI:38298 benzodioxoles chebi_ontology diazolidines CHEBI:38304 diazolidine diazolidines ChEBI chebi_ontology cephems CHEBI:38311 cephem cephems ChEBI Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure). chebi_ontology CHEBI:38313 diazines chebi_ontology CHEBI:38314 pyrazines chebi_ontology beta-D-arabinosides CHEBI:38315 beta-D-arabinoside beta-D-arabinosides ChEBI An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27). CHEBI:50380 chebi_ontology 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitor 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitors 4-hydroxyphenylpyruvate dioxygenase inhibitor 4-hydroxyphenylpyruvate dioxygenase inhibitors 4-hydroxyphenylpyruvate hydroxylase inhibitor 4-hydroxyphenylpyruvate hydroxylase inhibitors 4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitor 4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitors 4-hydroxyphenylpyruvic acid dioxygenase inhibitor 4-hydroxyphenylpyruvic acid dioxygenase inhibitors EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitors EC 1.13.11.27 inhibitor EC 1.13.11.27 inhibitors HPPD inhibitor HPPD inhibitors p-hydroxyphenylpyruvate dioxygenase inhibitor p-hydroxyphenylpyruvate dioxygenase inhibitors p-hydroxyphenylpyruvate hydroxylase inhibitor p-hydroxyphenylpyruvate hydroxylase inhibitors p-hydroxyphenylpyruvate oxidase inhibitor p-hydroxyphenylpyruvate oxidase inhibitors p-hydroxyphenylpyruvic acid hydroxylase inhibitor p-hydroxyphenylpyruvic acid hydroxylase inhibitors p-hydroxyphenylpyruvic hydroxylase inhibitor p-hydroxyphenylpyruvic hydroxylase inhibitors p-hydroxyphenylpyruvic oxidase inhibitor p-hydroxyphenylpyruvic oxidase inhibitors CHEBI:38317 EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitor ChEBI 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitors ChEBI 4-hydroxyphenylpyruvate dioxygenase inhibitor ChEBI 4-hydroxyphenylpyruvate dioxygenase inhibitors ChEBI 4-hydroxyphenylpyruvate hydroxylase inhibitor ChEBI 4-hydroxyphenylpyruvate hydroxylase inhibitors ChEBI 4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitor ChEBI 4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitors ChEBI 4-hydroxyphenylpyruvic acid dioxygenase inhibitor ChEBI 4-hydroxyphenylpyruvic acid dioxygenase inhibitors ChEBI EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitors ChEBI EC 1.13.11.27 inhibitor ChEBI EC 1.13.11.27 inhibitors ChEBI HPPD inhibitor ChEBI HPPD inhibitors ChEBI p-hydroxyphenylpyruvate dioxygenase inhibitor ChEBI p-hydroxyphenylpyruvate dioxygenase inhibitors ChEBI p-hydroxyphenylpyruvate hydroxylase inhibitor ChEBI p-hydroxyphenylpyruvate hydroxylase inhibitors ChEBI p-hydroxyphenylpyruvate oxidase inhibitor ChEBI p-hydroxyphenylpyruvate oxidase inhibitors ChEBI p-hydroxyphenylpyruvic acid hydroxylase inhibitor ChEBI p-hydroxyphenylpyruvic acid hydroxylase inhibitors ChEBI p-hydroxyphenylpyruvic hydroxylase inhibitor ChEBI p-hydroxyphenylpyruvic hydroxylase inhibitors ChEBI p-hydroxyphenylpyruvic oxidase inhibitor ChEBI p-hydroxyphenylpyruvic oxidase inhibitors ChEBI An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group. 0 C14H13NO7S InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 KPUREKXXPHOJQT-UHFFFAOYSA-N 339.32156 339.04127 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+]([O-])=O CAS:104206-82-8 PMID:11455642 PMID:20692682 PPDB:442 Patent:WO2011016018 Pesticides:mesotrione Reaxys:8999656 Wikipedia:Mesotrione 2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione chebi_ontology (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione 2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione 2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione Tenacity CHEBI:38321 mesotrione CAS:104206-82-8 ChemIDplus PMID:11455642 Europe PMC PMID:20692682 Europe PMC Pesticides:mesotrione Alan Wood's Pesticides Reaxys:8999656 Reaxys 2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione IUPAC (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione ChemIDplus 2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione ChEBI 2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione ChEBI 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione ChEBI Tenacity ChEBI Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. chebi_ontology cholinergic agent cholinergic drugs cholinomimetic CHEBI:38323 cholinergic drug cholinergic agent ChEBI cholinergic drugs ChEBI cholinomimetic ChEBI Any drug that binds to and activates cholinergic receptors. chebi_ontology acetylcholine agonist acetylcholine agonists acetylcholine receptor agonist cholinergic agonists cholinomimetic cholinomimetics CHEBI:38324 cholinergic agonist acetylcholine agonist ChEBI acetylcholine agonists ChEBI acetylcholine receptor agonist IUPHAR cholinergic agonists ChEBI cholinomimetic ChEBI cholinomimetics ChEBI Any drug that binds to and activates a muscarinic cholinergic receptor. chebi_ontology muscarinic acetylcholine receptor agonist muscarinic agonists muscarinic cholinergic agonist muscarinic cholinergic agonists CHEBI:38325 muscarinic agonist muscarinic acetylcholine receptor agonist ChEBI muscarinic agonists ChEBI muscarinic cholinergic agonist ChEBI muscarinic cholinergic agonists ChEBI chebi_ontology CHEBI:38329 oxazolidines 0 C3H6S2 106.212 105.99109 CHEBI:38078 CHEBI:38334 dithiolane chebi_ontology CHEBI:38335 dithiolane dithiolane IUPAC A pyrimidine carrying one or more oxo substituents. chebi_ontology pyrimidones CHEBI:38337 pyrimidone pyrimidones ChEBI A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. chebi_ontology aminopyrimidines CHEBI:38338 aminopyrimidine aminopyrimidines ChEBI chebi_ontology hydroxypyrimidines CHEBI:38340 hydroxypyrimidine hydroxypyrimidines ChEBI A hexenoic acid with the double bond at position 4. 0 C6H10O2 InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8) NIDHFQDUBOVBKZ-UHFFFAOYSA-N 114.14240 114.06808 [H]C(C)=CCCC(O)=O Beilstein:1720995 LIPID_MAPS_instance:LMFA01030010 hex-4-enoic acid chebi_ontology 4-hexenoic acid 4-hexenoic acids gamma-hexenoic acid gamma-hexenoic acids hex-4-enoic acids CHEBI:38355 hex-4-enoic acid Beilstein:1720995 Beilstein LIPID_MAPS_instance:LMFA01030010 LIPID MAPS hex-4-enoic acid IUPAC 4-hexenoic acid LIPID_MAPS 4-hexenoic acids ChEBI gamma-hexenoic acid LIPID_MAPS gamma-hexenoic acids ChEBI hex-4-enoic acids ChEBI A heptenoic acid with the double bond at position 6. 0 C7H12O2 InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9) RWNJOXUVHRXHSD-UHFFFAOYSA-N 128.16898 128.08373 OC(=O)CCCCC=C CAS:1119-60-4 LIPID_MAPS_instance:LMFA01030016 hept-6-enoic acid chebi_ontology 6-heptenoic acid 6-heptenoic acids epsilon-heptenoic acid epsilon-heptenoic acids hept-6-enoic acids CHEBI:38363 hept-6-enoic acid CAS:1119-60-4 ChemIDplus CAS:1119-60-4 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA01030016 LIPID MAPS hept-6-enoic acid IUPAC 6-heptenoic acid NIST_Chemistry_WebBook 6-heptenoic acids ChEBI epsilon-heptenoic acid LIPID_MAPS epsilon-heptenoic acids ChEBI hept-6-enoic acids ChEBI A fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines. 0 C9HF17O2 InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28) UZUFPBIDKMEQEQ-UHFFFAOYSA-N 464.07590 463.97051 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1897287 CAS:375-95-1 Gmelin:317302 PMID:17093205 PMID:23601780 PMID:24246240 PMID:24295853 Reaxys:1897287 Wikipedia:Perfluorononanoic_acid heptadecafluorononanoic acid perfluorononanoic acid chebi_ontology 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid Heptadecafluornonansaeure Heptadekafluornonansaeure PFNA Perfluornonansaeure perfluoro-n-nonanoic acid perfluorononan-1-oic acid CHEBI:38397 perfluorononanoic acid Beilstein:1897287 Beilstein CAS:375-95-1 ChemIDplus CAS:375-95-1 NIST Chemistry WebBook Gmelin:317302 Gmelin PMID:17093205 Europe PMC PMID:23601780 Europe PMC PMID:24246240 Europe PMC PMID:24295853 Europe PMC Reaxys:1897287 Reaxys heptadecafluorononanoic acid IUPAC perfluorononanoic acid NIST_Chemistry_WebBook 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid NIST_Chemistry_WebBook Heptadecafluornonansaeure ChEBI Heptadekafluornonansaeure ChEBI PFNA ChEBI Perfluornonansaeure ChEBI perfluoro-n-nonanoic acid ChemIDplus perfluorononan-1-oic acid ChemIDplus CHEBI:26949 CHEBI:38417 1,3-thiazoles chebi_ontology CHEBI:38418 1,3-thiazoles 1,3-thiazoles ChEBI chebi_ontology saturated organic heterobicyclic parents CHEBI:38419 saturated organic heterobicyclic parent saturated organic heterobicyclic parents ChEBI chebi_ontology 1-benzopyrans CHEBI:38443 1-benzopyran 1-benzopyrans ChEBI chebi_ontology chromenones CHEBI:38445 chromenone chromenones ChEBI A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively. 0 C22H28N2O3 InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25) QCAWEPFNJXQPAN-UHFFFAOYSA-N 368.46940 368.20999 COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C Beilstein:8435860 CAS:161050-58-4 KEGG:C18525 PPDB:461 Pesticides:methoxyfenozide Reaxys:8435860 N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide methoxyfenozide chebi_ontology 3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide CHEBI:38449 methoxyfenozide Beilstein:8435860 Beilstein CAS:161050-58-4 ChemIDplus CAS:161050-58-4 KEGG COMPOUND Pesticides:methoxyfenozide Alan Wood's Pesticides Reaxys:8435860 Reaxys N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide IUPAC methoxyfenozide ChemIDplus 3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide ChemIDplus N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide ChemIDplus N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide ChemIDplus A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars. 0 C22H28N2O2 InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25) QYPNKSZPJQQLRK-UHFFFAOYSA-N 352.47000 352.21508 CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C Beilstein:7822297 CAS:112410-23-8 KEGG:C18526 PMID:14745824 PMID:15759403 PMID:22730139 PMID:24121094 PPDB:611 Patent:CN103553255 Patent:CN103766364 Pesticides:tebufenozide Reaxys:7822297 Wikipedia:Tebufenozide N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide tebufenozide chebi_ontology 3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine CHEBI:38452 tebufenozide Beilstein:7822297 Beilstein CAS:112410-23-8 ChemIDplus CAS:112410-23-8 KEGG COMPOUND PMID:14745824 Europe PMC PMID:15759403 Europe PMC PMID:22730139 Europe PMC PMID:24121094 Europe PMC Pesticides:tebufenozide Alan Wood's Pesticides Reaxys:7822297 Reaxys N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide IUPAC tebufenozide ChemIDplus 3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide ChemIDplus N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine ChemIDplus 0 C14H12N2O2 InChI=1S/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18) GRRIYLZJLGTQJX-UHFFFAOYSA-N 240.25736 240.08988 O=C(NNC(=O)c1ccccc1)c1ccccc1 Beilstein:523810 CAS:787-84-8 Gmelin:281733 1,2-dibenzoylhydrazine N'-benzoylbenzohydrazide chebi_ontology C6H5-CO-NH-NH-CO-C6H5 N,N'-dibenzoylhydrazine benzoic acid, 2-benzoylhydrazide dibenzoylhydrazine CHEBI:38453 1,2-dibenzoylhydrazine Beilstein:523810 Beilstein CAS:787-84-8 ChemIDplus CAS:787-84-8 NIST Chemistry WebBook Gmelin:281733 Gmelin 1,2-dibenzoylhydrazine NIST_Chemistry_WebBook N'-benzoylbenzohydrazide IUPAC C6H5-CO-NH-NH-CO-C6H5 IUPAC N,N'-dibenzoylhydrazine NIST_Chemistry_WebBook benzoic acid, 2-benzoylhydrazide ChemIDplus dibenzoylhydrazine ChemIDplus 0 C7H8N2O InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10) WARCRYXKINZHGQ-UHFFFAOYSA-N 136.15130 136.06366 NNC(=O)c1ccccc1 Beilstein:471797 CAS:613-94-5 Gmelin:68991 benzohydrazide chebi_ontology C6H5-CO-NH-NH2 benzhydrazide benzoic acid, hydrazide benzoic hydrazide benzoylhydrazine CHEBI:38454 benzohydrazide Beilstein:471797 Beilstein CAS:613-94-5 ChemIDplus CAS:613-94-5 NIST Chemistry WebBook Gmelin:68991 Gmelin benzohydrazide IUPAC C6H5-CO-NH-NH2 IUPAC benzhydrazide NIST_Chemistry_WebBook benzoic acid, hydrazide NIST_Chemistry_WebBook benzoic hydrazide NIST_Chemistry_WebBook benzoylhydrazine ChemIDplus chebi_ontology bisacylhydrazine insecticides diacylhydrazine insecticides CHEBI:38455 bisacylhydrazine insecticide bisacylhydrazine insecticides ChEBI diacylhydrazine insecticides ChEBI chebi_ontology ecdysone agonists ecdysone mimetic CHEBI:38456 ecdysone agonist ecdysone agonists ChEBI ecdysone mimetic ChEBI 0 C18H20N2O2 InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21) NISLLQUWIJASOV-UHFFFAOYSA-N 296.36368 296.15248 CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1 Beilstein:4257030 CAS:112225-87-3 N'-benzoyl-N-(tert-butyl)benzohydrazide chebi_ontology N'-benzoyl-N-tert-butylbenzohydrazide RH 5849 benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide CHEBI:38457 N'-benzoyl-N-(tert-butyl)benzohydrazide Beilstein:4257030 Beilstein CAS:112225-87-3 ChemIDplus N'-benzoyl-N-(tert-butyl)benzohydrazide IUPAC N'-benzoyl-N-tert-butylbenzohydrazide IUPAC RH 5849 ChemIDplus benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide ChemIDplus Any member of the class of indolones whose structure is based on an oxindole (2-indolone) skeleton. chebi_ontology CHEBI:38459 oxindoles Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR(1)R(2), where ROH is an alcohol, oxime, or phenol and R(1) is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief. chebi_ontology carbamate insecticides CHEBI:38461 carbamate insecticide carbamate insecticides ChEBI An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Wikipedia:Acetylcholinesterase_inhibitor chebi_ontology AChEI AcCholE inhibitor AcCholE inhibitors EC 3.1.1.7 (acetylcholinesterase) inhibitors EC 3.1.1.7 inhibitor EC 3.1.1.7 inhibitors acetyl.beta-methylcholinesterase inhibitor acetyl.beta-methylcholinesterase inhibitors acetylcholine acetylhydrolase inhibitor acetylcholine acetylhydrolase inhibitors acetylcholine esterase inhibitor acetylcholine hydrolase inhibitor acetylcholine hydrolase inhibitors acetylcholinesterase (EC 3.1.1.7) inhibitor acetylcholinesterase (EC 3.1.1.7) inhibitors acetylcholinesterase inhibitor acetylcholinesterase inhibitors acetylthiocholinesterase inhibitor acetylthiocholinesterase inhibitors choline esterase I inhibitor choline esterase I inhibitors cholinesterase inhibitor cholinesterase inhibitors true cholinesterase inhibitor true cholinesterase inhibitors CHEBI:38462 EC 3.1.1.7 (acetylcholinesterase) inhibitor AChEI ChEBI AcCholE inhibitor ChEBI AcCholE inhibitors ChEBI EC 3.1.1.7 (acetylcholinesterase) inhibitors ChEBI EC 3.1.1.7 inhibitor ChEBI EC 3.1.1.7 inhibitors ChEBI acetyl.beta-methylcholinesterase inhibitor ChEBI acetyl.beta-methylcholinesterase inhibitors ChEBI acetylcholine acetylhydrolase inhibitor ChEBI acetylcholine acetylhydrolase inhibitors ChEBI acetylcholine esterase inhibitor ChEBI acetylcholine hydrolase inhibitor ChEBI acetylcholine hydrolase inhibitors ChEBI acetylcholinesterase (EC 3.1.1.7) inhibitor ChEBI acetylcholinesterase (EC 3.1.1.7) inhibitors ChEBI acetylcholinesterase inhibitor ChEBI acetylcholinesterase inhibitors ChEBI acetylthiocholinesterase inhibitor ChEBI acetylthiocholinesterase inhibitors ChEBI choline esterase I inhibitor ChEBI choline esterase I inhibitors ChEBI cholinesterase inhibitor ChEBI cholinesterase inhibitors ChEBI true cholinesterase inhibitor ChEBI true cholinesterase inhibitors ChEBI chebi_ontology indolyl alcohols CHEBI:38467 indolyl alcohol indolyl alcohols ChEBI chebi_ontology indol-3-yl carboxylic acid anions CHEBI:38468 indol-3-yl carboxylic acid anion indol-3-yl carboxylic acid anions ChEBI A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. 0 C2H3N InChI=1S/C2H3N/c1-2-3/h1H3 WEVYAHXRMPXWCK-UHFFFAOYSA-N 41.05196 41.02655 CC#N CHEBI:22185 CHEBI:30972 CHEBI:41432 Beilstein:741857 CAS:75-05-8 Gmelin:895 PDBeChem:CCN PMID:17347819 PMID:19100763 PMID:20370615 PMID:985423 PPDB:1349 Reaxys:741857 Wikipedia:Acetonitrile ACETONITRILE acetonitrile chebi_ontology CH3-C#N MeCN NCMe cyanomethane ethanenitrile methyl cyanide CHEBI:38472 acetonitrile Beilstein:741857 Beilstein CAS:75-05-8 ChemIDplus CAS:75-05-8 NIST Chemistry WebBook Gmelin:895 Gmelin PMID:17347819 Europe PMC PMID:19100763 Europe PMC PMID:20370615 Europe PMC PMID:985423 Europe PMC Reaxys:741857 Reaxys ACETONITRILE PDBeChem acetonitrile IUPAC CH3-C#N IUPAC MeCN IUPAC NCMe ChEBI cyanomethane NIST_Chemistry_WebBook ethanenitrile NIST_Chemistry_WebBook methyl cyanide IUPAC chebi_ontology alkaloid esters CHEBI:38481 alkaloid ester alkaloid esters ChEBI chebi_ontology indole alkaloid fundamental parents CHEBI:38482 indole alkaloid fundamental parent indole alkaloid fundamental parents ChEBI chebi_ontology benzoylurea insecticides CHEBI:38494 benzoylurea insecticide benzoylurea insecticides ChEBI 0 AlP InChI=1S/Al.P/q+3;-3 PGCGUUGEUBFBPP-UHFFFAOYSA-N 57.95530 57.95530 [Al+3].[P-3] CAS:20859-73-8 Gmelin:37808 aluminium phosphide chebi_ontology aluminum monophosphide aluminum phosphide CHEBI:38495 aluminium phosphide CAS:20859-73-8 ChemIDplus CAS:20859-73-8 NIST Chemistry WebBook Gmelin:37808 Gmelin aluminium phosphide IUPAC aluminum monophosphide NIST_Chemistry_WebBook aluminum phosphide ChemIDplus chebi_ontology CHEBI:38496 electron-transport chain inhibitor chebi_ontology CHEBI:38497 respiratory-chain inhibitor chebi_ontology mitochondrial NADH dehydrogenase inhibitor mitochondrial complex I inhibitor mitochondrial complex I inhibitors CHEBI:38498 mitochondrial NADH:ubiquinone reductase inhibitor mitochondrial NADH dehydrogenase inhibitor ChEBI mitochondrial complex I inhibitor ChEBI mitochondrial complex I inhibitors ChEBI chebi_ontology mitochondrial complex III inhibitor mitochondrial complex III inhibitors CHEBI:38499 mitochondrial cytochrome-bc1 complex inhibitor mitochondrial complex III inhibitor ChEBI mitochondrial complex III inhibitors ChEBI An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1). CHEBI:38501 CHEBI:62966 PMID:12969439 Wikipedia:Cytochrome_c_oxidase chebi_ontology CcO inhibitor EC 1.9.3.1 (cytochrome c oxidase) inhibitors EC 1.9.3.1 inhibitor EC 1.9.3.1 inhibitors NADH cytochrome c oxidase inhibitor NADH cytochrome c oxidase inhibitors Warburg's respiratory enzyme inhibitor Warburg's respiratory enzyme inhibitors complex IV (mitochondrial electron transport) inhibitor complex IV (mitochondrial electron transport) inhibitors cytochrome a3 inhibitor cytochrome a3 inhibitors cytochrome aa3 inhibitor cytochrome aa3 inhibitors cytochrome c oxidase (EC 1.9.3.1) inhibitor cytochrome c oxidase (EC 1.9.3.1) inhibitors cytochrome c oxidase inhibitor cytochrome c oxidase inhibitors cytochrome oxidase inhibitor cytochrome oxidase inhibitors cytochrome-c oxidase inhibitor cytochrome-c oxidase inhibitors ferrocytochrome c oxidase inhibitor ferrocytochrome c oxidase inhibitors ferrocytochrome-c:oxygen oxidoreductase inhibitor ferrocytochrome-c:oxygen oxidoreductase inhibitors indophenol oxidase inhibitor indophenol oxidase inhibitors indophenolase inhibitor indophenolase inhibitors mitochondrial complex IV inhibitor mitochondrial complex IV inhibitors mitochondrial cytochrome-c oxidase inhibitors CHEBI:38500 EC 1.9.3.1 (cytochrome c oxidase) inhibitor PMID:12969439 Europe PMC CcO inhibitor ChEBI EC 1.9.3.1 (cytochrome c oxidase) inhibitors ChEBI EC 1.9.3.1 inhibitor ChEBI EC 1.9.3.1 inhibitors ChEBI NADH cytochrome c oxidase inhibitor ChEBI NADH cytochrome c oxidase inhibitors ChEBI Warburg's respiratory enzyme inhibitor ChEBI Warburg's respiratory enzyme inhibitors ChEBI complex IV (mitochondrial electron transport) inhibitor ChEBI complex IV (mitochondrial electron transport) inhibitors ChEBI cytochrome a3 inhibitor ChEBI cytochrome a3 inhibitors ChEBI cytochrome aa3 inhibitor ChEBI cytochrome aa3 inhibitors ChEBI cytochrome c oxidase (EC 1.9.3.1) inhibitor ChEBI cytochrome c oxidase (EC 1.9.3.1) inhibitors ChEBI cytochrome c oxidase inhibitor ChEBI cytochrome c oxidase inhibitors ChEBI cytochrome oxidase inhibitor ChEBI cytochrome oxidase inhibitors ChEBI cytochrome-c oxidase inhibitor ChEBI cytochrome-c oxidase inhibitors ChEBI ferrocytochrome c oxidase inhibitor ChEBI ferrocytochrome c oxidase inhibitors ChEBI ferrocytochrome-c:oxygen oxidoreductase inhibitor ChEBI ferrocytochrome-c:oxygen oxidoreductase inhibitors ChEBI indophenol oxidase inhibitor ChEBI indophenol oxidase inhibitors ChEBI indophenolase inhibitor ChEBI indophenolase inhibitors ChEBI mitochondrial complex IV inhibitor ChEBI mitochondrial complex IV inhibitors ChEBI mitochondrial cytochrome-c oxidase inhibitors ChEBI chebi_ontology CHEBI:38502 cytochrome-bc1 complex inhibitor A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H(+)-translocating), EC 1.6.5.3. Wikipedia:NADH_dehydrogenase_(ubiquinone) chebi_ontology DPNH-coenzyme Q reductase inhibitor DPNH-ubiquinone reductase inhibitor EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors EC 1.6.5.3 inhibitor EC 1.6.5.3 inhibitors NADH coenzyme Q1 reductase inhibitor NADH coenzyme Q1 reductase inhibitors NADH dehydrogenase (ubiquinone) inhibitor NADH dehydrogenase (ubiquinone) inhibitors NADH-CoQ oxidoreductase inhibitor NADH-CoQ oxidoreductase inhibitors NADH-CoQ reductase inhibitor NADH-CoQ reductase inhibitors NADH-Q6 oxidoreductase inhibitor NADH-coenzyme Q oxidoreductase inhibitors NADH-coenzyme Q reductase inhibitor NADH-coenzyme Q reductase inhibitors NADH-ubiquinone oxidoreductase inhibitor NADH-ubiquinone oxidoreductase inhibitors NADH-ubiquinone reductase inhibitor NADH-ubiquinone reductase inhibitors NADH-ubiquinone-1 reductase inhibitor NADH-ubiquinone-1 reductase inhibitors NADH2 dehydrogenase (ubiquinone) inhibitor NADH:ubiquinone oxidoreductase complex inhibitor NADH:ubiquinone oxidoreductase inhibitor NADH:ubiquinone oxidoreductase inhibitors NADH:ubiquinone reductase (H(+)-translocating) inhibitor NADH:ubiquinone reductase (H(+)-translocating) inhibitors NADH:ubiquinone reductase (H+-translocating) inhibitor NADH:ubiquinone reductase inhibitor coenzyme Q reductase complex 1 dehydrogenase inhibitor complex I (NADH:Q1 oxidoreductase) inhibitors complex I (electron transport chain) inhibitors complex I (mitochondrial electron transport) inhibitors dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor electron transfer complex I inhibitor electron transfer complex I inhibitors mitochondrial electron transport complex 1 inhibitor mitochondrial electron transport complex I inhibitor mitochondrial electron transport complex I inhibitors reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors type 1 dehydrogenase inhibitor type 1 dehydrogenase inhibitors ubiquinone reductase inhibitor ubiquinone reductase inhibitors CHEBI:38503 EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor DPNH-coenzyme Q reductase inhibitor ChEBI DPNH-ubiquinone reductase inhibitor ChEBI EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor ChEBI EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors ChEBI EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors ChEBI EC 1.6.5.3 inhibitor ChEBI EC 1.6.5.3 inhibitors ChEBI NADH coenzyme Q1 reductase inhibitor ChEBI NADH coenzyme Q1 reductase inhibitors ChEBI NADH dehydrogenase (ubiquinone) inhibitor ChEBI NADH dehydrogenase (ubiquinone) inhibitors ChEBI NADH-CoQ oxidoreductase inhibitor ChEBI NADH-CoQ oxidoreductase inhibitors ChEBI NADH-CoQ reductase inhibitor ChEBI NADH-CoQ reductase inhibitors ChEBI NADH-Q6 oxidoreductase inhibitor ChEBI NADH-coenzyme Q oxidoreductase inhibitors ChEBI NADH-coenzyme Q reductase inhibitor ChEBI NADH-coenzyme Q reductase inhibitors ChEBI NADH-ubiquinone oxidoreductase inhibitor ChEBI NADH-ubiquinone oxidoreductase inhibitors ChEBI NADH-ubiquinone reductase inhibitor ChEBI NADH-ubiquinone reductase inhibitors ChEBI NADH-ubiquinone-1 reductase inhibitor ChEBI NADH-ubiquinone-1 reductase inhibitors ChEBI NADH2 dehydrogenase (ubiquinone) inhibitor ChEBI NADH:ubiquinone oxidoreductase complex inhibitor ChEBI NADH:ubiquinone oxidoreductase inhibitor ChEBI NADH:ubiquinone oxidoreductase inhibitors ChEBI NADH:ubiquinone reductase (H(+)-translocating) inhibitor ChEBI NADH:ubiquinone reductase (H(+)-translocating) inhibitors ChEBI NADH:ubiquinone reductase (H+-translocating) inhibitor ChEBI NADH:ubiquinone reductase inhibitor ChEBI coenzyme Q reductase ChEBI complex 1 dehydrogenase inhibitor ChEBI complex I (NADH:Q1 oxidoreductase) inhibitors ChEBI complex I (electron transport chain) inhibitors ChEBI complex I (mitochondrial electron transport) inhibitors ChEBI dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor ChEBI electron transfer complex I inhibitor ChEBI electron transfer complex I inhibitors ChEBI mitochondrial electron transport complex 1 inhibitor ChEBI mitochondrial electron transport complex I inhibitor ChEBI mitochondrial electron transport complex I inhibitors ChEBI reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor ChEBI reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors ChEBI type 1 dehydrogenase inhibitor ChEBI type 1 dehydrogenase inhibitors ChEBI ubiquinone reductase inhibitor ChEBI ubiquinone reductase inhibitors ChEBI A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid. 0 C11H15NO2S InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N 225.30834 225.08235 CNC(=O)Oc1cc(C)c(SC)c(C)c1 Beilstein:1881431 CAS:2032-65-7 KEGG:C18651 PMID:19270930 PMID:22623520 PMID:24380738 PMID:9197969 PPDB:457 Pesticides:methiocarb Reaxys:1881431 Wikipedia:Methiocarb 3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate chebi_ontology 3,5-Dimethyl-4-(methylthio)phenol methylcarbamate 3,5-Dimethyl-4-(methylthio)phenyl methylcarbamate 3,5-Dimethyl-4-methylthiophenyl N-methylcarbamate 4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamate 4-Methylmercapto-3,5-xylyl methylcarbamate 4-Methylthio-3,5-dimethylphenyl methylcarbamate 4-Methylthio-3,5-xylyl methylcarbamate mesurol CHEBI:38508 methiocarb Beilstein:1881431 Beilstein CAS:2032-65-7 ChemIDplus CAS:2032-65-7 KEGG COMPOUND CAS:2032-65-7 NIST Chemistry WebBook PMID:19270930 Europe PMC PMID:22623520 Europe PMC PMID:24380738 Europe PMC PMID:9197969 Europe PMC Pesticides:methiocarb Alan Wood's Pesticides Reaxys:1881431 Reaxys 3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate IUPAC 3,5-Dimethyl-4-(methylthio)phenol methylcarbamate ChemIDplus 3,5-Dimethyl-4-(methylthio)phenyl methylcarbamate ChemIDplus 3,5-Dimethyl-4-methylthiophenyl N-methylcarbamate ChemIDplus 4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamate ChemIDplus 4-Methylmercapto-3,5-xylyl methylcarbamate ChemIDplus 4-Methylthio-3,5-dimethylphenyl methylcarbamate ChemIDplus 4-Methylthio-3,5-xylyl methylcarbamate NIST_Chemistry_WebBook mesurol ChEBI 0 C9H12OS InChI=1S/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3 JGFZITGNFAVSKU-UHFFFAOYSA-N 168.25698 168.06089 CSc1c(C)cc(O)cc1C CAS:7379-51-3 3,5-dimethyl-4-(methylsulfanyl)phenol chebi_ontology 3,5-Dimethyl-4-(methylthio)phenol 4-(Methylthio)-3,5-dimethylphenol 4-(Methylthio)-3,5-xylenol 4-Methylthio-3,5-xylenol CHEBI:38509 3,5-dimethyl-4-(methylsulfanyl)phenol CAS:7379-51-3 ChemIDplus 3,5-dimethyl-4-(methylsulfanyl)phenol IUPAC 3,5-Dimethyl-4-(methylthio)phenol ChemIDplus 4-(Methylthio)-3,5-dimethylphenol ChemIDplus 4-(Methylthio)-3,5-xylenol ChemIDplus 4-Methylthio-3,5-xylenol ChemIDplus chebi_ontology quinoline alkaloid fundamental parents CHEBI:38514 quinoline alkaloid fundamental parent quinoline alkaloid fundamental parents ChEBI chebi_ontology isoquinoline alkaloid fundamental parents CHEBI:38515 isoquinoline alkaloid fundamental parent isoquinoline alkaloid fundamental parents ChEBI Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. chebi_ontology CHEBI:38530 quinazolines Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues). hydrazones chebi_ontology hydrazones CHEBI:38532 hydrazone hydrazones IUPAC hydrazones ChEBI 0 C3H7NOS InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3 TYEVWCPZVQACAE-UHFFFAOYSA-N 105.15982 105.02484 CSC(C)=NO Beilstein:1901214 CAS:13749-94-5 methyl N-hydroxyethanimidothioate chebi_ontology 1-(Methylthio)acetaldehyde oxime 1-(Methylthio)acetaldoxime Methomyl oxime Methyl N-hydroxyacetimidothioate Methyl N-hydroxyethanimidothioate Methyl thioacetohydroxamate CHEBI:38534 1-(methylsulfanyl)acetaldoxime Beilstein:1901214 Beilstein CAS:13749-94-5 ChemIDplus methyl N-hydroxyethanimidothioate IUPAC 1-(Methylthio)acetaldehyde oxime ChemIDplus 1-(Methylthio)acetaldoxime ChemIDplus Methomyl oxime ChemIDplus Methyl N-hydroxyacetimidothioate ChemIDplus Methyl N-hydroxyethanimidothioate ChemIDplus Methyl thioacetohydroxamate ChemIDplus An amino acid consisting of carbamic acid having two methyl substituents both attached to the nitrogen. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6) DWLVWMUCHSLGSU-UHFFFAOYSA-N 89.09322 89.04768 CN(C)C(O)=O Beilstein:1920740 CAS:7260-94-8 Reaxys:1920740 dimethylcarbamic acid chebi_ontology N,N-dimethylcarbamic acid CHEBI:38544 dimethylcarbamic acid Beilstein:1920740 Beilstein CAS:7260-94-8 ChemIDplus Reaxys:1920740 Reaxys dimethylcarbamic acid IUPAC N,N-dimethylcarbamic acid ChEBI A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). 0 C22H28FN3O6S InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 BPRHUIZQVSMCRT-VEUZHWNKSA-N 481.53800 481.16828 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O Beilstein:9670765 CAS:287714-41-4 DrugBank:DB01098 Drug_Central:2406 HMDB:HMDB0015230 KEGG:D08492 PMID:17970755 PMID:18509206 PMID:19724024 PMID:19956889 PMID:23806820 PMID:23881596 PMID:23944632 PMID:24072337 PMID:24076283 PMID:24076297 PMID:24156555 PMID:24163149 PMID:24230979 PMID:24253250 PMID:24259612 PMID:24304551 PMID:24333476 PMID:24353409 PMID:24410968 PMID:24417785 PMID:24434545 PMID:24440231 PMID:24440960 PMID:24444439 PMID:24452083 PMID:24456217 PMID:24467235 Patent:US2013035316 Reaxys:9670765 Wikipedia:Rosuvastatin (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid chebi_ontology (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid rosuvastatin CHEBI:38545 rosuvastatin Beilstein:9670765 Beilstein CAS:287714-41-4 ChemIDplus Drug_Central:2406 DrugCentral PMID:17970755 Europe PMC PMID:18509206 Europe PMC PMID:19724024 Europe PMC PMID:19956889 Europe PMC PMID:23806820 Europe PMC PMID:23881596 Europe PMC PMID:23944632 Europe PMC PMID:24072337 Europe PMC PMID:24076283 Europe PMC PMID:24076297 Europe PMC PMID:24156555 Europe PMC PMID:24163149 Europe PMC PMID:24230979 Europe PMC PMID:24253250 Europe PMC PMID:24259612 Europe PMC PMID:24304551 Europe PMC PMID:24333476 Europe PMC PMID:24353409 Europe PMC PMID:24410968 Europe PMC PMID:24417785 Europe PMC PMID:24434545 Europe PMC PMID:24440231 Europe PMC PMID:24440960 Europe PMC PMID:24444439 Europe PMC PMID:24452083 Europe PMC PMID:24456217 Europe PMC PMID:24467235 Europe PMC Reaxys:9670765 Reaxys (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid IUPAC (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid ChemIDplus (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid IUPAC rosuvastatin KEGG_DRUG 0 C9H12O2 InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3 ZNCUUYCDKVNVJH-UHFFFAOYSA-N 152.19038 152.08373 CC(C)Oc1ccccc1O Beilstein:1937063 CAS:4812-20-8 2-(propan-2-yloxy)phenol 2-isopropoxyphenol chebi_ontology 2-(1-methylethoxy)phenol o-Isopropoxyphenol CHEBI:38547 2-isopropoxyphenol Beilstein:1937063 Beilstein CAS:4812-20-8 ChemIDplus 2-(propan-2-yloxy)phenol IUPAC 2-isopropoxyphenol UniProt 2-(1-methylethoxy)phenol IUPAC o-Isopropoxyphenol ChemIDplus 0 C10H18N4O4S3 InChI=1S/C8H14N4O4S3/c1-5(17-3)9-15-7(13)11-19-12-8(14)16-10-6(2)18-4/h1-4H3,(H,11,13)(H,12,14) BAKXBZPQTXCKRR-UHFFFAOYSA-N 326.41932 326.01772 CSC(C)=NOC(=O)NSNC(=O)ON=C(C)SC Beilstein:2015026 CAS:59669-26-0 KEGG:C18423 dimethyl N,N'-[sulfanediylbis(carbamoyloxy)]diethanimidothioate chebi_ontology Bismethomyl thioether N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester CHEBI:38548 thiodicarb Beilstein:2015026 Beilstein CAS:59669-26-0 ChemIDplus CAS:59669-26-0 KEGG COMPOUND dimethyl N,N'-[sulfanediylbis(carbamoyloxy)]diethanimidothioate IUPAC Bismethomyl thioether ChemIDplus N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester ChemIDplus chebi_ontology simple proteins CHEBI:38560 simple protein simple proteins ChEBI 0 C9H12O InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3 OGRAOKJKVGDSFR-UHFFFAOYSA-N 136.19098 136.08882 Cc1cc(C)c(C)c(O)c1 Beilstein:2042210 CAS:697-82-5 2,3,5-trimethylphenol chebi_ontology 1-Hydroxy-2,3,5-trimethylbenzene Isopseudocumenol CHEBI:38570 2,3,5-trimethylphenol Beilstein:2042210 Beilstein CAS:697-82-5 ChemIDplus CAS:697-82-5 NIST Chemistry WebBook 2,3,5-trimethylphenol IUPAC 1-Hydroxy-2,3,5-trimethylbenzene ChemIDplus Isopseudocumenol ChemIDplus Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms. difluorobenzene chebi_ontology Difluorbenzol difluorobenzenes CHEBI:38582 difluorobenzene difluorobenzene IUPAC Difluorbenzol ChEBI difluorobenzenes ChEBI A difluorobenzene carrying fluoro groups at positions 1 and 3. 0 C6H4F2 InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H UEMGWPRHOOEKTA-UHFFFAOYSA-N 114.09277 114.02811 Fc1cccc(F)c1 Beilstein:1904537 CAS:372-18-9 Gmelin:200891 PMID:15535712 PMID:22707282 Patent:CN101607874 Patent:CN1634895 Patent:CN1765887 Reaxys:1904537 1,3-difluorobenzene chebi_ontology 1,3-Difluorbenzol m-difluorobenzene meta-difluorobenzene CHEBI:38584 1,3-difluorobenzene Beilstein:1904537 Beilstein CAS:372-18-9 ChemIDplus CAS:372-18-9 NIST Chemistry WebBook Gmelin:200891 Gmelin PMID:15535712 Europe PMC PMID:22707282 Europe PMC Reaxys:1904537 Reaxys 1,3-difluorobenzene IUPAC 1,3-Difluorbenzol ChEBI m-difluorobenzene ChemIDplus meta-difluorobenzene NIST_Chemistry_WebBook 0 C7H5N3 InChI=1S/C7H5N3/c1-2-4-7-6(3-1)5-8-10-9-7/h1-5H OWQPOVKKUWUEKE-UHFFFAOYSA-N 131.13482 131.04835 c1ccc2nnncc2c1 Beilstein:606374 1,2,3-benzotriazine chebi_ontology CHEBI:38586 1,2,3-benzotriazine Beilstein:606374 Beilstein 1,2,3-benzotriazine IUPAC 0 C3H4N2 InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,3H2 DEEPVUMBLJVOEL-UHFFFAOYSA-N 68.07734 68.03745 C1C=CN=N1 Beilstein:506329 3H-pyrazole chebi_ontology 3H-Pyrazol CHEBI:38595 3H-pyrazole Beilstein:506329 Beilstein 3H-pyrazole IUPAC 3H-Pyrazol ChEBI An organic anion with formula C3H3N2 resulting from the removal of a proton from 1H, 3H, or 4H-pyrazole. 0 C3H3N2 67.069 67.02962 pyrazolide chebi_ontology CHEBI:38596 pyrazolide pyrazolide IUPAC 0 C2H3N3 69.065 69.03270 triazole chebi_ontology CHEBI:38597 triazole triazole IUPAC 0 C3H4N2 InChI=1S/C3H4N2/c1-2-4-5-3-1/h2-3H,1H2 NILYRCYRBPDITI-UHFFFAOYSA-N 68.07734 68.03745 C1C=NN=C1 Beilstein:5860011 Gmelin:2355958 4H-pyrazole chebi_ontology 4H-Pyrazol CHEBI:38599 4H-pyrazole Beilstein:5860011 Beilstein Gmelin:2355958 Gmelin 4H-pyrazole IUPAC 4H-Pyrazol ChEBI -1 C3H3N2 InChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1 LBLQPCAYBXWESC-UHFFFAOYSA-N 67.06940 67.03017 c1[cH-]cnn1 Beilstein:5493743 4H-pyrazol-4-ide chebi_ontology CHEBI:38600 4H-pyrazol-4-ide Beilstein:5493743 Beilstein 4H-pyrazol-4-ide IUPAC chebi_ontology phenethylamine alkaloids CHEBI:38605 phenethylamine alkaloid phenethylamine alkaloids ChEBI An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4). Wikipedia:Monoamine_oxidase_inhibitor chebi_ontology EC 1.4.3.4 (monoamine oxidase) inhibitors EC 1.4.3.4 inhibitor EC 1.4.3.4 inhibitors MAO A inhibitor MAO A inhibitors MAO B inhibitor MAO B inhibitors MAO inhibitor MAO inhibitors MAO-A inhibitor MAO-A inhibitors MAO-B inhibitor MAO-B inhibitors adrenalin oxidase inhibitor adrenalin oxidase inhibitors adrenaline oxidase inhibitor adrenaline oxidase inhibitors amine oxidase (flavin-containing) inhibitor amine oxidase (flavin-containing) inhibitors amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors amine:oxygen oxidoreductase (deaminating) inhibitor amine:oxygen oxidoreductase (deaminating) inhibitors epinephrine oxidase inhibitor epinephrine oxidase inhibitors monoamine oxidase (EC 1.4.3.4) inhibitor monoamine oxidase (EC 1.4.3.4) inhibitors monoamine oxidase A inhibitor monoamine oxidase A inhibitors monoamine oxidase B inhibitor monoamine oxidase B inhibitors monoamine oxidase inhibitor monoamine oxidase inhibitors monoamine:O2 oxidoreductase (deaminating) inhibitor monoamine:O2 oxidoreductase (deaminating) inhibitors serotonin deaminase inhibitor serotonin deaminase inhibitors tyraminase inhibitor tyraminase inhibitors tyramine oxidase inhibitor tyramine oxidase inhibitors CHEBI:38623 EC 1.4.3.4 (monoamine oxidase) inhibitor EC 1.4.3.4 (monoamine oxidase) inhibitors ChEBI EC 1.4.3.4 inhibitor ChEBI EC 1.4.3.4 inhibitors ChEBI MAO A inhibitor ChEBI MAO A inhibitors ChEBI MAO B inhibitor ChEBI MAO B inhibitors ChEBI MAO inhibitor ChEBI MAO inhibitors ChEBI MAO-A inhibitor ChEBI MAO-A inhibitors ChEBI MAO-B inhibitor ChEBI MAO-B inhibitors ChEBI adrenalin oxidase inhibitor ChEBI adrenalin oxidase inhibitors ChEBI adrenaline oxidase inhibitor ChEBI adrenaline oxidase inhibitors ChEBI amine oxidase (flavin-containing) inhibitor ChEBI amine oxidase (flavin-containing) inhibitors ChEBI amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor ChEBI amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors ChEBI amine:oxygen oxidoreductase (deaminating) inhibitor ChEBI amine:oxygen oxidoreductase (deaminating) inhibitors ChEBI epinephrine oxidase inhibitor ChEBI epinephrine oxidase inhibitors ChEBI monoamine oxidase (EC 1.4.3.4) inhibitor ChEBI monoamine oxidase (EC 1.4.3.4) inhibitors ChEBI monoamine oxidase A inhibitor ChEBI monoamine oxidase A inhibitors ChEBI monoamine oxidase B inhibitor ChEBI monoamine oxidase B inhibitors ChEBI monoamine oxidase inhibitor ChEBI monoamine oxidase inhibitors ChEBI monoamine:O2 oxidoreductase (deaminating) inhibitor ChEBI monoamine:O2 oxidoreductase (deaminating) inhibitors ChEBI serotonin deaminase inhibitor ChEBI serotonin deaminase inhibitors ChEBI tyraminase inhibitor ChEBI tyraminase inhibitors ChEBI tyramine oxidase inhibitor ChEBI tyramine oxidase inhibitors ChEBI A hydroxypyrimidine that is pyrimidine substituted by an isopropyl group at position 2, a methyl group at position 6 and a hydroxy group at position 4. 0 C8H12N2O InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11) AJPIUNPJBFBUKK-UHFFFAOYSA-N 152.19376 152.09496 CC(C)c1nc(C)cc(O)n1 Beilstein:742884 PMID:16436313 Reaxys:742884 6-methyl-2-(propan-2-yl)pyrimidin-4-ol chebi_ontology 6-methyl-2-(1-methylethyl)pyrimidin-4-ol CHEBI:38629 2-isopropyl-6-methylpyrimidin-4-ol Beilstein:742884 Beilstein PMID:16436313 Europe PMC Reaxys:742884 Reaxys 6-methyl-2-(propan-2-yl)pyrimidin-4-ol IUPAC 6-methyl-2-(1-methylethyl)pyrimidin-4-ol IUPAC CHEBI:22503 CHEBI:24792 chebi_ontology aminoalkylindoles CHEBI:38631 aminoalkylindole aminoalkylindoles ChEBI Any agent that affects the transport of molecular entities across a biological membrane. chebi_ontology membrane transport modulators CHEBI:38632 membrane transport modulator membrane transport modulators ChEBI An agent that inhibits sodium influx through cell membranes. chebi_ontology Na channel blocker sodium channel blockers CHEBI:38633 sodium channel blocker Na channel blocker ChEBI sodium channel blockers ChEBI Any sodium channel blocker that interferes with the activity of voltage-gated sodium channels. chebi_ontology Nav channel blocker Nav channel blockers voltage-dependent sodium channel blockers CHEBI:38634 voltage-gated sodium channel blocker Nav channel blocker ChEBI Nav channel blockers ChEBI voltage-dependent sodium channel blockers ChEBI Any protein kinase inhibitor that interferes with the action of tyrosine kinase. Wikipedia:Tyrosine-kinase_inhibitor chebi_ontology TKI inhibitor TKI inhibitors protein tyrosine kinase inhibitor protein tyrosine kinase inhibitors tyrosine kinase inhibitors tyrphostin tyrphostins CHEBI:38637 tyrosine kinase inhibitor TKI inhibitor ChEBI TKI inhibitors ChEBI protein tyrosine kinase inhibitor ChEBI protein tyrosine kinase inhibitors ChEBI tyrosine kinase inhibitors ChEBI tyrphostin ChEBI tyrphostins ChEBI 0 C9H12 120.192 120.09390 CAS:25551-13-7 trimethylbenzene chebi_ontology methylxylene trimethyl benzene trimethylbenzenes CHEBI:38641 trimethylbenzene CAS:25551-13-7 ChemIDplus trimethylbenzene IUPAC methylxylene ChemIDplus trimethyl benzene ChemIDplus trimethylbenzenes ChemIDplus A methyl-branched fatty acid comprising a butyric acid core carrying a single methyl substituent. 0 C5H10O2 102.132 102.06808 PMID:13105653 methylbutanoic acid chebi_ontology CHEBI:38653 methylbutyric acid PMID:13105653 Europe PMC methylbutanoic acid IUPAC The (S)-enantiomer of 2-methylbutanoic acid. 0 C5H10O2 InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 WLAMNBDJUVNPJU-BYPYZUCNSA-N 102.13170 102.06808 CC[C@H](C)C(O)=O Beilstein:1720485 Beilstein:3648078 CAS:1730-91-2 Gmelin:532948 PMID:2026560 (2S)-2-methylbutanoic acid chebi_ontology (S)-2-methylbutanoic acid (S)-alpha-methylbutanoic acid CHEBI:38655 (S)-2-methylbutyric acid Beilstein:1720485 Beilstein Beilstein:3648078 Beilstein CAS:1730-91-2 ChemIDplus CAS:1730-91-2 NIST Chemistry WebBook Gmelin:532948 Gmelin PMID:2026560 Europe PMC (2S)-2-methylbutanoic acid IUPAC (S)-2-methylbutanoic acid NIST_Chemistry_WebBook (S)-alpha-methylbutanoic acid ChEBI Any organochlorine compound that has been used as a pesticide. chebi_ontology Chlororganische Pestizide Organochlorpestizid organochloride pesticide organochloride pesticides organochlorine pesticides CHEBI:38656 organochlorine pesticide Chlororganische Pestizide ChEBI Organochlorpestizid ChEBI organochloride pesticide ChEBI organochloride pesticides ChEBI organochlorine pesticides ChEBI Any organochlorine pesticide that has been used as an acaricide. chebi_ontology chlororganische Akarizide organochloride acaricide organochloride acaricides organochlorine acaricides CHEBI:38657 organochlorine acaricide chlororganische Akarizide ChEBI organochloride acaricide ChEBI organochloride acaricides ChEBI organochlorine acaricides ChEBI 0 C8H16NO5P InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+ VEENJGZXVHKXNB-VOTSOKGWSA-N 237.19014 237.07661 COP(=O)(OC)O\C(C)=C\C(=O)N(C)C Beilstein:1880084 CAS:141-66-2 KEGG:C18656 PPDB:224 (1E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate chebi_ontology (E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate (E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester 3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide 3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide Bidrin Dimethyl (E)-2-dimethyl-carbamoyl-1-methylvinyl phosphate CHEBI:38658 dicrotophos Beilstein:1880084 Beilstein CAS:141-66-2 ChemIDplus CAS:141-66-2 KEGG COMPOUND CAS:141-66-2 NIST Chemistry WebBook (1E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate IUPAC (E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate ChemIDplus (E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester ChemIDplus 3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide ChemIDplus 3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide ChemIDplus Bidrin ChemIDplus Dimethyl (E)-2-dimethyl-carbamoyl-1-methylvinyl phosphate ChemIDplus An organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate. 0 C8H19O2PS3 InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3 DOFZAZXDOSGAJZ-UHFFFAOYSA-N 274.40702 274.02848 CCOP(=S)(OCC)SCCSCC Beilstein:1709167 CAS:298-04-4 KEGG:C18400 PMID:15294458 PMID:22818267 PMID:22968680 PMID:23303564 Reaxys:1709167 Wikipedia:Disulfoton O,O-diethyl S-[2-(ethylsulfanyl)ethyl] dithiophosphate chebi_ontology Ethylthiometon O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate Phosphorodithioic acid, O,O-diethyl S-(2-(ethylthio)ethyl) ester S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl dithiophosphate CHEBI:38661 disulfoton Beilstein:1709167 Beilstein CAS:298-04-4 ChemIDplus CAS:298-04-4 KEGG COMPOUND CAS:298-04-4 NIST Chemistry WebBook PMID:15294458 Europe PMC PMID:22818267 Europe PMC PMID:22968680 Europe PMC PMID:23303564 Europe PMC Reaxys:1709167 Reaxys O,O-diethyl S-[2-(ethylsulfanyl)ethyl] dithiophosphate IUPAC Ethylthiometon KEGG_COMPOUND O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate ChemIDplus O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate ChemIDplus Phosphorodithioic acid, O,O-diethyl S-(2-(ethylthio)ethyl) ester ChemIDplus S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl dithiophosphate IUPAC An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7). 0 C9H22O4P2S4 InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 RIZMRRKBZQXFOY-UHFFFAOYSA-N 384.48010 383.98762 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Beilstein:1804530 CAS:563-12-2 KEGG:C18725 PMID:21366965 PMID:21560835 PMID:23127602 PMID:24398360 PMID:24401442 PPDB:276 Reaxys:1804530 Wikipedia:Ethion O,O,O',O'-tetraethyl S,S'-methanediyl bis(phosphorodithioate) chebi_ontology Bis(S-(diethoxyphosphinothioyl)mercapto)methane O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate) O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate) S,S'-Methylene bis(O,O-diethyl phosphorodithioate) CHEBI:38663 ethion Beilstein:1804530 Beilstein CAS:563-12-2 ChemIDplus CAS:563-12-2 KEGG COMPOUND CAS:563-12-2 NIST Chemistry WebBook PMID:21366965 Europe PMC PMID:21560835 Europe PMC PMID:23127602 Europe PMC PMID:24398360 Europe PMC PMID:24401442 Europe PMC Reaxys:1804530 Reaxys O,O,O',O'-tetraethyl S,S'-methanediyl bis(phosphorodithioate) IUPAC Bis(S-(diethoxyphosphinothioyl)mercapto)methane ChemIDplus O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate) ChemIDplus O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate) IUPAC S,S'-Methylene bis(O,O-diethyl phosphorodithioate) ChemIDplus 0 C8H19O2PS2 InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3 VJYFKVYYMZPMAB-UHFFFAOYSA-N 242.34102 242.05641 CCCSP(=O)(OCC)SCCC Beilstein:8139788 CAS:13194-48-4 KEGG:C18687 LINCS:LSM-2169 PPDB:279 O-ethyl S,S-dipropyl phosphorodithioate chebi_ontology Ethoprop O-ethyl S,S-dipropyl dithiophosphate Phosphorodithioic acid, O-ethyl S,S-dipropyl ester CHEBI:38665 ethoprophos Beilstein:8139788 Beilstein CAS:13194-48-4 ChemIDplus CAS:13194-48-4 KEGG COMPOUND CAS:13194-48-4 NIST Chemistry WebBook O-ethyl S,S-dipropyl phosphorodithioate IUPAC Ethoprop ChemIDplus O-ethyl S,S-dipropyl dithiophosphate IUPAC Phosphorodithioic acid, O-ethyl S,S-dipropyl ester ChemIDplus Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives. 0 C15OR14 196.160 195.99491 [*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C([*])([*])C1([*])[*] chebi_ontology CHEBI:38672 flavans flavans 0 C10H16NO5PS2 InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3 JISACBWYRJHSMG-UHFFFAOYSA-N 325.34354 325.02075 COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C CAS:52-85-7 KEGG:C18658 VSDB:1598 O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl phosphorothioate chebi_ontology Famophos O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphate Phosphorothioic acid, O-(4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl ester CHEBI:38677 famphur CAS:52-85-7 ChemIDplus CAS:52-85-7 KEGG COMPOUND CAS:52-85-7 NIST Chemistry WebBook O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl phosphorothioate IUPAC Famophos KEGG_COMPOUND Famophos NIST_Chemistry_WebBook O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphate IUPAC Phosphorothioic acid, O-(4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl ester ChemIDplus 0 C8H11NO3S InChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-7(10)4-6-8/h3-6,10H,1-2H3 JYBMFOQKJJJCPY-UHFFFAOYSA-N 201.24388 201.04596 CN(C)S(=O)(=O)c1ccc(O)cc1 Beilstein:2103901 CAS:15020-57-2 4-hydroxy-N,N-dimethylbenzenesulfonamide chebi_ontology 4-Dimethylsulfamoylphenol p-(N,N-Dimethylsulfamoyl)phenol CHEBI:38678 4-hydroxy-N,N-dimethylbenzenesulfonamide Beilstein:2103901 Beilstein CAS:15020-57-2 ChemIDplus 4-hydroxy-N,N-dimethylbenzenesulfonamide IUPAC 4-Dimethylsulfamoylphenol ChemIDplus p-(N,N-Dimethylsulfamoyl)phenol ChemIDplus 0 C13H22NO3PS InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N 303.35848 303.10580 CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1 Beilstein:4752893 CAS:22224-92-6 KEGG:C18659 PPDB:290 ethyl 3-methyl-4-(methylsulfanyl)phenyl N-(propan-2-yl)phosphoramidate fenamiphos chebi_ontology Nemacur ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate methaphenamiphos phenamiphos CHEBI:38680 fenamiphos Beilstein:4752893 Beilstein CAS:22224-92-6 ChemIDplus CAS:22224-92-6 KEGG COMPOUND CAS:22224-92-6 NIST Chemistry WebBook ethyl 3-methyl-4-(methylsulfanyl)phenyl N-(propan-2-yl)phosphoramidate IUPAC fenamiphos UniProt Nemacur NIST_Chemistry_WebBook ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate IUPAC ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate ChemIDplus ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate ChemIDplus isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate ChemIDplus methaphenamiphos ChemIDplus phenamiphos ChemIDplus 0 C8H10OS InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3 VKALYYFVKBXHTF-UHFFFAOYSA-N 154.23040 154.04524 CSc1ccc(O)cc1C Beilstein:1210322 CAS:3120-74-9 3-methyl-4-(methylsulfanyl)phenol chebi_ontology 3-Methyl-4-(1-methylthio)phenol 3-methyl-4-(methylsulfanyl)phenol 4-(Methylthio)-m-cresol Methylthiomethylphenol CHEBI:38681 4-(methylsulfanyl)-m-cresol Beilstein:1210322 Beilstein CAS:3120-74-9 ChemIDplus 3-methyl-4-(methylsulfanyl)phenol IUPAC 3-Methyl-4-(1-methylthio)phenol ChemIDplus 3-methyl-4-(methylsulfanyl)phenol UniProt 4-(Methylthio)-m-cresol ChemIDplus Methylthiomethylphenol ChemIDplus 0 CHBr3 InChI=1S/CHBr3/c2-1(3)4/h1H DIKBFYAXUHHXCS-UHFFFAOYSA-N 252.73064 249.76284 [H]C(Br)(Br)Br CHEBI:29363 CHEBI:34592 CHEBI:49730 Beilstein:1731048 CAS:75-25-2 Drug_Central:405 Gmelin:49500 KEGG:C14707 PDBeChem:MBR Bromoform bromoform chebi_ontology CHBr3 TRIBROMOMETHANE Tribrommethan Tribromomethane methyl tribromide CHEBI:38682 bromoform Beilstein:1731048 ChemIDplus CAS:75-25-2 ChemIDplus CAS:75-25-2 KEGG COMPOUND CAS:75-25-2 NIST Chemistry WebBook Drug_Central:405 DrugCentral Gmelin:49500 Gmelin Bromoform KEGG_COMPOUND bromoform IUPAC CHBr3 IUPAC TRIBROMOMETHANE PDBeChem Tribrommethan NIST_Chemistry_WebBook Tribromomethane KEGG_COMPOUND methyl tribromide ChemIDplus An epoxide that is oxirane substituted by a methyl group at position 2. 0 C3H6O InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3 GOOHAUXETOMSMM-UHFFFAOYSA-N 58.07914 58.04186 [H]C1(C)CO1 CHEBI:11158 CHEBI:23934 Beilstein:79763 CAS:75-56-9 Gmelin:81761 HMDB:HMDB0031558 KEGG:C15508 MetaCyc:12-EPOXYPROPANE PMID:23803541 PMID:24699862 Reaxys:79763 Wikipedia:Propylene_oxide 1,2-epoxypropane 2-methyloxirane chebi_ontology 1,2-Propylene oxide 1,2-propylene oxide 2,3-epoxypropane Propylene oxide epoxypropane methyloxacyclopropane methyloxirane propylene oxide CHEBI:38685 1,2-epoxypropane Beilstein:79763 Beilstein CAS:75-56-9 ChemIDplus CAS:75-56-9 KEGG COMPOUND CAS:75-56-9 NIST Chemistry WebBook Gmelin:81761 Gmelin PMID:23803541 Europe PMC PMID:24699862 Europe PMC Reaxys:79763 Reaxys 1,2-epoxypropane UniProt 2-methyloxirane IUPAC 1,2-Propylene oxide KEGG_COMPOUND 1,2-propylene oxide NIST_Chemistry_WebBook 2,3-epoxypropane ChemIDplus Propylene oxide KEGG_COMPOUND epoxypropane ChemIDplus methyloxacyclopropane ChemIDplus methyloxirane NIST_Chemistry_WebBook propylene oxide NIST_Chemistry_WebBook 0 C7H8O2S InChI=1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3 ZCQSJUGIZGMDDA-UHFFFAOYSA-N 156.20322 156.02450 CS(=O)c1ccc(O)cc1 Beilstein:1859795 CAS:14763-64-5 4-(methanesulfinyl)phenol chebi_ontology CHEBI:38688 4-(methylsulfinyl)phenol Beilstein:1859795 Beilstein CAS:14763-64-5 ChemIDplus 4-(methanesulfinyl)phenol IUPAC 0 C10H15OPS2 InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 KVGLBTYUCJYMND-UHFFFAOYSA-N 246.33126 246.03019 CCOP(=S)(CC)Sc1ccccc1 Beilstein:1958949 CAS:944-22-9 KEGG:C18987 PPDB:356 O-ethyl S-phenyl ethylphosphonodithioate chebi_ontology (+-)-O-Ethyl S-phenyl ethylphosphonodithioate Dyphonate Ethylphosphonodithioic acid O-ethyl S-phenyl ester CHEBI:38689 fonofos Beilstein:1958949 Beilstein CAS:944-22-9 ChemIDplus CAS:944-22-9 KEGG COMPOUND CAS:944-22-9 NIST Chemistry WebBook O-ethyl S-phenyl ethylphosphonodithioate IUPAC (+-)-O-Ethyl S-phenyl ethylphosphonodithioate ChemIDplus Dyphonate ChemIDplus Dyphonate KEGG_COMPOUND Ethylphosphonodithioic acid O-ethyl S-phenyl ester ChemIDplus The simplest member of the class of flavans that is chromane substituted by a phenyl group at position 2. 0 C15H14O InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2 QOLIPNRNLBQTAU-UHFFFAOYSA-N 210.27106 210.10447 C1Cc2ccccc2OC1c1ccccc1 CHEBI:24039 CHEBI:36097 Beilstein:383899 CAS:494-12-2 MetaCyc:CPD-13729 Reaxys:383899 Wikipedia:Flavan 2-phenyl-3,4-dihydro-2H-chromene flavan chebi_ontology 2-Phenylchroman 2-phenylchromane 3,4-dihydro-2-phenyl-2H-1-benzopyran CHEBI:38691 flavan flavan 0 C2H2FNaO2 InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1 JGFYQVQAXANWJU-UHFFFAOYSA-M 100.02425 99.99365 [Na+].[O-]C(=O)CF Beilstein:3915223 CAS:62-74-8 Gmelin:470376 KEGG:C18588 sodium fluoroacetate chebi_ontology Natriumfluoracetat Sodium monofluoroacetate fluoroacetic acid sodium salt sodium monofluoroacetate CHEBI:38699 sodium fluoroacetate Beilstein:3915223 Beilstein CAS:62-74-8 ChemIDplus CAS:62-74-8 KEGG COMPOUND Gmelin:470376 Gmelin sodium fluoroacetate IUPAC Natriumfluoracetat ChemIDplus Sodium monofluoroacetate KEGG_COMPOUND fluoroacetic acid sodium salt ChemIDplus sodium monofluoroacetate ChemIDplus organic sodium salt chebi_ontology organic sodium salts CHEBI:38700 organic sodium salt organic sodium salt ChEBI organic sodium salts ChEBI chebi_ontology inorganic sodium salts CHEBI:38702 inorganic sodium salt inorganic sodium salts ChEBI Substance used to treat lice (genus Pediculus) infestation. chebi_ontology pediculicides CHEBI:38706 pediculicide pediculicides ChEBI Any dianion containing at least one carboxy group. carboxylic acid dianion chebi_ontology carboxylic acid dianions CHEBI:38716 carboxylic acid dianion carboxylic acid dianion ChEBI carboxylic acid dianions ChEBI A trianion containing at least one carboxy group. carboxylic acid trianion chebi_ontology carboxylic acid trianions CHEBI:38717 carboxylic acid trianion carboxylic acid trianion ChEBI carboxylic acid trianions ChEBI An organic thiophosphate resulting from the N-deacylation of the proinsecticide acephate. 0 C2H8NO2PS InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4) NNKVPIKMPCQWCG-UHFFFAOYSA-N 141.13022 141.00134 COP(N)(=O)SC Beilstein:1098870 CAS:10265-92-6 KEGG:C18667 PMID:27990599 PMID:28036051 PMID:28540662 PPDB:453 Reaxys:8137714 O,S-dimethyl phosphoroamidothioate chebi_ontology O,S-Dimethyl phosphoramidothiolate O,S-dimethyl amidothiophosphate metamidophos methyl phosphoramidothioate phosphoramidothioic acid, O,S-dimethyl ester phosphoramidothioic acid, o,s-dimethyl ester thiophosphoramidic acid O,S-dimethyl ester CHEBI:38721 methamidophos Beilstein:1098870 Beilstein CAS:10265-92-6 ChemIDplus CAS:10265-92-6 KEGG COMPOUND CAS:10265-92-6 NIST Chemistry WebBook PMID:27990599 Europe PMC PMID:28036051 Europe PMC PMID:28540662 Europe PMC Reaxys:8137714 Reaxys O,S-dimethyl phosphoroamidothioate IUPAC O,S-Dimethyl phosphoramidothiolate NIST_Chemistry_WebBook O,S-dimethyl amidothiophosphate IUPAC metamidophos ChemIDplus methyl phosphoramidothioate ChemIDplus phosphoramidothioic acid, O,S-dimethyl ester ChemIDplus phosphoramidothioic acid, o,s-dimethyl ester NIST_Chemistry_WebBook thiophosphoramidic acid O,S-dimethyl ester ChEBI 0 C7H13O6P InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3 GEPDYQSQVLXLEU-UHFFFAOYSA-N 224.14828 224.04498 COC(=O)C=C(C)OP(=O)(OC)OC Beilstein:1793349 CAS:7786-34-7 KEGG:C18688 PPDB:471 methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate chebi_ontology 1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate 2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate Methyl 3-hydroxycrotonate dimethyl phosphate ester O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphate Phosdrin CHEBI:38725 mevinphos Beilstein:1793349 Beilstein CAS:7786-34-7 ChemIDplus CAS:7786-34-7 KEGG COMPOUND CAS:7786-34-7 NIST Chemistry WebBook methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate IUPAC 1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate ChemIDplus 2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate ChemIDplus Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate ChemIDplus Methyl 3-hydroxycrotonate dimethyl phosphate ester ChemIDplus O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphate ChemIDplus Phosdrin ChemIDplus 0 C5H8O3 InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3,6H,1-2H3 DHVOJYDALVUWPZ-UHFFFAOYSA-N 116.11522 116.04734 COC(=O)C=C(C)O Beilstein:1922453 methyl 3-hydroxybut-2-enoate chebi_ontology CHEBI:38726 methyl 3-hydroxybut-2-enoate Beilstein:1922453 Beilstein methyl 3-hydroxybut-2-enoate IUPAC An alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate. 0 C7H14NO5P InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+ KRTSDMXIXPKRQR-AATRIKPKSA-N 223.16356 223.06096 CNC(=O)\C=C(/C)OP(=O)(OC)OC Beilstein:2331934 CAS:6923-22-4 HMDB:HMDB0031805 KEGG:C18663 PMID:23010531 PMID:23228476 PMID:23948368 PMID:24105069 PMID:24440807 PPDB:1111 Reaxys:8415832 Wikipedia:Monocrotophos dimethyl (1E)-1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate chebi_ontology (E)-monocrotophos Azodrin Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate Dimethyl (E)-3-hydroxy-N-methylcrotonamide Phosphoric acid, dimethyl (E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester CHEBI:38728 monocrotophos Beilstein:2331934 Beilstein CAS:6923-22-4 ChemIDplus CAS:6923-22-4 KEGG COMPOUND CAS:6923-22-4 NIST Chemistry WebBook PMID:23010531 Europe PMC PMID:23228476 Europe PMC PMID:23948368 Europe PMC PMID:24105069 Europe PMC PMID:24440807 Europe PMC Reaxys:8415832 Reaxys dimethyl (1E)-1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate IUPAC (E)-monocrotophos HMDB Azodrin ChemIDplus Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate ChemIDplus Dimethyl (E)-3-hydroxy-N-methylcrotonamide ChemIDplus Phosphoric acid, dimethyl (E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester ChemIDplus An dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union. 0 C4H7Br2Cl2O4P InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3 BUYMVQAILCEWRR-UHFFFAOYSA-N 380.78400 377.78258 COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Beilstein:2049930 CAS:300-76-5 KEGG:C18749 PPDB:480 Patent:GB855157 Patent:US2971882 Pesticides:naled Wikipedia:Naled 1,2-dibromo-2,2-dichloroethyl dimethyl phosphate chebi_ontology Bromex Dibrom O,O-dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate Ortho-Dibrom dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl ester CHEBI:38729 naled Beilstein:2049930 Beilstein CAS:300-76-5 ChemIDplus CAS:300-76-5 KEGG COMPOUND CAS:300-76-5 NIST Chemistry WebBook Pesticides:naled Alan Wood's Pesticides 1,2-dibromo-2,2-dichloroethyl dimethyl phosphate IUPAC Bromex ChemIDplus Dibrom ChemIDplus O,O-dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate ChemIDplus O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate NIST_Chemistry_WebBook Ortho-Dibrom NIST_Chemistry_WebBook dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate Patent phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl ester ChemIDplus A monocarboxylic acid amide resulting from formal condensation between mercaptoacetic acid and methylamine. 0 C3H7NOS InChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5) NSJNRJYQQPRCLF-UHFFFAOYSA-N 105.15982 105.02484 CNC(=O)CS Beilstein:1740652 Reaxys:1740652 N-methyl-2-sulfanylacetamide chebi_ontology 2-mercapto-N-methylacetamide CHEBI:38731 N-methyl-2-sulfanylacetamide Beilstein:1740652 Beilstein Reaxys:1740652 Reaxys N-methyl-2-sulfanylacetamide ChEBI 2-mercapto-N-methylacetamide ChEBI 0 C6H15O4PS2 InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3 PMCVMORKVPSKHZ-UHFFFAOYSA-N 246.28500 246.01494 CCS(=O)CCSP(=O)(OC)OC Beilstein:1711268 CAS:301-12-2 KEGG:C18664 PPDB:501 Reaxys:1711268 Wikipedia:Oxydemeton-methyl S-[2-(ethanesulfinyl)ethyl] O,O-dimethyl phosphorothioate chebi_ontology Metasystox-R Oxydemeton methyl Phosphorothioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl thiophosphate CHEBI:38735 oxydemeton-methyl Beilstein:1711268 Beilstein CAS:301-12-2 ChemIDplus CAS:301-12-2 KEGG COMPOUND CAS:301-12-2 NIST Chemistry WebBook Reaxys:1711268 Reaxys S-[2-(ethanesulfinyl)ethyl] O,O-dimethyl phosphorothioate IUPAC Metasystox-R ChemIDplus Oxydemeton methyl ChemIDplus Phosphorothioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester ChemIDplus S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl thiophosphate IUPAC 0 C4H10O2S InChI=1S/C4H10O2S/c1-2-7(6)4-3-5/h5H,2-4H2,1H3 BKPCDGKOQNYNOA-UHFFFAOYSA-N 122.18700 122.04015 CCS(=O)CCO Beilstein:1743773 2-(ethanesulfinyl)ethanol chebi_ontology 2-(ethylsulfinyl)ethanol ethyl 2-hydroxyethyl sulfoxide CHEBI:38736 2-(ethanesulfinyl)ethanol Beilstein:1743773 Beilstein 2-(ethanesulfinyl)ethanol IUPAC 2-(ethylsulfinyl)ethanol ChEBI ethyl 2-hydroxyethyl sulfoxide ChEBI 0 C12H27OPS3 InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3 ZOKXUAHZSKEQSS-UHFFFAOYSA-N 314.51394 314.09617 CCCCSP(=O)(SCCCC)SCCCC Beilstein:1910992 CAS:78-48-8 PPDB:656 S,S,S-tributyl phosphorotrithioate tribufos chebi_ontology Butifos DEF DEF defoliant S,S,S-tributyl trithiophosphate butyl phosphorotrithioate phosphorotrithioic acid, S,S,S-tributyl ester tributylphosphorotrithioate CHEBI:38737 tribufos Beilstein:1910992 ChemIDplus CAS:78-48-8 ChemIDplus CAS:78-48-8 NIST Chemistry WebBook S,S,S-tributyl phosphorotrithioate IUPAC tribufos ChemIDplus Butifos ChemIDplus DEF ChemIDplus DEF defoliant ChemIDplus S,S,S-tributyl trithiophosphate NIST_Chemistry_WebBook butyl phosphorotrithioate NIST_Chemistry_WebBook phosphorotrithioic acid, S,S,S-tributyl ester ChemIDplus tributylphosphorotrithioate NIST_Chemistry_WebBook A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. 0 C8H10NO5PS InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 RLBIQVVOMOPOHC-UHFFFAOYSA-N 263.20700 263.00173 COP(=S)(OC)Oc1ccc(cc1)[N+]([O-])=O Beilstein:1914724 CAS:298-00-0 KEGG:C14228 PMID:14188063 PMID:17852161 PMID:24468856 PMID:24470377 PMID:24657944 PPDB:507 Pesticides:parathion-methyl O,O-dimethyl O-(4-nitrophenyl) phosphorothioate chebi_ontology Dimethyl p-nitrophenyl thiophosphate Dimethyl parathion Methyl parathion Methylparathion O,O-Dimethyl O-(p-nitrophenyl) thionophosphate Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester Phosphorothioic acid, o,o-dimethyl-o-p-nitrophenyl ester CHEBI:38746 parathion-methyl Beilstein:1914724 Beilstein CAS:298-00-0 ChemIDplus CAS:298-00-0 KEGG COMPOUND CAS:298-00-0 NIST Chemistry WebBook PMID:14188063 Europe PMC PMID:17852161 Europe PMC PMID:24468856 Europe PMC PMID:24470377 Europe PMC PMID:24657944 Europe PMC Pesticides:parathion-methyl Alan Wood's Pesticides O,O-dimethyl O-(4-nitrophenyl) phosphorothioate IUPAC Dimethyl p-nitrophenyl thiophosphate ChemIDplus Dimethyl parathion ChemIDplus Methyl parathion ChemIDplus Methyl parathion KEGG_COMPOUND Methylparathion KEGG_COMPOUND O,O-Dimethyl O-(p-nitrophenyl) thionophosphate ChemIDplus Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester ChemIDplus Phosphorothioic acid, o,o-dimethyl-o-p-nitrophenyl ester NIST_Chemistry_WebBook Any polyamine that contained three amino groups. triamines chebi_ontology CHEBI:38751 triamine triamines IUPAC Member of the class of isoflavones bearing at least one hydroxy group. chebi_ontology hydroxyisoflavones CHEBI:38755 hydroxyisoflavone hydroxyisoflavone Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives. 0 C15O2R10 212.160 211.98983 C12=C(C(=C(C(=C2C(C(=C(O1)*)C=3C(=C(C(=C(C3*)*)*)*)*)=O)*)*)*)* CHEBI:24889 CHEBI:24894 MetaCyc:Isoflavones isoflavones chebi_ontology an isoflavone CHEBI:38757 isoflavones isoflavones 0 C7H17O2PS3 InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3 BULVZWIRKLYCBC-UHFFFAOYSA-N 260.38044 260.01283 CCOP(=S)(OCC)SCSCC Beilstein:1708517 CAS:298-02-2 KEGG:C18690 PPDB:519 O,O-diethyl S-[(ethylsulfanyl)methyl] phosphorodithioate chebi_ontology O,O-Diethyl S-(ethylthio)methyl phosphorodithioate O,O-Diethyl S-ethylmercaptomethyl dithiophosphate O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate Phosphorodithioic acid, O,O-diethyl S-((ethylthio)methyl) ester Thimet CHEBI:38764 phorate Beilstein:1708517 Beilstein CAS:298-02-2 ChemIDplus CAS:298-02-2 KEGG COMPOUND CAS:298-02-2 NIST Chemistry WebBook O,O-diethyl S-[(ethylsulfanyl)methyl] phosphorodithioate IUPAC O,O-Diethyl S-(ethylthio)methyl phosphorodithioate ChemIDplus O,O-Diethyl S-ethylmercaptomethyl dithiophosphate ChemIDplus O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate IUPAC Phosphorodithioic acid, O,O-diethyl S-((ethylthio)methyl) ester ChemIDplus Thimet ChemIDplus Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine). chebi_ontology quinoxaline derivatives quinoxalines CHEBI:38771 quinoxaline derivative quinoxaline derivatives ChEBI quinoxalines ChEBI A monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group attached to the quinoline skeleton chebi_ontology quinolinemonocarboxylates CHEBI:38773 quinolinemonocarboxylate quinolinemonocarboxylates ChEBI chebi_ontology CHEBI:38777 azetidines chebi_ontology CHEBI:38778 triazinanes chebi_ontology CHEBI:38779 1,3,5-triazinanes A compound having the nitro group (-NO2) attached to a nitrogen atom. N-nitro compounds chebi_ontology CHEBI:38780 N-nitro compound N-nitro compounds IUPAC chebi_ontology thiadiazinanes CHEBI:38781 thiadiazinane thiadiazinanes ChEBI Any oxacycle that is oxetane or its substituted derivatives. chebi_ontology CHEBI:38784 oxetanes Any compound containing morpholine as part of its structure. chebi_ontology CHEBI:38785 morpholines 0 C11H12NO4PS2 InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 LMNZTLDVJIUSHT-UHFFFAOYSA-N 317.32100 316.99454 COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O Beilstein:264869 CAS:732-11-6 KEGG:C18756 KEGG:D08372 PPDB:521 VSDB:521 S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl phosphorodithioate chebi_ontology Decemthion Fosmet O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate O,O-Dimethyl S-phthalimidomethyl phosphorodithioate O,O-Dimethyl phthalimidomethyl phosphorodithioate PMP S-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphorodithioic acid O,O-dimethyl ester S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate CHEBI:38786 phosmet Beilstein:264869 Beilstein CAS:732-11-6 ChemIDplus CAS:732-11-6 KEGG COMPOUND CAS:732-11-6 NIST Chemistry WebBook S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl phosphorodithioate IUPAC Decemthion ChemIDplus Fosmet ChemIDplus O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate ChemIDplus O,O-Dimethyl S-phthalimidomethyl phosphorodithioate ChemIDplus O,O-Dimethyl phthalimidomethyl phosphorodithioate ChemIDplus PMP NIST_Chemistry_WebBook S-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphorodithioic acid O,O-dimethyl ester ChemIDplus S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate IUPAC chebi_ontology CHEBI:38791 azocanes 0 C7H15N InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2 QXNDZONIWRINJR-UHFFFAOYSA-N 113.20074 113.12045 C1CCCNCCC1 Beilstein:102615 CAS:1121-92-2 Gmelin:130714 azocane chebi_ontology azacyclooctane heptamethyleneimine heptamethylenimine octahydroazocine perhydroazocine CHEBI:38792 azocane Beilstein:102615 Beilstein CAS:1121-92-2 ChemIDplus CAS:1121-92-2 NIST Chemistry WebBook Gmelin:130714 Gmelin azocane IUPAC azacyclooctane NIST_Chemistry_WebBook heptamethyleneimine ChemIDplus heptamethylenimine NIST_Chemistry_WebBook octahydroazocine NIST_Chemistry_WebBook perhydroazocine ChemIDplus 0 C14H11N6O3 311.276 311.08926 CHEBI:37074 chebi_ontology CHEBI:38793 pteroate 0 C14H12N6O3 312.284 312.09709 CHEBI:26378 CAS:119-24-4 DrugBank:DB04196 Pteroic acid chebi_ontology Pteroinsaeure CHEBI:38794 pteroic acid CAS:119-24-4 ChemIDplus Pteroic acid ChemIDplus Pteroinsaeure ChEBI chebi_ontology CHEBI:38795 pteroic acids chebi_ontology CHEBI:38796 pteroates 0 C8H8N2O2 164.162 164.05858 benzenedicarboxamide chebi_ontology CHEBI:38800 benzenedicarboxamide benzenedicarboxamide IUPAC 0 C8H8N2O2 InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) QZUPTXGVPYNUIT-UHFFFAOYSA-N 164.16140 164.05858 NC(=O)c1cccc(c1)C(N)=O Beilstein:2045544 CAS:1740-57-4 benzene-1,3-dicarboxamide isophthalamide chebi_ontology 1,3-benzenedicarboxamide isophthaldiamide isophthalic acid diamide m-carbamoylbenzamide m-phthalamide CHEBI:38801 isophthalamide Beilstein:2045544 ChemIDplus CAS:1740-57-4 ChemIDplus CAS:1740-57-4 NIST Chemistry WebBook benzene-1,3-dicarboxamide IUPAC isophthalamide NIST_Chemistry_WebBook 1,3-benzenedicarboxamide ChemIDplus isophthaldiamide ChemIDplus isophthalic acid diamide ChemIDplus m-carbamoylbenzamide ChemIDplus m-phthalamide ChemIDplus chebi_ontology fluoroorganic insecticide fluororganische Insektizide organofluorine insecticides CHEBI:38804 organofluorine insecticide fluoroorganic insecticide ChEBI fluororganische Insektizide ChEBI organofluorine insecticides ChEBI chebi_ontology fluoroorganic pesticide fluororganische Pestizide organofluorine pesticides CHEBI:38805 organofluorine pesticide fluoroorganic pesticide ChEBI fluororganische Pestizide ChEBI organofluorine pesticides ChEBI chebi_ontology fluoroorganic acaricide fluororganische Akarizide organofluorine acaricides CHEBI:38806 organofluorine acaricide fluoroorganic acaricide ChEBI fluororganische Akarizide ChEBI organofluorine acaricides ChEBI Agents that increase calcium influx into calcium channels of excitable tissues. chebi_ontology calcium channel activator calcium channel activators calcium channel agonists CHEBI:38807 calcium channel agonist calcium channel activator ChEBI calcium channel activators ChEBI calcium channel agonists ChEBI A membrane transport modulator that is able to regulate intracellular calcium levels. chebi_ontology calcium channel modulators CHEBI:38808 calcium channel modulator calcium channel modulators ChEBI chebi_ontology RyR modulator ryanodine receptor modulators ryanodine-sensitive calcium channel modulator ryanodine-sensitive calcium-release channel modulator CHEBI:38809 ryanodine receptor modulator RyR modulator ChEBI ryanodine receptor modulators ChEBI ryanodine-sensitive calcium channel modulator ChEBI ryanodine-sensitive calcium-release channel modulator ChEBI A primary alcohol comprising phthalimide carrying an N-hydroxymethyl substituent. 0 C9H7NO3 InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2 MNSGOOCAMMSKGI-UHFFFAOYSA-N 177.15682 177.04259 OCN1C(=O)c2ccccc2C1=O Beilstein:140946 CAS:118-29-6 PMID:11376613 PMID:13129307 PMID:18272363 PMID:19073064 PMID:6644601 Reaxys:140946 2-(hydroxymethyl)isoindole-1,3-dione chebi_ontology N-Hydroxymethylphthalimide Phthalimidomethanol Phthalimidomethyl alcohol phthalimidomethyl alcohol CHEBI:38816 N-(hydroxymethyl)phthalimide Beilstein:140946 Beilstein CAS:118-29-6 ChemIDplus CAS:118-29-6 NIST Chemistry WebBook PMID:11376613 Europe PMC PMID:13129307 Europe PMC PMID:18272363 Europe PMC PMID:19073064 Europe PMC PMID:6644601 Europe PMC Reaxys:140946 Reaxys 2-(hydroxymethyl)isoindole-1,3-dione IUPAC N-Hydroxymethylphthalimide ChemIDplus Phthalimidomethanol NIST_Chemistry_WebBook Phthalimidomethyl alcohol ChemIDplus phthalimidomethyl alcohol ChEBI A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. 0 C8H5NO2 InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11) XKJCHHZQLQNZHY-UHFFFAOYSA-N 147.13084 147.03203 O=C1NC(=O)c2ccccc12 Beilstein:118522 CAS:85-41-6 PMID:16610900 PMID:24171082 Reaxys:118522 Wikipedia:Phthalimide 1H-isoindole-1,3(2H)-dione chebi_ontology 1,3-Isoindolinedione 1H-Isoindole-1,3(2H)-dione 2-Diazoindan-1,3-dione o-Phthalic imide CHEBI:38817 phthalimide Beilstein:118522 Beilstein CAS:85-41-6 ChemIDplus CAS:85-41-6 NIST Chemistry WebBook PMID:16610900 Europe PMC PMID:24171082 Europe PMC Reaxys:118522 Reaxys 1H-isoindole-1,3(2H)-dione IUPAC 1,3-Isoindolinedione ChemIDplus 1H-Isoindole-1,3(2H)-dione ChemIDplus 2-Diazoindan-1,3-dione NIST_Chemistry_WebBook o-Phthalic imide NIST_Chemistry_WebBook A compound that has significant antifungal properties whose structure contains a quinoxaline moiety. chebi_ontology quinoxaline antifungal agents quinoxaline fungicide quinoxaline fungicides CHEBI:38819 quinoxaline antifungal agent quinoxaline antifungal agents ChEBI quinoxaline fungicide ChEBI quinoxaline fungicides ChEBI chebi_ontology CHEBI:38820 quinoxaline acaricide A quinoxaline derivative that has pesticidal properties. chebi_ontology quinoxaline pesticides CHEBI:38821 quinoxaline pesticide quinoxaline pesticides ChEBI Compounds consisting wholly of fluorine and carbon. fluorocarbon fluorocarbons chebi_ontology fluorocarbons CHEBI:38824 fluorocarbon fluorocarbon ChEBI fluorocarbons IUPAC fluorocarbons ChEBI 0 CF4 InChI=1S/CF4/c2-1(3,4)5 TXEYQDLBPFQVAA-UHFFFAOYSA-N 88.00431 87.99361 FC(F)(F)F Beilstein:1697288 CAS:75-73-0 Gmelin:2016 tetrafluoromethane chebi_ontology CF4 Freon 14 Halon 14 Tetrafluorkohlenstoff Tetrafluormethan carbon tetrafluoride perfluoromethane tetrafluoridocarbon tetrafluorocarbon CHEBI:38825 tetrafluoromethane Beilstein:1697288 Beilstein CAS:75-73-0 ChemIDplus CAS:75-73-0 NIST Chemistry WebBook Gmelin:2016 Gmelin tetrafluoromethane IUPAC CF4 IUPAC Freon 14 NIST_Chemistry_WebBook Halon 14 NIST_Chemistry_WebBook Tetrafluorkohlenstoff ChEBI Tetrafluormethan ChEBI carbon tetrafluoride ChemIDplus perfluoromethane NIST_Chemistry_WebBook tetrafluoridocarbon IUPAC tetrafluorocarbon ChemIDplus 0 C8F18 InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 YVBBRRALBYAZBM-UHFFFAOYSA-N 438.05690 437.97126 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1717142 CAS:307-34-6 Gmelin:614859 octadecafluorooctane perfluorooctane chebi_ontology 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane Perfluoroctan n-perfluorooctane CHEBI:38826 perfluorooctane Beilstein:1717142 ChemIDplus CAS:307-34-6 ChemIDplus CAS:307-34-6 NIST Chemistry WebBook Gmelin:614859 Gmelin octadecafluorooctane IUPAC perfluorooctane ChemIDplus 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane NIST_Chemistry_WebBook Perfluoroctan ChEBI n-perfluorooctane NIST_Chemistry_WebBook 0 C3H8S2 InChI=1S/C3H8S2/c1-2-5-3-4/h4H,2-3H2,1H3 VRQFYSHDLYCPRC-UHFFFAOYSA-N 108.22762 108.00674 CCSCS Beilstein:1731145 (ethylsulfanyl)methanethiol chebi_ontology formaldehyde ethyl dithiohemiacetal CHEBI:38829 (ethylsulfanyl)methanethiol Beilstein:1731145 Beilstein (ethylsulfanyl)methanethiol IUPAC formaldehyde ethyl dithiohemiacetal ChEBI A member of the class of benzofurans consisting of a 1-benzofuran skeleton and its substituted derivatives thereof. chebi_ontology CHEBI:38830 1-benzofurans chebi_ontology CHEBI:38831 2-benzofurans An organic thiophosphate that is O,O-dimethyl O-pyrimidin-4-yl phosphorothioate substituted by a methyl group at position 6 and a diethylamino group at position 2. 0 C11H20N3O3PS InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N 305.33400 305.09630 CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1 Beilstein:755726 CAS:29232-93-7 KEGG:C18403 PMID:23343221 PMID:24476070 PMID:24685163 PMID:24711991 PPDB:532 Reaxys:755726 Wikipedia:Pirimiphos-methyl O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl phosphorothioate chebi_ontology O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate Pirimifosmethyl Pirimiphos methyl Pirimiphosmethyl Pyrimiphos methyl CHEBI:38843 pirimiphos-methyl Beilstein:755726 Beilstein CAS:29232-93-7 ChemIDplus CAS:29232-93-7 KEGG COMPOUND CAS:29232-93-7 NIST Chemistry WebBook PMID:23343221 Europe PMC PMID:24476070 Europe PMC PMID:24685163 Europe PMC PMID:24711991 Europe PMC Reaxys:755726 Reaxys O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl phosphorothioate IUPAC O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate IUPAC Pirimifosmethyl ChemIDplus Pirimiphos methyl NIST_Chemistry_WebBook Pirimiphosmethyl KEGG_COMPOUND Pyrimiphos methyl ChemIDplus 0 C9H15N3O InChI=1S/C9H15N3O/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13) NQCPECCCWDWTJJ-UHFFFAOYSA-N 181.23502 181.12151 CCN(CC)c1nc(=O)cc(C)[nH]1 Beilstein:642602 CAS:42487-72-9 2-(diethylamino)-6-methylpyrimidin-4(1H)-one chebi_ontology 2-(Diethylamino)-6-methyl-1H-pyrimidin-4-one CHEBI:38844 2-diethylamino-6-methylpyrimidin-4(1H)-one Beilstein:642602 Beilstein CAS:42487-72-9 ChemIDplus 2-(diethylamino)-6-methylpyrimidin-4(1H)-one IUPAC 2-(Diethylamino)-6-methyl-1H-pyrimidin-4-one ChemIDplus 0 C11H15BrClO3PS InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3 QYMMJNLHFKGANY-UHFFFAOYSA-N 373.63146 371.93514 CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl Beilstein:2150258 CAS:41198-08-7 KEGG:C18404 PPDB:538 O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate chebi_ontology Curacron O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester CHEBI:38845 profenofos Beilstein:2150258 Beilstein CAS:41198-08-7 ChemIDplus CAS:41198-08-7 KEGG COMPOUND O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate IUPAC Curacron ChemIDplus O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate IUPAC Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester ChemIDplus A monocarboxylic acid anion that is the conjugate base of phenoxyacetic acid. -1 C8H7O3 InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1 LCPDWSOZIOUXRV-UHFFFAOYSA-M 151.13938 151.04007 [O-]C(=O)COc1ccccc1 Beilstein:3905583 Gmelin:328350 Reaxys:3905583 phenoxyacetate chebi_ontology CHEBI:38846 phenoxyacetate Beilstein:3905583 Beilstein Gmelin:328350 Gmelin Reaxys:3905583 Reaxys phenoxyacetate IUPAC 0 C7F16 InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23 LGUZHRODIJCVOC-UHFFFAOYSA-N 388.04940 387.97445 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1716335 CAS:335-57-9 Gmelin:275957 hexadecafluoroheptane perfluoroheptane chebi_ontology 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane perfluoro-n-heptane CHEBI:38847 perfluoroheptane Beilstein:1716335 ChemIDplus CAS:335-57-9 ChemIDplus CAS:335-57-9 NIST Chemistry WebBook Gmelin:275957 Gmelin hexadecafluoroheptane IUPAC perfluoroheptane ChemIDplus 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane NIST_Chemistry_WebBook perfluoro-n-heptane NIST_Chemistry_WebBook A halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively. 0 C6H4BrClO InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H VIBJPUXLAKVICD-UHFFFAOYSA-N 207.45206 205.91341 Oc1ccc(Br)cc1Cl Beilstein:2042867 CAS:3964-56-5 4-bromo-2-chlorophenol chebi_ontology 2-Chloro-4-bromophenol CHEBI:38852 4-bromo-2-chlorophenol Beilstein:2042867 Beilstein CAS:3964-56-5 ChemIDplus CAS:3964-56-5 NIST Chemistry WebBook 4-bromo-2-chlorophenol IUPAC 2-Chloro-4-bromophenol NIST_Chemistry_WebBook An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. 0 C10H18 InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2 NNBZCPXTIHJBJL-UHFFFAOYSA-N 138.24992 138.14085 C1CCC2CCCCC2C1 Beilstein:878165 CAS:91-17-8 Gmelin:185147 PMID:23263676 PMID:23510204 PMID:24689596 Reaxys:878165 Wikipedia:Decalin decahydronaphthalene decalin chebi_ontology Decahydronaphthalin Dekahydronaphthalin Dekalin Naphthan bicyclo[4.4.0]decane naphthane perhydronaphthalene CHEBI:38853 decalin Beilstein:878165 Beilstein CAS:91-17-8 ChemIDplus CAS:91-17-8 NIST Chemistry WebBook Gmelin:185147 Gmelin PMID:23263676 Europe PMC PMID:23510204 Europe PMC PMID:24689596 Europe PMC Reaxys:878165 Reaxys decahydronaphthalene IUPAC decalin ChemIDplus Decahydronaphthalin ChEBI Dekahydronaphthalin ChEBI Dekalin ChemIDplus Naphthan NIST_Chemistry_WebBook bicyclo[4.4.0]decane NIST_Chemistry_WebBook naphthane NIST_Chemistry_WebBook perhydronaphthalene ChemIDplus halophenol chebi_ontology halophenols CHEBI:38856 halophenol halophenol ChEBI halophenols ChEBI 0 C6H5ClO 128.556 128.00289 chlorophenol chebi_ontology CHEBI:38857 monochlorophenol chlorophenol IUPAC 0 C7H8OS InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 QASBCTGZKABPKX-UHFFFAOYSA-N 140.20382 140.02959 CSc1ccc(O)cc1 Beilstein:2041507 CAS:1073-72-9 4-(methylsulfanyl)phenol chebi_ontology 4-(Methylthio)phenol 4-Hydroxyphenyl methyl sulfide 4-Methylmercaptophenol p-(Methylthio)phenol p-Hydroxyphenyl methyl sulfide p-Hydroxythioanisole CHEBI:38862 4-(methylsulfanyl)phenol Beilstein:2041507 Beilstein CAS:1073-72-9 ChemIDplus CAS:1073-72-9 NIST Chemistry WebBook 4-(methylsulfanyl)phenol IUPAC 4-(Methylthio)phenol ChemIDplus 4-Hydroxyphenyl methyl sulfide NIST_Chemistry_WebBook 4-Methylmercaptophenol ChemIDplus p-(Methylthio)phenol ChemIDplus p-Hydroxyphenyl methyl sulfide NIST_Chemistry_WebBook p-Hydroxythioanisole NIST_Chemistry_WebBook 0 C10H20NO4PS InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+ BZNDWPRGXNILMS-VQHVLOKHSA-N 281.30990 281.08507 CCNP(=S)(OC)O\C(C)=C\C(=O)OC(C)C Beilstein:1979853 CAS:31218-83-4 KEGG:C18669 PPDB:549 VSDB:549 propan-2-yl (2E)-3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate chebi_ontology (E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate 1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate CHEBI:38864 propetamphos Beilstein:1979853 Beilstein CAS:31218-83-4 ChemIDplus CAS:31218-83-4 KEGG COMPOUND propan-2-yl (2E)-3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate IUPAC (E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate ChemIDplus 1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate ChemIDplus O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate ChEBI 0 C2F4 InChI=1S/C2F4/c3-1(4)2(5)6 BFKJFAAPBSQJPD-UHFFFAOYSA-N 100.01501 99.99361 FC(F)=C(F)F Beilstein:1098492 Beilstein:1740275 CAS:116-14-3 Gmelin:25997 KEGG:C19299 tetrafluoroethene chebi_ontology 1,1,2,2-tetrafluoroethylene C2F4 F2C=CF2 Perfluoraethylen TFE Tetrafluoraethen Tetrafluoraethylen perfluoroethene perfluoroethylene tetrafluoroethylene CHEBI:38866 tetrafluoroethene Beilstein:1098492 Beilstein Beilstein:1740275 Beilstein CAS:116-14-3 ChemIDplus CAS:116-14-3 KEGG COMPOUND CAS:116-14-3 NIST Chemistry WebBook Gmelin:25997 Gmelin tetrafluoroethene IUPAC 1,1,2,2-tetrafluoroethylene ChemIDplus C2F4 IUPAC F2C=CF2 IUPAC Perfluoraethylen ChEBI TFE ChemIDplus Tetrafluoraethen ChEBI Tetrafluoraethylen ChEBI perfluoroethene NIST_Chemistry_WebBook perfluoroethylene ChemIDplus tetrafluoroethylene ChemIDplus Substance which produces loss of feeling or sensation. anaesthetic chebi_ontology Anaesthetika Anaesthetikum anaesthetics anesthetic agent anesthetic drug anesthetics CHEBI:38867 anaesthetic anaesthetic IUPAC Anaesthetika ChEBI Anaesthetikum ChEBI anaesthetics ChEBI anesthetic agent ChEBI anesthetic drug ChEBI anesthetics ChEBI An isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol. 0 C7H12O3 InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h4-5,8H,1-3H3 ZNFAKZVVPSSMDA-UHFFFAOYSA-N 144.16838 144.07864 CC(C)OC(=O)C=C(C)O Beilstein:6122750 propan-2-yl 3-hydroxybut-2-enoate chebi_ontology CHEBI:38868 isopropyl 3-hydroxybut-2-enoate Beilstein:6122750 Beilstein propan-2-yl 3-hydroxybut-2-enoate IUPAC Substance that produces loss of consciousness. general anaesthetic chebi_ontology Allgemeinanaesthetika Allgemeinanaesthetikum general anaesthetics general anesthetics CHEBI:38869 general anaesthetic general anaesthetic IUPAC Allgemeinanaesthetika ChEBI Allgemeinanaesthetikum ChEBI general anaesthetics ChEBI general anesthetics ChEBI chebi_ontology Inhalationsanaesthetika Inhalationsanaesthetikum Inhalationsnarkotika Inhalationsnarkotikum anesthetic gases inhalation anesthetics CHEBI:38870 inhalation anaesthetic Inhalationsanaesthetika ChEBI Inhalationsanaesthetikum ChEBI Inhalationsnarkotika ChEBI Inhalationsnarkotikum ChEBI anesthetic gases ChEBI inhalation anesthetics ChEBI 0 C4H6O3 InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2,5H,1H3,(H,6,7) NVPCGXUWUBHZBD-UHFFFAOYSA-N 102.08864 102.03169 CC(O)=CC(O)=O Beilstein:4653987 3-hydroxybut-2-enoic acid chebi_ontology CHEBI:38871 3-hydroxybut-2-enoic acid Beilstein:4653987 Beilstein 3-hydroxybut-2-enoic acid IUPAC chebi_ontology i.v.-Anaesthetika i.v.-Anaesthetikum intravenous anesthetics CHEBI:38877 intravenous anaesthetic i.v.-Anaesthetika ChEBI i.v.-Anaesthetikum ChEBI intravenous anesthetics ChEBI A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1. 0 C9H8N2 InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H WITMXBRCQWOZPX-UHFFFAOYSA-N 144.17330 144.06875 c1ccc(cc1)-n1cccn1 Beilstein:2594 CAS:1126-00-7 PMID:22933047 PMID:23168081 PMID:23595881 Reaxys:2594 1-phenyl-1H-pyrazole chebi_ontology CHEBI:38879 1-phenylpyrazole Beilstein:2594 Beilstein CAS:1126-00-7 ChemIDplus PMID:22933047 Europe PMC PMID:23168081 Europe PMC PMID:23595881 Europe PMC Reaxys:2594 Reaxys 1-phenyl-1H-pyrazole IUPAC A diarylmethane that is methane substituted by two phenyl groups. 0 C13H12 InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2 CZZYITDELCSZES-UHFFFAOYSA-N 168.23438 168.09390 C(c1ccccc1)c1ccccc1 Beilstein:1904982 CAS:101-81-5 Gmelin:27805 PMID:23749969 Reaxys:1904982 Wikipedia:Diphenylmethane 1,1'-methylenedibenzene diphenylmethane chebi_ontology (phenylmethyl)benzene 1,1'-dimethylenebis(benzene) 1,1'-methylenebisbenzene Diphenylmethan alpha-phenyltoluene benzylbenzene ditan CHEBI:38884 diphenylmethane Beilstein:1904982 Beilstein CAS:101-81-5 ChemIDplus CAS:101-81-5 NIST Chemistry WebBook Gmelin:27805 Gmelin PMID:23749969 Europe PMC Reaxys:1904982 Reaxys 1,1'-methylenedibenzene IUPAC diphenylmethane NIST_Chemistry_WebBook (phenylmethyl)benzene NIST_Chemistry_WebBook 1,1'-dimethylenebis(benzene) NIST_Chemistry_WebBook 1,1'-methylenebisbenzene ChemIDplus Diphenylmethan ChEBI alpha-phenyltoluene NIST_Chemistry_WebBook benzylbenzene ChemIDplus ditan ChemIDplus A carbamate ester that consists of 2,3,5-trimethylphenol carrying an O-(N-methylcarbamoyl) group. One of two constituents of trimethacarb. 0 C11H15NO2 InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13) NYOKZHDTNBDPOB-UHFFFAOYSA-N 193.24234 193.11028 CNC(=O)Oc1cc(C)cc(C)c1C Beilstein:2331082 CAS:2655-15-4 KEGG:C18957 PPDB:671 Reaxys:2331082 2,3,5-trimethylphenyl methylcarbamate chebi_ontology 2,3,5-Trimethylphenol methylcarbamate 2,3,5-Trimethylphenyl N-methylcarbamate methylcarbamic acid 2,3,5-trimethylphenyl ester CHEBI:38893 2,3,5-trimethylphenyl methylcarbamate Beilstein:2331082 Beilstein CAS:2655-15-4 ChemIDplus CAS:2655-15-4 KEGG COMPOUND CAS:2655-15-4 NIST Chemistry WebBook Reaxys:2331082 Reaxys 2,3,5-trimethylphenyl methylcarbamate IUPAC 2,3,5-Trimethylphenol methylcarbamate ChemIDplus 2,3,5-Trimethylphenyl N-methylcarbamate NIST_Chemistry_WebBook methylcarbamic acid 2,3,5-trimethylphenyl ester ChEBI chebi_ontology CHEBI:38900 boron halide chebi_ontology CHEBI:38901 boron fluoride chebi_ontology dithioloquinoxalines CHEBI:38919 dithioloquinoxaline dithioloquinoxalines ChEBI chebi_ontology pyridoquinolines CHEBI:38921 pyridoquinoline pyridoquinolines ChEBI Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof. chebi_ontology CHEBI:38922 dibenzofurans chebi_ontology benzopteridines CHEBI:38925 benzopteridine benzopteridines ChEBI 0 C4H5N3O InChI=1S/C4H5N3O/c1-8-4-6-2-5-3-7-4/h2-3H,1H3 NCMONXLWVRSCBP-UHFFFAOYSA-N 111.10212 111.04326 COc1ncncn1 Beilstein:113090 2-methoxy-1,3,5-triazine chebi_ontology CHEBI:38929 2-methoxy-1,3,5-triazine Beilstein:113090 Beilstein 2-methoxy-1,3,5-triazine IUPAC 0 C4H7N5O InChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9) XVMFICQRQHBOOT-UHFFFAOYSA-N 141.13148 141.06506 COc1nc(N)nc(N)n1 Beilstein:136629 CAS:2827-45-4 6-methoxy-1,3,5-triazine-2,4-diamine chebi_ontology 2,4-diamino-6-methoxy-s-triazine 4,6-diamino-2-methoxy-s-triazine CHEBI:38930 6-methoxy-1,3,5-triazine-2,4-diamine Beilstein:136629 Beilstein CAS:2827-45-4 ChemIDplus 6-methoxy-1,3,5-triazine-2,4-diamine IUPAC 2,4-diamino-6-methoxy-s-triazine ChemIDplus 4,6-diamino-2-methoxy-s-triazine ChemIDplus Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring. pyridopyrimidine chebi_ontology pyridopyrimidines CHEBI:38932 pyridopyrimidine pyridopyrimidine ChEBI pyridopyrimidines ChEBI chebi_ontology purvalanols CHEBI:38934 purvalanol purvalanols ChEBI Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma. chebi_ontology antischistosoma antischistosomal drug schistosomicide schistosomicide drugs schistosomicides CHEBI:38941 schistosomicide drug antischistosoma ChEBI antischistosomal drug ChEBI schistosomicide ChEBI schistosomicide drugs ChEBI schistosomicides ChEBI 0 C8H20O5P2S2 InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 XIUROWKZWPIAIB-UHFFFAOYSA-N 322.32092 322.02274 CCOP(=S)(OCC)OP(=S)(OCC)OCC Beilstein:1714019 CAS:3689-24-5 KEGG:C18691 PPDB:604 O,O,O,O-tetraethyl dithiodiphosphate chebi_ontology Bis(O,O-diethylphosphorothionic) anhydride Dithion Dithiophos O,O,O,O-Tetraethyl dithiopyrophosphate Sulfotepp TEDP TEDTP Tetraethyl dithiopyrophosphate Thiodiphosphoric acid, tetraethyl ester CHEBI:38945 sulfotep Beilstein:1714019 Beilstein CAS:3689-24-5 ChemIDplus CAS:3689-24-5 KEGG COMPOUND CAS:3689-24-5 NIST Chemistry WebBook O,O,O,O-tetraethyl dithiodiphosphate IUPAC Bis(O,O-diethylphosphorothionic) anhydride NIST_Chemistry_WebBook Dithion ChemIDplus Dithiophos ChemIDplus O,O,O,O-Tetraethyl dithiopyrophosphate ChemIDplus Sulfotepp ChemIDplus TEDP ChemIDplus TEDTP ChemIDplus Tetraethyl dithiopyrophosphate ChemIDplus Thiodiphosphoric acid, tetraethyl ester ChemIDplus 0 H4O5P2S2 InChI=1S/H4O5P2S2/c1-6(2,8)5-7(3,4)9/h(H2,1,2,8)(H2,3,4,9) CIFZCCWGXMYJEU-UHFFFAOYSA-N 210.10828 209.89754 OP(O)(=S)OP(O)(O)=S CAS:36558-41-5 dithiodiphosphoric acid chebi_ontology bis(thiopyrophosphoric acid) CHEBI:38947 dithiodiphosphoric acid CAS:36558-41-5 ChemIDplus dithiodiphosphoric acid IUPAC bis(thiopyrophosphoric acid) ChemIDplus 0 C12H19O2PS3 InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3 JXHJNEJVUNHLKO-UHFFFAOYSA-N 322.44982 322.02848 CCCSP(=S)(OCC)Oc1ccc(SC)cc1 Beilstein:1990231 CAS:35400-43-2 KEGG:C19016 PPDB:607 O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl phosphorodithioate chebi_ontology Mercaprofos Mercaprophos Merpafos O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate Sulprophos CHEBI:38949 sulprofos Beilstein:1990231 Beilstein CAS:35400-43-2 ChemIDplus CAS:35400-43-2 KEGG COMPOUND O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl phosphorodithioate IUPAC Mercaprofos ChemIDplus Mercaprophos ChemIDplus Merpafos ChemIDplus O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester ChemIDplus O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate IUPAC Sulprophos ChemIDplus An organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. 0 C16H20O6P2S3 InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3 WWJZWCUNLNYYAU-UHFFFAOYSA-N 466.473 465.98973 S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC Beilstein:1896901 CAS:3383-96-8 KEGG:C18809 KEGG:D06062 LINCS:LSM-3148 PMID:27180726 PMID:27419140 PPDB:618 Pesticides:temephos VSDB:618 O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(phosphorothioate) temephos chebi_ontology Abate O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate) O,O'-(thiodi-4,1-phenylene) bis(O,O-dimethyl phosphorothioate) O,O,O',O'-tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate) O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate) O,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene bis(phosphorothioate) O,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate Phosphorothioic acid, O,O'-(thiodi-4,1-phenylene) O,O,O',O'-tetramethyl ester temefos CHEBI:38954 temephos Beilstein:1896901 Beilstein CAS:3383-96-8 Alan Wood's Pesticides CAS:3383-96-8 ChemIDplus CAS:3383-96-8 KEGG COMPOUND CAS:3383-96-8 NIST Chemistry WebBook PMID:27180726 Europe PMC PMID:27419140 Europe PMC Pesticides:temephos Alan Wood's Pesticides O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(phosphorothioate) IUPAC temephos ChEBI Abate ChemIDplus O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate) ChemIDplus O,O'-(thiodi-4,1-phenylene) bis(O,O-dimethyl phosphorothioate) Alan_Wood's_Pesticides O,O,O',O'-tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate) Alan_Wood's_Pesticides O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate) IUPAC O,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene bis(phosphorothioate) Alan_Wood's_Pesticides O,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate Alan_Wood's_Pesticides Phosphorothioic acid, O,O'-(thiodi-4,1-phenylene) O,O,O',O'-tetramethyl ester ChemIDplus temefos Alan_Wood's_Pesticides chebi_ontology ectoparasiticides CHEBI:38956 ectoparasiticide ectoparasiticides ChEBI 0 C12H10O2S InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H VWGKEVWFBOUAND-UHFFFAOYSA-N 218.27260 218.04015 Oc1ccc(Sc2ccc(O)cc2)cc1 Beilstein:2050739 CAS:2664-63-3 4,4'-sulfanediyldiphenol chebi_ontology 4,4'-Dihydroxydiphenyl sulfide Bis(4-oxyphenyl)sulfide p,p'-Dihydroxydiphenyl sulfide CHEBI:38957 4,4'-thiodiphenol Beilstein:2050739 Beilstein CAS:2664-63-3 ChemIDplus CAS:2664-63-3 NIST Chemistry WebBook 4,4'-sulfanediyldiphenol IUPAC 4,4'-Dihydroxydiphenyl sulfide ChemIDplus Bis(4-oxyphenyl)sulfide ChemIDplus p,p'-Dihydroxydiphenyl sulfide ChemIDplus An alkaloid containing an indole skeleton. CHEBI:24795 CHEBI:5901 KEGG:C06073 Wikipedia:Indole_alkaloid Indole alkaloid chebi_ontology indole alkaloids CHEBI:38958 indole alkaloid Indole alkaloid KEGG_COMPOUND indole alkaloids ChEBI An aryl sulfide that consists of two phenyl groups connected by a sulphur atom. 0 C12H10S InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H LTYMSROWYAPPGB-UHFFFAOYSA-N 186.27380 186.05032 S(c1ccccc1)c1ccccc1 Beilstein:1907932 CAS:139-66-2 PMID:11408364 PMID:19274297 Reaxys:1907932 1,1'-sulfanediyldibenzene chebi_ontology (Phenylsulfanyl)benzene 1,1'-Thiobis(benzene) Diphenyl monosulfide Diphenyl sulphide Diphenyl thioether Diphenylmercaptan Diphenylthiamethane Phenyl sulfide Phenylthiobenzene CHEBI:38959 diphenyl sulfide Beilstein:1907932 Beilstein CAS:139-66-2 ChemIDplus CAS:139-66-2 NIST Chemistry WebBook PMID:11408364 Europe PMC PMID:19274297 Europe PMC Reaxys:1907932 Reaxys 1,1'-sulfanediyldibenzene IUPAC (Phenylsulfanyl)benzene NIST_Chemistry_WebBook 1,1'-Thiobis(benzene) ChemIDplus Diphenyl monosulfide ChemIDplus Diphenyl sulphide ChemIDplus Diphenyl thioether ChemIDplus Diphenylmercaptan ChemIDplus Diphenylthiamethane ChemIDplus Phenyl sulfide ChemIDplus Phenylthiobenzene ChemIDplus 0 C8H8O InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6,9H,1H2 VEIIEWOTAHXGKS-UHFFFAOYSA-N 120.14852 120.05751 OC(=C)c1ccccc1 CAS:4383-15-7 1-phenylethenol chebi_ontology CHEBI:38961 1-phenylethenol CAS:4383-15-7 ChemIDplus 1-phenylethenol IUPAC Any alkylbenzene that is benzene substituted with one or more methyl groups. chebi_ontology methylbenzenes CHEBI:38975 methylbenzene methylbenzenes ChEBI A monocyclic arene that is benzene substituted with one or more alkyl groups. alkylbenzene chebi_ontology Alkylbenzol alkylbenzenes CHEBI:38976 alkylbenzene alkylbenzene ChEBI Alkylbenzol ChEBI alkylbenzenes ChEBI chebi_ontology GABA-gated chloride channel antagonists CHEBI:38999 GABA-gated chloride channel antagonist GABA-gated chloride channel antagonists ChEBI chebi_ontology sodium channel modulators CHEBI:39000 sodium channel modulator sodium channel modulators ChEBI Protein component on the surface of lipoprotein. chebi_ontology apolipoproteins CHEBI:39015 apolipoprotein apolipoproteins ChEBI A complex in which one component (the host) forms a cavity or, in the case of a crystal, a crystal lattice containing spaces in the shape of long tunnels or channels in which molecular entities of a second chemical species (the guest) are located. There is no covalent bonding between guest and host, the attraction being generally due to van der Waals forces. inclusion compound chebi_ontology compose d'inclusion compuesto de inclusion compuestos de inclusion inclusion complex inclusion compounds CHEBI:39022 inclusion compound inclusion compound IUPAC compose d'inclusion IUPAC compuesto de inclusion IUPAC compuestos de inclusion IUPAC inclusion complex IUPAC inclusion compounds ChEBI Inclusion compound in which the guest molecule is in a cage formed by the host molecule or by a lattice of host molecules. clathrates chebi_ontology Clathrat Clathratverbindung Klathrat Klathratverbindung cage compound clathrate clathrate compounds clatrato clatratos compuesto de clatrato CHEBI:39024 clathrate compound clathrates IUPAC Clathrat ChEBI Clathratverbindung ChEBI Klathrat ChEBI Klathratverbindung ChEBI cage compound IUPAC clathrate IUPAC clathrate compounds ChEBI clatrato IUPAC clatratos IUPAC compuesto de clatrato ChEBI A class of lipoproteins of small size (4-13 nm) and dense (greater than 1.063 g/ml) particles. They are synthesized in the liver without a lipid core, accumulate cholesterol esters from peripheral tissues and transport them to the liver for re-utilization or elimination from the body (the reverse cholesterol transport). chebi_ontology HDL alpha-lipoproteins high-density lipoproteins CHEBI:39025 high-density lipoprotein HDL ChEBI alpha-lipoproteins ChEBI high-density lipoproteins ChEBI A class of lipoproteins of small size (18-25 nm) and low density (1.019-1.063 g/ml) particles with a core composed mainly of cholesterol esters and smaller amounts of triglycerides. The surface monolayer consists mostly of phospholipids, a single copy of apolipoprotein B-100, and free cholesterol molecules. The main function of LDL is to transport cholesterol and cholesterol esters from the liver. Excessive levels are associated with cardiovascular disease. PMID:11082530 PMID:15583011 PMID:15913955 PMID:19349632 PMID:28401639 PMID:28432662 PMID:28792690 PMID:28827781 PMID:28847800 PMID:28859941 PMID:28870972 Wikipedia:Low-density_lipoprotein chebi_ontology LDL beta-lipoproteins low-density lipoproteins CHEBI:39026 low-density lipoprotein PMID:11082530 Europe PMC PMID:15583011 Europe PMC PMID:15913955 Europe PMC PMID:19349632 Europe PMC PMID:28401639 Europe PMC PMID:28432662 Europe PMC PMID:28792690 Europe PMC PMID:28827781 Europe PMC PMID:28847800 Europe PMC PMID:28859941 Europe PMC PMID:28870972 Europe PMC LDL ChEBI beta-lipoproteins ChEBI low-density lipoproteins ChEBI -1 C6H8NO6 InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-1 MGFYIUFZLHCRTH-UHFFFAOYSA-M 190.13086 190.03571 OC(=O)CN(CC(O)=O)CC([O-])=O Beilstein:6480945 [bis(carboxymethyl)amino]acetate dihydrogen 2,2',2''-nitrilotriacetate chebi_ontology H2nta(-) CHEBI:39053 nitrilotriacetate(1-) Beilstein:6480945 Beilstein [bis(carboxymethyl)amino]acetate IUPAC dihydrogen 2,2',2''-nitrilotriacetate IUPAC H2nta(-) IUPAC chebi_ontology nitrilotriacetate CHEBI:39054 NTA nitrilotriacetate ChEBI 0 C6H7NO6 189.123 189.02734 hydrogen 2,2',2''-nitrilotriacetate chebi_ontology Hnta(2-) CHEBI:39056 nitrilotriacetate(2-) hydrogen 2,2',2''-nitrilotriacetate IUPAC Hnta(2-) IUPAC 0 C10H6Cl8 InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8+,9-/m1/s1 BIWJNBZANLAXMG-IDTQJTQFSA-N 409.77624 405.79777 [H][C@@]12C[C@@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Beilstein:2221008 CAS:5103-71-9 (1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene chebi_ontology (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene (1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene alpha-Chlordane CHEBI:39068 cis-chlordane Beilstein:2221008 Beilstein CAS:5103-71-9 NIST Chemistry WebBook (1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene IUPAC (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene IUPAC (1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene NIST_Chemistry_WebBook alpha-Chlordane NIST_Chemistry_WebBook 0 C10H6Cl8 InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8+,9-/m1/s1 BIWJNBZANLAXMG-OESJLNMISA-N 409.77624 405.79777 [H][C@@]12C[C@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Beilstein:2221007 CAS:5103-74-2 (1S,2S,3aR,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene chebi_ontology (1R,2R,3S,4S,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene (1alpha,2beta,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene beta-Chlordane trans-gamma-Chlordane CHEBI:39069 trans-chlordane Beilstein:2221007 Beilstein CAS:5103-74-2 NIST Chemistry WebBook (1S,2S,3aR,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene IUPAC (1R,2R,3S,4S,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene IUPAC (1alpha,2beta,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene NIST_Chemistry_WebBook beta-Chlordane NIST_Chemistry_WebBook trans-gamma-Chlordane NIST_Chemistry_WebBook Any sulfur oxoacid derivative derived from sulfurous acid. sulfurous acid derivative chebi_ontology CHEBI:39087 sulfurous acid derivative sulfurous acid derivative ChEBI sulfite ester chebi_ontology sulfite esters CHEBI:39088 sulfite ester sulfite ester ChEBI sulfite esters ChEBI cyclic sulfite ester chebi_ontology cyclic sulfite esters CHEBI:39089 cyclic sulfite ester cyclic sulfite ester ChEBI cyclic sulfite esters ChEBI chebi_ontology phenylpyrazole insecticides CHEBI:39090 phenylpyrazole insecticide phenylpyrazole insecticides ChEBI chebi_ontology organophosphorus nematicides CHEBI:39092 organophosphorus nematicide organophosphorus nematicides ChEBI chebi_ontology organophosphorus pesticides CHEBI:39093 organophosphorus pesticide organophosphorus pesticides ChEBI chebi_ontology organophosphate nematicides CHEBI:39094 organophosphate nematicide organophosphate nematicides ChEBI 0 C6H6Cl6 InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1 JLYXXMFPNIAWKQ-SHFUYGGZSA-N 290.82804 287.86007 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl Beilstein:1907336 CAS:319-84-6 Gmelin:794031 KEGG:C15214 (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane alpha-hexachlorocyclohexane chebi_ontology (1alpha,2alpha,3beta,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane (1r,2c,3t,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane 1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane alpha-BHC alpha-HCH alpha-Lindane alpha-benzene hexachloride alpha-hexachlorane alpha-lindane CHEBI:39096 alpha-hexachlorocyclohexane Beilstein:1907336 Beilstein CAS:319-84-6 ChemIDplus CAS:319-84-6 KEGG COMPOUND CAS:319-84-6 NIST Chemistry WebBook Gmelin:794031 Gmelin (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane IUPAC alpha-hexachlorocyclohexane NIST_Chemistry_WebBook (1alpha,2alpha,3beta,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane ChEBI (1r,2c,3t,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane IUPAC 1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane KEGG_COMPOUND alpha-BHC ChemIDplus alpha-HCH KEGG_COMPOUND alpha-HCH NIST_Chemistry_WebBook alpha-Lindane KEGG_COMPOUND alpha-benzene hexachloride NIST_Chemistry_WebBook alpha-hexachlorane NIST_Chemistry_WebBook alpha-lindane NIST_Chemistry_WebBook 0 C7H5N3 131.135 131.04835 CAS:86089-80-7 benzotriazine chebi_ontology CHEBI:39097 benzotriazine CAS:86089-80-7 ChemIDplus benzotriazine IUPAC A trans-chrysanthemic acid in which both stereocentres have R configuration. 0 C10H16O2 InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1 XLOPRKKSAJMMEW-SFYZADRCSA-N 168.23284 168.11503 CC(C)=C[C@@H]1[C@@H](C(O)=O)C1(C)C Beilstein:2043419 Beilstein:4904351 CAS:10453-89-1 CAS:4638-92-0 KEGG:C09842 KNApSAcK:C00003031 LIPID_MAPS_instance:LMPR0102060001 PMID:16535302 PMID:19778353 PMID:22025062 PMID:7574629 (+)-trans-chrysanthemic acid (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid chebi_ontology (+)-(1R,3R)-2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid (+)-trans-Chrysanthemumsaeure (1R,3R)-chrysanthemic acid (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (1R-trans)-chrysanthemic acid (R,R)-chrysanthemic acid chrysanthemic acid d-trans-form CHEBI:39100 (+)-trans-chrysanthemic acid Beilstein:2043419 ChemIDplus Beilstein:4904351 Beilstein CAS:10453-89-1 KEGG COMPOUND CAS:4638-92-0 ChemIDplus LIPID_MAPS_instance:LMPR0102060001 LIPID MAPS PMID:16535302 Europe PMC PMID:19778353 Europe PMC PMID:22025062 Europe PMC PMID:7574629 Europe PMC (+)-trans-chrysanthemic acid ChemIDplus (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid IUPAC (+)-(1R,3R)-2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ChemIDplus (+)-trans-Chrysanthemumsaeure ChEBI (1R,3R)-chrysanthemic acid ChEBI (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid ChemIDplus (1R-trans)-chrysanthemic acid ChemIDplus (R,R)-chrysanthemic acid ChEBI chrysanthemic acid d-trans-form ChemIDplus 0 C10H16O2 168.233 168.11503 Beilstein:3196385 CAS:705-16-8 rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid chebi_ontology (1R,3R)-rel-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid chrysanthemic acid dl-trans-form trans-(1)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid trans-Chrysanthemumsaeure CHEBI:39101 trans-chrysanthemic acid Beilstein:3196385 Beilstein CAS:705-16-8 ChemIDplus rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid IUPAC (1R,3R)-rel-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid ChemIDplus chrysanthemic acid dl-trans-form ChemIDplus trans-(1)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid ChemIDplus trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid ChemIDplus trans-Chrysanthemumsaeure ChEBI 0 C10H16O2 InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m0/s1 XLOPRKKSAJMMEW-JGVFFNPUSA-N 168.23284 168.11503 CC(C)=C[C@H]1[C@H](C(O)=O)C1(C)C Beilstein:1862973 Beilstein:4904352 CAS:2259-14-5 (-)-trans-chrysanthemic acid (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid chebi_ontology (-)-trans-Chrysanthemumsaeure (1S-trans)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid l-trans-chrysanthemic acid CHEBI:39102 (-)-trans-chrysanthemic acid Beilstein:1862973 ChemIDplus Beilstein:4904352 Beilstein CAS:2259-14-5 ChemIDplus (-)-trans-chrysanthemic acid ChemIDplus (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid IUPAC (-)-trans-Chrysanthemumsaeure ChEBI (1S-trans)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid ChemIDplus (1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid ChemIDplus l-trans-chrysanthemic acid ChemIDplus 0 C10H16O2 168.233 168.11503 Beilstein:3196386 CAS:2935-23-1 rel-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid chebi_ontology (1R,3S)-rel-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid chrysanthemic acid dl-cis-form cis-(1)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid cis-Chrysanthemumsaeure CHEBI:39103 cis-chrysanthemic acid Beilstein:3196386 Beilstein CAS:2935-23-1 ChemIDplus rel-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid IUPAC (1R,3S)-rel-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid ChemIDplus chrysanthemic acid dl-cis-form ChemIDplus cis-(1)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid ChemIDplus cis-Chrysanthemumsaeure ChEBI An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. 0 C16H10 InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H BBEAQIROQSPTKN-UHFFFAOYSA-N 202.256 202.07825 C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 CHEBI:29860 CHEBI:34940 Beilstein:1307225 CAS:129-00-0 Chemspider:29153 Gmelin:84203 HMDB:HMDB0042002 KEGG:C14335 PDBeChem:8P0 PMID:12946434 PMID:16256641 PMID:16349406 PMID:17517702 PMID:18428918 PMID:18709924 PMID:20201423 PMID:22143550 PMID:22423596 PMID:24406158 PMID:30515937 PMID:30705306 PMID:31002512 PMID:31267635 PMID:31365239 PMID:31894420 PMID:32202393 PMID:32361518 PMID:33420172 PMID:33475661 PMID:33555637 PMID:33768634 PMID:33871775 PMID:7251688 PMID:7561049 Reaxys:1307225 Wikipedia:Pyrene Pyrene pyrene chebi_ontology Pyren benzo[def]phenanthrene beta-pyrene CHEBI:39106 pyrene Beilstein:1307225 Beilstein CAS:129-00-0 ChemIDplus CAS:129-00-0 KEGG COMPOUND CAS:129-00-0 NIST Chemistry WebBook Gmelin:84203 Gmelin PMID:12946434 Europe PMC PMID:16256641 Europe PMC PMID:16349406 Europe PMC PMID:17517702 Europe PMC PMID:18428918 Europe PMC PMID:18709924 Europe PMC PMID:20201423 Europe PMC PMID:22143550 Europe PMC PMID:22423596 Europe PMC PMID:24406158 Europe PMC PMID:30515937 Europe PMC PMID:30705306 Europe PMC PMID:31002512 Europe PMC PMID:31267635 Europe PMC PMID:31365239 Europe PMC PMID:31894420 Europe PMC PMID:32202393 Europe PMC PMID:32361518 Europe PMC PMID:33420172 Europe PMC PMID:33475661 Europe PMC PMID:33555637 Europe PMC PMID:33768634 Europe PMC PMID:33871775 Europe PMC PMID:7251688 Europe PMC PMID:7561049 Europe PMC Reaxys:1307225 Reaxys Pyrene KEGG_COMPOUND pyrene IUPAC Pyren ChemIDplus benzo[def]phenanthrene NIST_Chemistry_WebBook beta-pyrene NIST_Chemistry_WebBook chebi_ontology pyrethroid ester insecticides CHEBI:39116 pyrethroid ester insecticide pyrethroid ester insecticides ChEBI 0 C19H26O3 302.409 302.18819 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate chebi_ontology 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate CHEBI:39117 trans-allethrin 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC 0 C19H26O3 InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16?,17+/m1/s1 ZCVAOQKBXKSDMS-AQYZNVCMSA-N 302.40794 302.18819 CC(C)=C[C@@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Beilstein:2702992 CAS:28057-48-9 PPDB:80 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate chebi_ontology 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl trans-(+)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate d-trans-allethrin CHEBI:39118 (+)-trans-allethrin Beilstein:2702992 Beilstein CAS:28057-48-9 ChemIDplus 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester ChemIDplus 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl trans-(+)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate ChemIDplus 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC d-trans-allethrin ChemIDplus Ca 40.078 39.96259 calcium cation chebi_ontology calcium cations CHEBI:39123 calcium cation calcium cation ChEBI calcium cations ChEBI 0 Ca 40.078 39.96259 calcium ion chebi_ontology calcium ions CHEBI:39124 calcium ion calcium ion ChEBI calcium ions ChEBI Any magnesium ion that is positively charged. Mg 24.305 23.98504 magnesium cation chebi_ontology CHEBI:39127 magnesium cation magnesium cation ChEBI chebi_ontology CHEBI:39128 magnesium ion A molecular entity capable of donating a hydron to an acceptor (Bronsted base). Bronsted acid chebi_ontology Bronsted-Saeure acide de Bronsted donneur d'hydron hydron donor CHEBI:39141 Bronsted acid Bronsted acid IUPAC Bronsted-Saeure ChEBI acide de Bronsted IUPAC donneur d'hydron IUPAC hydron donor IUPAC A molecular entity capable of accepting a hydron from a donor (Bronsted acid). Bronsted base chebi_ontology Bronsted-Base accepteur d'hydron base de Bronsted hydron acceptor CHEBI:39142 Bronsted base Bronsted base IUPAC Bronsted-Base ChEBI accepteur d'hydron IUPAC base de Bronsted IUPAC hydron acceptor IUPAC Lewis acid A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct. Lewis base chebi_ontology Lewis-Base base de Lewis donneur d'une paire d'electrons electron donor CHEBI:39144 Lewis base Lewis base IUPAC Lewis-Base ChEBI base de Lewis IUPAC donneur d'une paire d'electrons ChEBI electron donor ChEBI trichostatin chebi_ontology trichostatins CHEBI:39146 trichostatin trichostatin ChEBI trichostatins ChEBI Any chlorocycloalkane that is cyclohexane substituted by at least one chlorine group. chebi_ontology CHEBI:39154 chlorocyclohexane A chlorohydrocarbon that is any cycloalkane substituted by at least one chloro group. chebi_ontology chlorocycloalkanes CHEBI:39155 chlorocycloalkane chlorocycloalkanes ChEBI 0 C17H21NO3 InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+ VKEITMNFEJHFCX-WKWSCTOISA-N 287.35358 287.15214 CC(C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O Beilstein:2386556 CAS:114127-17-2 (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid trichostatic acid chebi_ontology (+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid CHEBI:39157 trichostatic acid Beilstein:2386556 Beilstein CAS:114127-17-2 ChemIDplus (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid IUPAC trichostatic acid ChemIDplus (+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid ChemIDplus 0 C17H21NO3 InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m1/s1 VKEITMNFEJHFCX-QEQCGCAPSA-N 287.35358 287.15214 C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O Beilstein:5284073 Beilstein:6893749 (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid chebi_ontology (+)-Trichostatsaeure (+)-trichostatic acid CHEBI:39158 (R)-trichostatic acid Beilstein:5284073 Beilstein Beilstein:6893749 Beilstein (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid IUPAC (+)-Trichostatsaeure ChEBI (+)-trichostatic acid ChEBI 0 C17H21NO3 InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m0/s1 VKEITMNFEJHFCX-LEJRBOCMSA-N 287.35358 287.15214 C[C@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O Beilstein:5284074 (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid chebi_ontology (-)-Trichostatsaeure (-)-trichostatic acid CHEBI:39159 (S)-trichostatic acid Beilstein:5284074 Beilstein (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid IUPAC (-)-Trichostatsaeure ChEBI (-)-trichostatic acid ChEBI 0 C14H11Cl3 InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H ZADGQTHIZZOKGE-UHFFFAOYSA-N 285.59524 283.99263 ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1 Beilstein:1963701 CAS:2971-22-4 1,1'-(2,2,2-trichloroethane-1,1-diyl)dibenzene 1,1,1-trichloro-2,2-diphenylethane chebi_ontology 1,1'-(2,2,2-trichloroethylidene)bisbenzene 1,1'-(2,2,2-trichloroethylidene)dibenzene 1,1-diphenyl-2,2,2-trichloroethane 2,2-diphenyl-1,1,1-trichloroethane DPE DPT CHEBI:39161 1,1,1-trichloro-2,2-diphenylethane Beilstein:1963701 ChemIDplus CAS:2971-22-4 ChemIDplus CAS:2971-22-4 NIST Chemistry WebBook 1,1'-(2,2,2-trichloroethane-1,1-diyl)dibenzene IUPAC 1,1,1-trichloro-2,2-diphenylethane ChemIDplus 1,1'-(2,2,2-trichloroethylidene)bisbenzene NIST_Chemistry_WebBook 1,1'-(2,2,2-trichloroethylidene)dibenzene ChemIDplus 1,1-diphenyl-2,2,2-trichloroethane ChemIDplus 2,2-diphenyl-1,1,1-trichloroethane ChemIDplus DPE ChemIDplus DPT ChemIDplus A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration. 0 C10H14N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1 SNICXCGAKADSCV-SNVBAGLBSA-N 162.23160 162.11570 CN1CCC[C@@H]1c1cccnc1 Beilstein:4666243 Beilstein:82110 CAS:25162-00-9 KEGG:C16386 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine chebi_ontology (+)-nicotine (R)-3-(1-methyl-2-pyrrolidinyl)pyridine d-nicotine pseudonicotine CHEBI:39162 (R)-nicotine Beilstein:4666243 ChemIDplus Beilstein:4666243 ChemIDplus Beilstein:82110 Beilstein Beilstein:82110 Beilstein CAS:25162-00-9 ChemIDplus CAS:25162-00-9 ChemIDplus 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine IUPAC (+)-nicotine ChemIDplus (R)-3-(1-methyl-2-pyrrolidinyl)pyridine ChemIDplus d-nicotine ChemIDplus pseudonicotine ChemIDplus A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group. 0 C10H11ClN4 InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3 WCXDHFDTOYPNIE-UHFFFAOYSA-N 222.67400 222.06722 CN(Cc1ccc(Cl)nc1)C(C)=NC#N Beilstein:8546705 CAS:160430-64-8 PMID:24620941 PMID:24840877 PMID:25373182 Reaxys:8546705 N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide chebi_ontology N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide CHEBI:39163 acetamiprid Beilstein:8546705 Beilstein CAS:160430-64-8 ChemIDplus PMID:24620941 Europe PMC PMID:24840877 Europe PMC PMID:25373182 Europe PMC Reaxys:8546705 Reaxys N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide IUPAC N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide ChemIDplus The (E)-stereoisomer of acetamiprid. 0 C10H11ClN4 InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+ WCXDHFDTOYPNIE-RIYZIHGNSA-N 222.67400 222.06722 CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N Beilstein:8315700 CAS:135410-20-7 KEGG:C18507 PPDB:11 Pesticides:acetamiprid Reaxys:8315700 Wikipedia:Acetamiprid (1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide chebi_ontology (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide (E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine Acetamiprid CHEBI:39164 (E)-acetamiprid Beilstein:8315700 Beilstein CAS:135410-20-7 ChemIDplus CAS:135410-20-7 KEGG COMPOUND Pesticides:acetamiprid Alan Wood's Pesticides Reaxys:8315700 Reaxys (1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide IUPAC (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide ChemIDplus (E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine ChemIDplus Acetamiprid ChemIDplus 0 C10H11ClN4 InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8- WCXDHFDTOYPNIE-ZSOIEALJSA-N 222.67400 222.06722 CN(Cc1ccc(Cl)nc1)C(\C)=N/C#N Beilstein:8409860 (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide chebi_ontology CHEBI:39165 (Z)-acetamiprid Beilstein:8409860 Beilstein (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide IUPAC Any polyamine that contains four amino groups. chebi_ontology tetra-amine tetra-amines tetraamine tetraamines tetramines CHEBI:39166 tetramine tetra-amine ChEBI tetra-amines ChEBI tetraamine ChEBI tetraamines ChEBI tetramines ChEBI The E-isomer of imidacloprid. 0 C9H10ClN5O2 InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) YWTYJOPNNQFBPC-UHFFFAOYSA-N 255.660 255.05230 [O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1 Beilstein:8069674 CAS:138261-41-3 KEGG:C11110 PDBeChem:IM4 PMID:18338186 PMID:18477694 PMID:25267717 PPDB:397 Pesticides:imidacloprid VSDB:397 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine chebi_ontology CHEBI:39168 (E)-imidacloprid Beilstein:8069674 Beilstein CAS:138261-41-3 ChemIDplus CAS:138261-41-3 NIST Chemistry WebBook PMID:18338186 Europe PMC PMID:18477694 Europe PMC PMID:25267717 Europe PMC Pesticides:imidacloprid Alan Wood's Pesticides (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine IUPAC The Z-isomer of imidacloprid. 0 C9H10ClN5O2 InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) YWTYJOPNNQFBPC-UHFFFAOYSA-N 255.66100 255.05230 [O-][N+](=O)\N=C1\NCCN1Cc1ccc(Cl)nc1 Beilstein:8323128 (2Z)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine chebi_ontology CHEBI:39169 (Z)-imidacloprid Beilstein:8323128 Beilstein (2Z)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine IUPAC A chloropyridine in which only one chlorine is attached to the pyridine ring. 0 C5H4ClN 113.545 113.00323 chloropyridine chebi_ontology CHEBI:39172 monochloropyridine chloropyridine IUPAC Compounds containing a pyridine nucleus substituted with one or more chlorine atoms. chebi_ontology chloropyridines CHEBI:39173 chloropyridine chloropyridines ChEBI 0 C5H4ClN InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H OKDGRDCXVWSXDC-UHFFFAOYSA-N 113.54470 113.00323 Clc1ccccn1 Beilstein:105788 CAS:109-09-1 Gmelin:130818 2-chloropyridine chebi_ontology alpha-chloropyridine o-chloropyridine CHEBI:39174 2-chloropyridine Beilstein:105788 Beilstein CAS:109-09-1 ChemIDplus CAS:109-09-1 NIST Chemistry WebBook Gmelin:130818 Gmelin 2-chloropyridine IUPAC alpha-chloropyridine NIST_Chemistry_WebBook o-chloropyridine ChemIDplus A nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen. 0 C10H9ClN4S InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2 HOKKPVIRMVDYPB-UHFFFAOYSA-N 252.72412 252.02365 Clc1ccc(CN2CCSC2=NC#N)cn1 CHEBI:90201 Beilstein:8553379 CAS:111988-49-9 KEGG:C18512 PDBeChem:TH4 PMID:19937322 PMID:22677783 Patent:CN103404532 Patent:PT1715743 Reaxys:8553379 Thiacloprid {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide chebi_ontology (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide Calypso CHEBI:39175 thiacloprid Beilstein:8553379 Beilstein CAS:111988-49-9 ChemIDplus PMID:19937322 Europe PMC PMID:22677783 Europe PMC Reaxys:8553379 Reaxys Thiacloprid ChemIDplus {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide IUPAC (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide ChemIDplus Calypso ChemIDplus The (Z)-stereoisomer of thiacloprid. 0 C10H9ClN4S InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10- HOKKPVIRMVDYPB-UVTDQMKNSA-N 252.72412 252.02365 Clc1ccc(CN2CCS\C2=N/C#N)cn1 Beilstein:8983861 CAS:111988-49-9 KEGG:C18512 PDBeChem:TH4 PPDB:630 Pesticides:thiacloprid Wikipedia:Thiacloprid {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide chebi_ontology CHEBI:39176 (Z)-thiacloprid Beilstein:8983861 Beilstein CAS:111988-49-9 KEGG COMPOUND Pesticides:thiacloprid Alan Wood's Pesticides {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide IUPAC A clothiadin that has E configuration at the C=N bond of the nitroguanidine moiety. 0 C6H8ClN5O2S InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11) PGOOBECODWQEAB-UHFFFAOYSA-N 249.67800 249.00872 CN\C(NCc1cnc(Cl)s1)=N/[N+]([O-])=O Beilstein:8620724 CAS:205510-53-8 CAS:210880-92-5 KEGG:C18508 PDBeChem:CT4 PPDB:171 (E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine chebi_ontology (E)-N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitroguanidine Clothianidin CHEBI:39177 (E)-clothianidin Beilstein:8620724 Beilstein CAS:205510-53-8 ChemIDplus CAS:210880-92-5 ChemIDplus CAS:210880-92-5 KEGG COMPOUND (E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine IUPAC (E)-N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitroguanidine ChemIDplus Clothianidin ChemIDplus An N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3. 0 C6H8ClN5O2S InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11) PGOOBECODWQEAB-UHFFFAOYSA-N 249.67800 249.00872 CNC(NCc1cnc(Cl)s1)=N[N+]([O-])=O Beilstein:9196326 KEGG:C18508 PDBeChem:CT4 PMID:19583978 PMID:20824681 PMID:20873771 PMID:21404859 PMID:21510196 PMID:21538459 PMID:22025502 PMID:22076810 PMID:22083888 PMID:22235278 PMID:22253863 PMID:22286500 PMID:22290809 PMID:22311678 PMID:22431174 PMID:22459421 PMID:25828917 PMID:25835428 PMID:25839080 Pesticides:clothianidin Reaxys:9196326 Wikipedia:Clothianidin 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine chebi_ontology CLO CHEBI:39178 clothianidin Beilstein:9196326 Beilstein PMID:19583978 Europe PMC PMID:20824681 Europe PMC PMID:20873771 Europe PMC PMID:21404859 Europe PMC PMID:21510196 Europe PMC PMID:21538459 Europe PMC PMID:22025502 Europe PMC PMID:22076810 Europe PMC PMID:22083888 Europe PMC PMID:22235278 Europe PMC PMID:22253863 Europe PMC PMID:22286500 Europe PMC PMID:22290809 Europe PMC PMID:22311678 Europe PMC PMID:22431174 Europe PMC PMID:22459421 Europe PMC PMID:25828917 Europe PMC PMID:25835428 Europe PMC PMID:25839080 Europe PMC Pesticides:clothianidin Alan Wood's Pesticides Reaxys:9196326 Reaxys 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine IUPAC CLO ChEBI An N-nitro compound that is guanidine in which one of the hydrogens is replaced by a nitro group. It can exist in distinct tautomeric forms, as 1-nitroguanidine (a nitroimine) or 2-nitroguanidine (a nitroamine); in both solid and in solution, the nitroimine form predominates. 0 CH4N4O2 104.068 104.03343 CAS:556-88-7 Wikipedia:Nitroguanidine nitroguanidine chebi_ontology picrite CHEBI:39179 nitroguanidine CAS:556-88-7 ChemIDplus CAS:556-88-7 NIST Chemistry WebBook nitroguanidine IUPAC picrite NIST_Chemistry_WebBook 0 CH4N4O2 InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4) IDCPFAYURAQKDZ-UHFFFAOYSA-N 104.06810 104.03343 NC(=N)N[N+]([O-])=O Beilstein:1756640 Gmelin:164455 1-nitroguanidine chebi_ontology CHEBI:39180 1-nitroguanidine Beilstein:1756640 Beilstein Gmelin:164455 Gmelin 1-nitroguanidine IUPAC 0 CH4N4O2 InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4) IDCPFAYURAQKDZ-UHFFFAOYSA-N 104.06810 104.03343 NC(N)=N[N+]([O-])=O Beilstein:1853934 2-nitroguanidine chebi_ontology CHEBI:39181 2-nitroguanidine Beilstein:1853934 Beilstein 2-nitroguanidine IUPAC An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively. 0 C8H10ClN5O3S InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3 NWWZPOKUUAIXIW-UHFFFAOYSA-N 291.71500 291.01929 CN1COCN(Cc2cnc(Cl)s2)C1=N[N+]([O-])=O Beilstein:8555232 CAS:153719-23-4 KEGG:C18513 PMID:11695183 PMID:12075996 PMID:15716476 PMID:15716477 PMID:16652252 PMID:19459179 PMID:19481804 PMID:21681919 PMID:21713483 PMID:21870159 PMID:22065124 PMID:22404231 PMID:22461498 PMID:22489844 PMID:24700817 PMID:25132224 PMID:25348589 PMID:25528611 PMID:25529677 PMID:25626153 PMID:25655818 PMID:25710849 PMID:25825679 PMID:25884469 PPDB:631 Pesticides:thiamethoxam Reaxys:8555232 Wikipedia:Thiamethoxam 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine Thiamethoxam chebi_ontology 3-((2-chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine TMX CHEBI:39185 thiamethoxam Beilstein:8555232 Beilstein CAS:153719-23-4 ChemIDplus PMID:11695183 Europe PMC PMID:12075996 Europe PMC PMID:15716476 Europe PMC PMID:15716477 Europe PMC PMID:16652252 Europe PMC PMID:19459179 Europe PMC PMID:19481804 Europe PMC PMID:21681919 Europe PMC PMID:21713483 Europe PMC PMID:21870159 Europe PMC PMID:22065124 Europe PMC PMID:22404231 Europe PMC PMID:22461498 Europe PMC PMID:22489844 Europe PMC PMID:24700817 Europe PMC PMID:25132224 Europe PMC PMID:25348589 Europe PMC PMID:25528611 Europe PMC PMID:25529677 Europe PMC PMID:25626153 Europe PMC PMID:25655818 Europe PMC PMID:25710849 Europe PMC PMID:25825679 Europe PMC PMID:25884469 Europe PMC Pesticides:thiamethoxam Alan Wood's Pesticides Reaxys:8555232 Reaxys 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine IUPAC Thiamethoxam ChemIDplus 3-((2-chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine ChemIDplus TMX ChEBI 0 C8H10ClN5O3S InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+ NWWZPOKUUAIXIW-DHZHZOJOSA-N 291.71500 291.01929 CN1COCN(Cc2cnc(Cl)s2)\C1=N\[N+]([O-])=O Beilstein:8491021 CAS:153719-23-4 KEGG:C18513 (4E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine chebi_ontology CHEBI:39186 (E)-thiamethoxam Beilstein:8491021 Beilstein CAS:153719-23-4 KEGG COMPOUND (4E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine IUPAC 0 C3H2ClNS InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H KLEYVGWAORGTIT-UHFFFAOYSA-N 119.57342 118.95965 Clc1nccs1 Beilstein:105723 CAS:3034-52-4 2-chloro-1,3-thiazole 2-chlorothiazole chebi_ontology CHEBI:39187 2-chlorothiazole Beilstein:105723 Beilstein CAS:3034-52-4 ChemIDplus 2-chloro-1,3-thiazole IUPAC 2-chlorothiazole ChemIDplus chebi_ontology CHEBI:39189 organosulfur pesticide chebi_ontology CHEBI:39192 dithiolanes chebi_ontology CHEBI:39208 antibiotic insecticide chebi_ontology CHEBI:39209 macrolide insecticide chebi_ontology CHEBI:39213 avermectin insecticide Mixture of 80% avermectin B1a and 20% avermectin B1b. CAS:71751-41-2 Abamectin chebi_ontology Agri-Mek Avid MK 936 Zephyr avermectin B1 CHEBI:39214 abamectin CAS:71751-41-2 ChemIDplus Abamectin ChemIDplus Agri-Mek ChemIDplus Avid ChemIDplus MK 936 ChemIDplus Zephyr ChemIDplus avermectin B1 ChemIDplus chebi_ontology CHEBI:39215 antibiotic pesticide chebi_ontology CHEBI:39216 antibiotic acaricide chebi_ontology CHEBI:39217 antibiotic nematicide chebi_ontology CHEBI:39218 macrolide acaricide chebi_ontology CHEBI:39219 avermectin acaricide chebi_ontology CHEBI:39220 avermectin pesticide chebi_ontology CHEBI:39221 macrolide pesticide Compounds consisting wholly of chlorine and carbon. chlorocarbon chlorocarbons chebi_ontology chlorocarbons CHEBI:39226 chlorocarbon chlorocarbon ChEBI chlorocarbons IUPAC chlorocarbons ChEBI A member of the class of chloroethanes that is ethane in which all the hydrogens are replaced by chloro groups. 0 C2Cl6 InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8 VHHHONWQHHHLTI-UHFFFAOYSA-N 236.73760 233.81312 ClC(Cl)(Cl)C(Cl)(Cl)Cl Beilstein:1740341 CAS:67-72-1 Gmelin:26648 KEGG:C19248 MetaCyc:HEXACHLOROETHANE PMID:12169420 PMID:12695780 PMID:21852846 PMID:23942782 Patent:CN103086839 Patent:CN202185170 Reaxys:1740341 Wikipedia:Hexachloroethane hexachloroethane chebi_ontology 1,1,1,2,2,2-hexachloroethane C2Cl6 Hexachloraethan Hexachlorethan R-110 carbon hexachloride perchloroethane CHEBI:39227 hexachloroethane Beilstein:1740341 ChemIDplus CAS:67-72-1 ChemIDplus CAS:67-72-1 KEGG COMPOUND CAS:67-72-1 NIST Chemistry WebBook Gmelin:26648 Gmelin PMID:12169420 Europe PMC PMID:12695780 Europe PMC PMID:21852846 Europe PMC PMID:23942782 Europe PMC Reaxys:1740341 Reaxys hexachloroethane IUPAC 1,1,1,2,2,2-hexachloroethane ChemIDplus C2Cl6 IUPAC Hexachloraethan ChEBI Hexachlorethan ChEBI R-110 ChEBI carbon hexachloride NIST_Chemistry_WebBook perchloroethane NIST_Chemistry_WebBook An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. 0 C12H10O InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H USIUVYZYUHIAEV-UHFFFAOYSA-N 170.20720 170.07316 O(c1ccccc1)c1ccccc1 Beilstein:1364620 CAS:101-84-8 Gmelin:165477 HMDB:HMDB0034446 Reaxys:1364620 Wikipedia:Diphenyl_ether 1,1'-oxydibenzene diphenyl ether phenoxybenzene chebi_ontology 1,1'-oxybis(benzene) 1,1'-oxybisbenzene Diphenylaether Diphenylether Diphenyloxid diphenyl oxide oxybisbenzene phenyl ether CHEBI:39258 diphenyl ether Beilstein:1364620 ChemIDplus CAS:101-84-8 ChemIDplus CAS:101-84-8 NIST Chemistry WebBook Gmelin:165477 Gmelin Reaxys:1364620 Reaxys 1,1'-oxydibenzene IUPAC diphenyl ether NIST_Chemistry_WebBook phenoxybenzene IUPAC 1,1'-oxybis(benzene) ChemIDplus 1,1'-oxybisbenzene NIST_Chemistry_WebBook Diphenylaether ChEBI Diphenylether ChEBI Diphenyloxid ChEBI diphenyl oxide ChemIDplus oxybisbenzene ChemIDplus phenyl ether ChemIDplus chebi_ontology CHEBI:39259 pyrethroid ester acaricide 0 C12H10O2 186.207 186.06808 phenoxyphenol chebi_ontology CHEBI:39262 phenoxyphenol phenoxyphenol IUPAC 0 C12H10O2 InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H ZSBDGXGICLIJGD-UHFFFAOYSA-N 186.20660 186.06808 Oc1ccc(Oc2ccccc2)cc1 Beilstein:2047182 CAS:831-82-3 Gmelin:604158 4-phenoxyphenol chebi_ontology 4-hydroxydiphenyl ether p-hydroxydiphenyl ether p-phenoxyphenol CHEBI:39264 4-phenoxyphenol Beilstein:2047182 Beilstein CAS:831-82-3 ChemIDplus CAS:831-82-3 NIST Chemistry WebBook Gmelin:604158 Gmelin 4-phenoxyphenol IUPAC 4-hydroxydiphenyl ether ChemIDplus p-hydroxydiphenyl ether ChemIDplus p-phenoxyphenol NIST_Chemistry_WebBook chebi_ontology dibenzothiazepines CHEBI:39268 dibenzothiazepine dibenzothiazepines ChEBI A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae. 0 CH3Br InChI=1S/CH3Br/c1-2/h1H3 GZUXJHMPEANEGY-UHFFFAOYSA-N 94.93852 93.94181 [H]C([H])([H])Br Beilstein:1209223 CAS:74-83-9 FooDB:FDB008126 Gmelin:916 HMDB:HMDB0031524 KEGG:C18447 MetaCyc:CPD-12221 PDBeChem:BMM PMID:11878373 PMID:17265727 PMID:18853797 PMID:23800997 PMID:28614932 PMID:31832645 PMID:32067016 PMID:32245114 PMID:32745138 PPDB:462 Reaxys:1209223 Wikipedia:Bromomethane BROMOMETHANE bromomethane chebi_ontology Brommethan CH3Br Embafume MeBr Methylbromid Monobrommethan methyl bromide monobromomethane CHEBI:39275 bromomethane Beilstein:1209223 Beilstein CAS:74-83-9 ChemIDplus CAS:74-83-9 KEGG COMPOUND CAS:74-83-9 NIST Chemistry WebBook Gmelin:916 Gmelin PMID:11878373 Europe PMC PMID:17265727 Europe PMC PMID:18853797 Europe PMC PMID:23800997 Europe PMC PMID:28614932 Europe PMC PMID:31832645 Europe PMC PMID:32067016 Europe PMC PMID:32245114 Europe PMC PMID:32745138 Europe PMC Reaxys:1209223 Reaxys BROMOMETHANE PDBeChem bromomethane IUPAC bromomethane UniProt Brommethan ChEBI CH3Br IUPAC Embafume ChemIDplus MeBr IUPAC Methylbromid NIST_Chemistry_WebBook Monobrommethan ChEBI methyl bromide NIST_Chemistry_WebBook monobromomethane ChemIDplus A volatile or volatilizable chemical compound utilized for control of pests in buildings, soil, grain, as well as during processing of goods to be imported or exported to prevent transfer of exotic organisms. Wikipedia:Fumigation chebi_ontology fumigant pesticide fumigants CHEBI:39276 fumigant fumigant pesticide ChEBI fumigants ChEBI chebi_ontology fumigant insecticides CHEBI:39277 fumigant insecticide fumigant insecticides ChEBI A halomethane that is methane in which one or more hydrogens has been replaced by bromine. chebi_ontology CHEBI:39278 bromomethanes A haloalkane that is methane in which one (or more) of the hydrogens have been replaced by a halogen atom/halogen atoms. halomethane chebi_ontology halomethanes CHEBI:39279 halomethane halomethane ChEBI halomethanes ChEBI A halomethane that is methane in which one or more hydrogens has been replaced by fluorine. chebi_ontology CHEBI:39281 fluoromethanes A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine. 0 CH3I InChI=1S/CH3I/c1-2/h1H3 INQOMBQAUSQDDS-UHFFFAOYSA-N 141.93899 141.92795 [H]C([H])([H])I Beilstein:969135 CAS:74-88-4 Gmelin:1233 KEGG:C18448 PMID:19806715 PMID:8750905 PPDB:1233 Reaxys:969135 Wikipedia:Iodomethane iodomethane chebi_ontology CH3I Iodmethan Jod-methan MeI Methyliodid Methyljodid Monoiodmethan methyl iodide monoiodomethane CHEBI:39282 iodomethane Beilstein:969135 Beilstein CAS:74-88-4 ChemIDplus CAS:74-88-4 KEGG COMPOUND CAS:74-88-4 NIST Chemistry WebBook Gmelin:1233 Gmelin PMID:19806715 Europe PMC PMID:8750905 Europe PMC Reaxys:969135 Reaxys iodomethane IUPAC iodomethane UniProt CH3I IUPAC Iodmethan ChEBI Jod-methan NIST_Chemistry_WebBook MeI IUPAC Methyliodid ChEBI Methyljodid NIST_Chemistry_WebBook Monoiodmethan ChEBI methyl iodide ChemIDplus monoiodomethane NIST_Chemistry_WebBook A halomethane that is methane in which one or more hydrogens has been replaced by iodine. chebi_ontology CHEBI:39284 iodomethanes chloropicrin 0 F2O2S InChI=1S/F2O2S/c1-5(2,3)4 OBTWBSRJZRCYQV-UHFFFAOYSA-N 102.06161 101.95871 FS(F)(=O)=O CAS:2699-79-8 Gmelin:2095 PPDB:1569 difluoridodioxidosulfur sulfonyl difluoride sulfuryl difluoride chebi_ontology SF2O2 SO2F2 Sulfurylfluorid difluorodioxosulfur sulfonyl fluoride sulfur difluoride dioxide sulfur dioxide difluoride sulfuric oxyfluoride sulfuryl fluoride sulphuryl difluoride sulphuryl fluoride CHEBI:39287 sulfuryl difluoride CAS:2699-79-8 ChemIDplus CAS:2699-79-8 NIST Chemistry WebBook Gmelin:2095 Gmelin difluoridodioxidosulfur IUPAC sulfonyl difluoride IUPAC sulfuryl difluoride NIST_Chemistry_WebBook SF2O2 IUPAC SO2F2 NIST_Chemistry_WebBook Sulfurylfluorid ChEBI difluorodioxosulfur IUPAC sulfonyl fluoride NIST_Chemistry_WebBook sulfur difluoride dioxide ChemIDplus sulfur dioxide difluoride NIST_Chemistry_WebBook sulfuric oxyfluoride NIST_Chemistry_WebBook sulfuryl fluoride ChemIDplus sulphuryl difluoride ChemIDplus sulphuryl fluoride NIST_Chemistry_WebBook -3 AlF6 InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6 SEGUCIUJQMRTGG-UHFFFAOYSA-H 140.97196 140.97360 F[Al-3](F)(F)(F)(F)F CAS:21340-03-4 Gmelin:68810 MolBase:790 hexafluoridoaluminate(3-) chebi_ontology (OC-6-11)-hexafluoroaluminate(3-) AlF6(3-) [AlF6](3-) CHEBI:39288 hexafluoroaluminate(3-) CAS:21340-03-4 ChemIDplus Gmelin:68810 Gmelin hexafluoridoaluminate(3-) IUPAC (OC-6-11)-hexafluoroaluminate(3-) ChemIDplus AlF6(3-) ChEBI [AlF6](3-) MolBase 0 AlF6Na3 InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 REHXRBDMVPYGJX-UHFFFAOYSA-H 209.94127 209.94127 [Na+].[Na+].[Na+].F[Al-3](F)(F)(F)(F)F BPDB:2543 CAS:13775-53-6 CAS:15096-52-3 KEGG:C18816 sodium hexafluoridoaluminate(3-) sodium hexafluoridoaluminate(III) trisodium hexafluoridoaluminate trisodium hexafluoroaluminate chebi_ontology Aluminum sodium fluoride Na3AlF6 Na3[AlF6] aluminum trisodium hexafluoride sodium aluminum fluoride sodium aluminum hexafluoride sodium fluoroaluminate(3-) sodium hexafluoroaluminate trisodium (OC-6-11)-hexafluoroaluminate(3-) trisodium aluminum hexafluoride trisodium hexafluoroaluminate(3-) CHEBI:39289 trisodium hexafluoroaluminate CAS:13775-53-6 ChemIDplus CAS:15096-52-3 KEGG COMPOUND sodium hexafluoridoaluminate(3-) IUPAC sodium hexafluoridoaluminate(III) IUPAC trisodium hexafluoridoaluminate IUPAC trisodium hexafluoroaluminate ChemIDplus Aluminum sodium fluoride KEGG_COMPOUND Na3AlF6 IUPAC Na3[AlF6] IUPAC aluminum trisodium hexafluoride ChemIDplus sodium aluminum fluoride ChemIDplus sodium aluminum hexafluoride ChemIDplus sodium fluoroaluminate(3-) ChemIDplus sodium hexafluoroaluminate ChemIDplus trisodium (OC-6-11)-hexafluoroaluminate(3-) ChemIDplus trisodium aluminum hexafluoride ChemIDplus trisodium hexafluoroaluminate(3-) ChemIDplus A pyridinecarboxamide that is nicotinamide substituted by a trifluoromethyl group at position 4 and a cyanomethyl group at the carbamoyl nitrogen atom. 0 C9H6F3N3O InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16) RLQJEEJISHYWON-UHFFFAOYSA-N 229.15877 229.04630 FC(F)(F)c1ccncc1C(=O)NCC#N CAS:158062-67-0 KEGG:C18463 PMID:20053120 PMID:24408346 PMID:24679799 PPDB:321 Pesticides:flonicamid Reaxys:11343090 Flonicamid N-(cyanomethyl)-4-(trifluoromethyl)nicotinamide chebi_ontology CHEBI:39291 flonicamid CAS:158062-67-0 ChemIDplus CAS:158062-67-0 KEGG COMPOUND PMID:20053120 Europe PMC PMID:24408346 Europe PMC PMID:24679799 Europe PMC Pesticides:flonicamid Alan Wood's Pesticides Reaxys:11343090 Reaxys Flonicamid ChemIDplus N-(cyanomethyl)-4-(trifluoromethyl)nicotinamide IUPAC chebi_ontology CHEBI:39292 organotin acaricide chebi_ontology CHEBI:39293 organotin pesticide 0 C60H78OSn2 InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;; HOXINJBQVZWYGZ-UHFFFAOYSA-N 1052.68072 1054.40967 CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1 Beilstein:4097400 CAS:13356-08-6 Gmelin:1585258 Gmelin:1825781 Gmelin:27103 KEGG:C15435 PPDB:294 fenbutatin oxide hexakis(2-methyl-2-phenylpropyl)distannoxane chebi_ontology Bis[tris(2-methyl-2-phenylpropyl)tin]oxide SD 14114 Torque Vendex bis(tris(2-methyl-2-phenylpropyl)tin)oxide di(tri-(2,2-dimethyl-2-phenylethyl)tin)oxide hexakis(beta,beta-dimethylphenethyl)distannoxane CHEBI:39294 fenbutatin oxide Beilstein:4097400 ChemIDplus CAS:13356-08-6 ChemIDplus CAS:13356-08-6 KEGG COMPOUND CAS:13356-08-6 NIST Chemistry WebBook Gmelin:1585258 Gmelin Gmelin:1825781 Gmelin Gmelin:27103 Gmelin fenbutatin oxide ChemIDplus hexakis(2-methyl-2-phenylpropyl)distannoxane IUPAC Bis[tris(2-methyl-2-phenylpropyl)tin]oxide KEGG_COMPOUND SD 14114 ChemIDplus Torque ChemIDplus Vendex ChemIDplus bis(tris(2-methyl-2-phenylpropyl)tin)oxide ChemIDplus di(tri-(2,2-dimethyl-2-phenylethyl)tin)oxide ChemIDplus hexakis(beta,beta-dimethylphenethyl)distannoxane ChemIDplus chebi_ontology CHEBI:39298 organosulfur acaricide 0 C19H26O4S InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3 ZYHMJXZULPZUED-UHFFFAOYSA-N 350.47334 350.15518 CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1 Beilstein:6934289 CAS:2312-35-8 KEGG:C18602 PPDB:547 2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite Propargite chebi_ontology 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulfite 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite 2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl sulfite 2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite BPPS CHEBI:39300 propargite Beilstein:6934289 Beilstein CAS:2312-35-8 ChemIDplus CAS:2312-35-8 KEGG COMPOUND 2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite IUPAC Propargite ChemIDplus 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulfite ChemIDplus 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite ChemIDplus 2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite ChemIDplus 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl sulfite ChemIDplus 2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite ChemIDplus BPPS ChemIDplus BPPS KEGG_COMPOUND chebi_ontology CHEBI:39301 sulfite ester acaricide 0 C8H10Cl2O2 InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12) LLMLSUSAKZVFOA-UHFFFAOYSA-N 209.06920 208.00579 CC1(C)C(C=C(Cl)Cl)C1C(O)=O Beilstein:2046523 CAS:55701-05-8 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid chebi_ontology CHEBI:39308 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid Beilstein:2046523 Beilstein CAS:55701-05-8 ChemIDplus 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid IUPAC A member of the class of 1,2,4-triazines that is 4,5-dihydro-1,2,4-triazin-3(2H)-one substituted by a methyl group at position 6 and a (pyridin-3-ylmethylidene)amino group at position 4. 0 C10H11N5O InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+ QHMTXANCGGJZRX-WUXMJOGZSA-N 217.22744 217.09636 CC1=NNC(=O)N(C1)\N=C\c1cccnc1 Beilstein:7814151 CAS:123312-89-0 KEGG:C18590 PMID:16339866 PMID:18330119 PPDB:562 Pesticides:pymetrozine Reaxys:7814151 6-methyl-4-{[(1E)-pyridin-3-ylmethylene]amino}-4,5-dihydro-1,2,4-triazin-3(2H)-one Pymetrozine pymetrozine chebi_ontology (E)-4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one CHEBI:39311 pymetrozine Beilstein:7814151 Beilstein CAS:123312-89-0 ChemIDplus CAS:123312-89-0 KEGG COMPOUND PMID:16339866 Europe PMC PMID:18330119 Europe PMC Pesticides:pymetrozine Alan Wood's Pesticides Reaxys:7814151 Reaxys 6-methyl-4-{[(1E)-pyridin-3-ylmethylene]amino}-4,5-dihydro-1,2,4-triazin-3(2H)-one IUPAC Pymetrozine ChemIDplus pymetrozine ChEBI (E)-4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one ChemIDplus chebi_ontology CHEBI:39316 mite growth regulator Any chemical substance that inhibits the life-cycle of an organism. chebi_ontology growth regulators CHEBI:39317 growth regulator growth regulators ChEBI chebi_ontology CHEBI:39318 tetrazine acaricide An organofluorine compound consisting of cyclopropanecarboxylic acid having a 2-chloro-3,3,3-trifluoroprop-1-en-1-yl group at the 3-position and two methyl groups at the 2-position. 0 C9H10ClF3O2 InChI=1S/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15) SPVZAYWHHVLPBN-UHFFFAOYSA-N 242.62241 242.03214 CC1(C)C(C=C(Cl)C(F)(F)F)C1C(O)=O Beilstein:1969652 CAS:74609-46-4 Reaxys:1969652 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid chebi_ontology CHEBI:39319 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid Beilstein:1969652 Beilstein CAS:74609-46-4 ChemIDplus Reaxys:1969652 Reaxys 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid ChEBI 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid IUPAC A monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position. 0 C11H13ClO2 InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14) VTJMSIIXXKNIDJ-UHFFFAOYSA-N 212.67242 212.06041 CC(C)C(C(O)=O)c1ccc(Cl)cc1 CAS:2012-74-0 2-(4-chlorophenyl)-3-methylbutanoic acid chebi_ontology CHEBI:39345 2-(4-chlorophenyl)-3-methylbutyric acid CAS:2012-74-0 ChemIDplus 2-(4-chlorophenyl)-3-methylbutanoic acid IUPAC A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. 0 C7H6N2O5 InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 ZXVONLUNISGICL-UHFFFAOYSA-N 198.13290 198.02767 Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Beilstein:2054389 CAS:534-52-1 KEGG:C18653 PMID:11775154 PMID:1960763 PPDB:261 Reaxys:2054389 2-methyl-4,6-dinitrophenol 4,6-Dinitro-o-cresol 4,6-dinitro-o-cresol chebi_ontology 2,4-Dinitro-6-methylphenol 3,5-dinitro-2-hydroxytoluene 6-methyl-2,4-dinitrophenol Antinonnin DNOC CHEBI:39349 4,6-dinitro-o-cresol Beilstein:2054389 ChemIDplus CAS:534-52-1 ChemIDplus CAS:534-52-1 KEGG COMPOUND CAS:534-52-1 NIST Chemistry WebBook PMID:11775154 Europe PMC PMID:1960763 Europe PMC Reaxys:2054389 Reaxys 2-methyl-4,6-dinitrophenol IUPAC 4,6-Dinitro-o-cresol KEGG_COMPOUND 4,6-dinitro-o-cresol NIST_Chemistry_WebBook 2,4-Dinitro-6-methylphenol KEGG_COMPOUND 3,5-dinitro-2-hydroxytoluene ChemIDplus 6-methyl-2,4-dinitrophenol NIST_Chemistry_WebBook Antinonnin NIST_Chemistry_WebBook DNOC ChemIDplus chebi_ontology pyrethroid ether insecticides CHEBI:39351 pyrethroid ether insecticide pyrethroid ether insecticides ChEBI Members of the class of nitrophenol carrying two nitro substituents. 0 C6H4N2O5 184.107 184.01202 CAS:25550-58-7 dinitrophenol chebi_ontology dinitrophenols CHEBI:39352 dinitrophenol CAS:25550-58-7 ChemIDplus dinitrophenol IUPAC dinitrophenols ChEBI A cyclopropanecarboxylate ester obtained by formal condensation between 2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. 0 C22H23NO3 InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3 XQUXKZZNEFRCAW-UHFFFAOYSA-N 349.42296 349.16779 CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C Beilstein:2673776 CAS:39515-41-8 KEGG:C18411 PMID:10552511 PMID:12952428 PMID:18808096 PMID:20640937 PMID:21052987 PMID:21181490 PMID:21370394 PMID:21381771 PMID:21404693 PMID:21503692 PMID:21727000 PMID:21785877 PMID:8571384 PPDB:306 Patent:DE2231312 Patent:US3835176 Reaxys:2673776 cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate chebi_ontology (+-)-fenpropathrin 2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester Meothrin CHEBI:39353 fenpropathrin Beilstein:2673776 Beilstein CAS:39515-41-8 ChemIDplus CAS:39515-41-8 KEGG COMPOUND PMID:10552511 Europe PMC PMID:12952428 Europe PMC PMID:18808096 Europe PMC PMID:20640937 Europe PMC PMID:21052987 Europe PMC PMID:21181490 Europe PMC PMID:21370394 Europe PMC PMID:21381771 Europe PMC PMID:21404693 Europe PMC PMID:21503692 Europe PMC PMID:21727000 Europe PMC PMID:21785877 Europe PMC PMID:8571384 Europe PMC Reaxys:2673776 Reaxys cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate IUPAC (+-)-fenpropathrin ChemIDplus 2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester ChemIDplus Meothrin ChemIDplus A monocarboxylic acid consisting of cyclopropanecarboxylic acid having four methyl substituents. 0 C8H14O2 InChI=1S/C8H14O2/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3,(H,9,10) SFHVXKNMCGSLAR-UHFFFAOYSA-N 142.19556 142.09938 CC1(C)C(C(O)=O)C1(C)C CAS:15641-58-4 2,2,3,3-tetramethylcyclopropanecarboxylic acid chebi_ontology CHEBI:39355 2,2,3,3-tetramethylcyclopropanecarboxylic acid CAS:15641-58-4 ChemIDplus 2,2,3,3-tetramethylcyclopropanecarboxylic acid IUPAC A nitrophenol that is phenol carrying a single nitro substituent at unspecified position. 0 C6H5NO3 139.109 139.02694 CAS:25154-55-6 mononitrophenol nitrophenol chebi_ontology hydroxynitrobenzenes nitrophenols CHEBI:39362 mononitrophenol CAS:25154-55-6 ChemIDplus mononitrophenol ChemIDplus nitrophenol IUPAC hydroxynitrobenzenes ChemIDplus nitrophenols ChemIDplus chebi_ontology CHEBI:39363 dinitrophenol acaricide chebi_ontology CHEBI:39364 dinitrophenol pesticide chebi_ontology CHEBI:39365 organonitrogen pesticide chebi_ontology CHEBI:39366 organonitrogen acaricide chebi_ontology pyrethroid ether acaricides CHEBI:39369 pyrethroid ether acaricide pyrethroid ether acaricides ChEBI chebi_ontology CHEBI:39378 homopteran inhibitor of chitin biosynthesis chebi_ontology CHEBI:39379 lepidopteran inhibitor of chitin biosynthesis A N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom. 0 C14H6Cl2F4N2O2 InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24) CJDWRQLODFKPEL-UHFFFAOYSA-N 381.10873 379.97425 Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1F Beilstein:8229925 CAS:83121-18-0 CAS:99039-56-2 KEGG:C18437 PMID:22641111 PMID:23581694 PMID:24555954 PPDB:616 Pesticides:teflubenzuron Reaxys:8229925 VSDB:616 N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide Teflubenzuron chebi_ontology 1-(3,5-dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)urea N-{[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl}-2,6-difluorobenzamide CHEBI:39387 teflubenzuron Beilstein:8229925 Beilstein CAS:83121-18-0 ChemIDplus CAS:83121-18-0 KEGG COMPOUND CAS:99039-56-2 ChemIDplus PMID:22641111 Europe PMC PMID:23581694 Europe PMC PMID:24555954 Europe PMC Pesticides:teflubenzuron Alan Wood's Pesticides Reaxys:8229925 Reaxys N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide IUPAC Teflubenzuron ChemIDplus 1-(3,5-dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)urea ChemIDplus N-{[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl}-2,6-difluorobenzamide IUPAC 0 C19H25NO4 InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3 CXBMCYHAMVGWJQ-UHFFFAOYSA-N 331.40614 331.17836 CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Beilstein:1547171 CAS:7696-12-0 Drug_Central:4730 KEGG:C18373 KEGG:D07368 PPDB:628 (1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate chebi_ontology Neo-pynamin Neopinamin Phthalthrin CHEBI:39397 tetramethrin Beilstein:1547171 Beilstein CAS:7696-12-0 ChemIDplus CAS:7696-12-0 KEGG COMPOUND Drug_Central:4730 DrugCentral (1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC Neo-pynamin KEGG_COMPOUND Neopinamin ChemIDplus Phthalthrin KEGG_COMPOUND chebi_ontology phthalimide insecticides CHEBI:39398 phthalimide insecticide phthalimide insecticides ChEBI Any compound with a 1,2,4-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 2 and 4 of the core benzene ring structure. PMID:20194696 chebi_ontology CHEBI:39410 1,2,4-triazines PMID:20194696 Europe PMC chebi_ontology bridged diphenyl acaricides CHEBI:39412 bridged diphenyl acaricide bridged diphenyl acaricides ChEBI chebi_ontology dinitrophenol insecticides CHEBI:39415 dinitrophenol insecticide dinitrophenol insecticides ChEBI An N-acylurea that is urea in which one of the hydrogens is replaced by a benzoyl group. 0 C8H8N2O2 InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) HRYILSDLIGTCOP-UHFFFAOYSA-N 164.16140 164.05858 NC(=O)NC(=O)c1ccccc1 Beilstein:2045538 CAS:614-22-2 Reaxys:2045538 N-carbamoylbenzamide chebi_ontology 1-Benzoylurea Benzoylurea N-(aminocarbonyl)benzamide CHEBI:39416 N-benzoylurea Beilstein:2045538 Beilstein CAS:614-22-2 ChemIDplus Reaxys:2045538 Reaxys N-carbamoylbenzamide IUPAC 1-Benzoylurea ChemIDplus Benzoylurea ChemIDplus N-(aminocarbonyl)benzamide ChemIDplus Any saturated fatty acid with a carbon side-chain or isopropyl termination. branched-chain saturated fatty acid chebi_ontology branched saturated fatty acid branched saturated fatty acids branched-chain saturated fatty acids CHEBI:39417 branched-chain saturated fatty acid branched-chain saturated fatty acid ChEBI branched saturated fatty acid ChEBI branched saturated fatty acids ChEBI branched-chain saturated fatty acids ChEBI Any saturated fatty acid lacking a side-chain. PMID:15644336 straight-chain saturated fatty acid chebi_ontology straight-chain saturated fatty acids CHEBI:39418 straight-chain saturated fatty acid PMID:15644336 Europe PMC straight-chain saturated fatty acid ChEBI straight-chain saturated fatty acids ChEBI A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. 0 C8HF17O3S InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28) YFSUTJLHUFNCNZ-UHFFFAOYSA-N 500.13000 499.93749 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1813859 CAS:1763-23-1 Gmelin:580137 HMDB:HMDB0059586 KEGG:C18142 Reaxys:1813859 Wikipedia:Perfluorooctanesulfonic_acid 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid chebi_ontology 1-perfluorooctanesulfonic acid PFOS Perfluorooctylsulfonic acid heptadecafluoro-1-octanesulfonic acid perfluorooctanesulfonic acid perfluorooctylsulfonic acid CHEBI:39421 perfluorooctane-1-sulfonic acid Beilstein:1813859 Beilstein CAS:1763-23-1 ChemIDplus CAS:1763-23-1 KEGG COMPOUND Gmelin:580137 Gmelin Reaxys:1813859 Reaxys 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid IUPAC 1-perfluorooctanesulfonic acid ChemIDplus PFOS ChemIDplus PFOS KEGG_COMPOUND Perfluorooctylsulfonic acid KEGG_COMPOUND heptadecafluoro-1-octanesulfonic acid ChemIDplus perfluorooctanesulfonic acid HMDB perfluorooctylsulfonic acid ChemIDplus 0 C8H18O3S InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11) WLGDAKIJYPIYLR-UHFFFAOYSA-N 194.29272 194.09767 CCCCCCCCS(O)(=O)=O Beilstein:1764338 CAS:3944-72-7 octane-1-sulfonic acid chebi_ontology CHEBI:39422 octane-1-sulfonic acid Beilstein:1764338 Beilstein CAS:3944-72-7 ChemIDplus octane-1-sulfonic acid IUPAC A monocarboxylic acid that is perfluorinated butyric acid. 0 C4HF7O2 InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) YPJUNDFVDDCYIH-UHFFFAOYSA-N 214.03840 213.98648 OC(=O)C(F)(F)C(F)(F)C(F)(F)F Beilstein:1426882 CAS:375-22-4 PMID:24114467 PMID:24756992 Reaxys:1426882 Wikipedia:Heptafluorobutyric_acid heptafluorobutanoic acid chebi_ontology Heptafluoro-1-butanoic acid Heptafluorobutyric acid Perfluorobutanoic acid Perfluoropropanecarboxylic acid CHEBI:39426 perfluorobutyric acid Beilstein:1426882 Beilstein CAS:375-22-4 ChemIDplus PMID:24114467 Europe PMC PMID:24756992 Europe PMC Reaxys:1426882 Reaxys heptafluorobutanoic acid IUPAC Heptafluoro-1-butanoic acid ChemIDplus Heptafluorobutyric acid ChemIDplus Perfluorobutanoic acid ChemIDplus Perfluoropropanecarboxylic acid ChemIDplus A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. 0 C3F6O InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9 VBZWSGALLODQNC-UHFFFAOYSA-N 166.02192 165.98533 FC(F)(F)C(=O)C(F)(F)F Beilstein:607236 CAS:684-16-2 Gmelin:27263 PMID:22481381 PMID:24186328 Patent:CN102964231 Patent:CN102976908 Reaxys:607236 Wikipedia:Hexafluoroacetone 1,1,1,3,3,3-hexafluoroacetone chebi_ontology (CF3)2CO 1,1,1,3,3,3-hexafluoro-2-propanone 6FK hexafluoropropanone perfluoro-2-propanone perfluoroacetone CHEBI:39429 hexafluoroacetone Beilstein:607236 Beilstein CAS:684-16-2 ChemIDplus CAS:684-16-2 NIST Chemistry WebBook Gmelin:27263 Gmelin PMID:22481381 Europe PMC PMID:24186328 Europe PMC Reaxys:607236 Reaxys 1,1,1,3,3,3-hexafluoroacetone IUPAC (CF3)2CO NIST_Chemistry_WebBook 1,1,1,3,3,3-hexafluoro-2-propanone ChemIDplus 6FK ChemIDplus hexafluoropropanone NIST_Chemistry_WebBook perfluoro-2-propanone ChemIDplus perfluoroacetone ChemIDplus chebi_ontology dioxolanes CHEBI:39430 dioxolane dioxolanes ChEBI A chromanol with a chroman-6-ol skeleton that is substituted at position 2 by a saturated or triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. CHEBI:27010 CHEBI:27011 CAS:119-98-2 Reaxys:1436460 chebi_ontology 2-methyl-2-phytyl-6-chromanol tocols CHEBI:39437 tocol CAS:119-98-2 ChemIDplus Reaxys:1436460 Reaxys 2-methyl-2-phytyl-6-chromanol ChemIDplus tocols ChEBI A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy. chebi_ontology CHEBI:39442 fluorescent probe sulfuryl halide chebi_ontology sulfonyl halide sulfonyl halides sulfuryl halides CHEBI:39443 sulfuryl halide sulfuryl halide ChEBI sulfonyl halide ChEBI sulfonyl halides ChEBI sulfuryl halides ChEBI Compounds containing a group =N2 attached to a single carbon atom. They are named by adding the prefix 'diazo-' to the name of the parent hydride or functional parent. diazo compounds chebi_ontology diazo compounds CHEBI:39444 diazo compound diazo compounds IUPAC diazo compounds ChEBI Any compound having a pyrimidine as part of its structure. CHEBI:13681 CHEBI:26448 chebi_ontology CHEBI:39447 pyrimidines Any azaalkane in which two or more carbons in the chain are replaced by nitrogen. chebi_ontology polyazaalkanes CHEBI:39474 polyazaalkane polyazaalkanes ChEBI A butadiene with unsaturation at positions 1 and 3. 0 C4H6 InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2 KAKZBPTYRLMSJV-UHFFFAOYSA-N 54.09044 54.04695 C=CC=C Beilstein:605258 CAS:106-99-0 Gmelin:25198 HMDB:HMDB0041792 KEGG:C16450 PMID:11018742 PMID:11397424 PMID:7520987 PMID:7859343 PPDB:1636 Reaxys:605258 Wikipedia:1,3-Butadiene buta-1,3-diene chebi_ontology 1,3-Butadien 1,3-butadiene Buta-1,3-dien CH2=CH-CH=CH2 alpha,gamma-butadiene bivinyl divinyl vinylethylene CHEBI:39478 buta-1,3-diene Beilstein:605258 Beilstein CAS:106-99-0 ChemIDplus CAS:106-99-0 KEGG COMPOUND CAS:106-99-0 NIST Chemistry WebBook Gmelin:25198 Gmelin PMID:11018742 Europe PMC PMID:11397424 Europe PMC PMID:7520987 Europe PMC PMID:7859343 Europe PMC Reaxys:605258 Reaxys buta-1,3-diene IUPAC 1,3-Butadien ChEBI 1,3-butadiene ChemIDplus Buta-1,3-dien ChEBI CH2=CH-CH=CH2 IUPAC alpha,gamma-butadiene NIST_Chemistry_WebBook bivinyl ChemIDplus divinyl NIST_Chemistry_WebBook vinylethylene ChemIDplus 0 C4H6 54.091 54.04695 butadiene chebi_ontology Butadien CHEBI:39479 butadiene butadiene IUPAC Butadien ChEBI 0 C4H5Cl InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 YACLQRRMGMJLJV-UHFFFAOYSA-N 88.53520 88.00798 ClC(=C)C=C Beilstein:741875 CAS:126-99-8 Gmelin:277888 KEGG:C19208 2-chlorobuta-1,3-diene chloroprene chebi_ontology 2-Chlor-1,3-butadien 2-Chloro-1,3-butadiene 2-chloro-1,3-butadiene 2-chlorobutadiene CHEBI:39481 chloroprene Beilstein:741875 Beilstein CAS:126-99-8 ChemIDplus CAS:126-99-8 KEGG COMPOUND CAS:126-99-8 NIST Chemistry WebBook Gmelin:277888 Gmelin 2-chlorobuta-1,3-diene IUPAC chloroprene ChemIDplus 2-Chlor-1,3-butadien NIST_Chemistry_WebBook 2-Chloro-1,3-butadiene KEGG_COMPOUND 2-chloro-1,3-butadiene NIST_Chemistry_WebBook 2-chlorobutadiene ChemIDplus A chlorohydrocarbon carrying one or more chloro groups at unspecified positions. chloroolefin chebi_ontology CHEBI:39482 chloroolefin chloroolefin ChEBI A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. 0 C33H35FN2O5 InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 XUKUURHRXDUEBC-KAYWLYCHSA-N 558.63988 558.25300 CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O CHEBI:2910 CHEBI:39538 Beilstein:8373630 CAS:134523-00-5 DrugBank:DB01076 Drug_Central:257 HMDB:HMDB0005006 KEGG:C06834 KEGG:D07474 LINCS:LSM-5771 PDBeChem:117 PMID:11693468 PMID:15012735 PMID:18720283 Patent:EP409281 Patent:US5273995 Reaxys:8373630 Wikipedia:Atorvastatin (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid Atorvastatin chebi_ontology (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID Atorlip atorvastatin atorvastatina atorvastatine atorvastatinum CHEBI:39548 atorvastatin Beilstein:8373630 Beilstein CAS:134523-00-5 ChemIDplus CAS:134523-00-5 KEGG COMPOUND Drug_Central:257 DrugCentral PMID:11693468 Europe PMC PMID:15012735 Europe PMC PMID:18720283 Europe PMC Reaxys:8373630 Reaxys (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid IUPAC Atorvastatin KEGG_COMPOUND (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid ChemIDplus 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID PDBeChem Atorlip ChEBI atorvastatin ChemIDplus atorvastatina ChEBI atorvastatine ChEBI atorvastatinum ChEBI A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide. 0 C18H14F4N2O4S InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1 LKJPYSCBVHEWIU-KRWDZBQOSA-N 430.370 430.06104 C=1(C(=CC=C(C1)NC([C@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F CAS:113299-40-4 DrugBank:DB02932 PDBeChem:198 PMID:16847400 PMID:23288837 PMID:24397920 PMID:26442831 PMID:27848066 (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide chebi_ontology (-)-bicalutamide (R)-(-)bicalutamide (R)-Casodex CHEBI:39589 (R)-bicalutamide CAS:113299-40-4 ChemIDplus PMID:16847400 Europe PMC PMID:23288837 Europe PMC PMID:24397920 Europe PMC PMID:26442831 Europe PMC PMID:27848066 Europe PMC (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide IUPAC (-)-bicalutamide ChemIDplus (R)-(-)bicalutamide ChEBI (R)-Casodex ChemIDplus A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. curcumin http://langual.org 0 C21H20O6 InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ VFLDPWHFBUODDF-FCXRPNKRSA-N 368.385 368.12599 COC1=C(O)C=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1 CAS:458-37-7 Chemspider:839564 Codex::100(i) DrugBank:DB11672 Europe::100 HMDB:HMDB0002269 KEGG:C10443 KNApSAcK:C00002731 LINCS:LSM-43083 MetaCyc:CPD-6602 PDBeChem:CC9 PMID:10923784 PMID:12083767 PMID:12450549 PMID:12826232 PMID:14561543 PMID:14634121 PMID:15129424 PMID:15659840 PMID:15753945 PMID:15809436 PMID:15842781 PMID:15879598 PMID:16276182 PMID:16292655 PMID:16413584 PMID:16712454 PMID:16972983 PMID:17182546 PMID:18815282 PMID:19038979 PMID:19204190 PMID:19234767 PMID:20057137 PMID:20645870 PMID:21466422 PMID:21642934 PMID:22044005 PMID:22051121 PMID:22118895 PMID:22122768 PMID:22211691 PMID:22318308 PMID:22753715 PMID:23386263 PMID:23574161 PMID:34299604 PMID:34473340 PMID:34572272 PMID:34572491 PMID:9698073 Patent:DE859145 Patent:KR20130050834 Reaxys:2306965 Wikipedia:Curcumin http://www.langual.org/langual_thesaurus.asp?termid=B3071 (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Curcumin curcumin chebi_ontology C.I. 75300 C.I. Natural Yellow 3 Diferuloylmethane E 100 Kacha haldi Natural yellow 3 Turmeric yellow CHEBI:3962 LanguaL term definition: Food additive; technological purpose(s): colour. curcumin curcumin CAS:458-37-7 ChemIDplus CAS:458-37-7 KEGG COMPOUND PMID:10923784 Europe PMC PMID:12083767 Europe PMC PMID:12450549 Europe PMC PMID:12826232 Europe PMC PMID:14561543 Europe PMC PMID:14634121 Europe PMC PMID:15129424 Europe PMC PMID:15659840 Europe PMC PMID:15753945 Europe PMC PMID:15809436 Europe PMC PMID:15842781 Europe PMC PMID:15879598 Europe PMC PMID:16276182 Europe PMC PMID:16292655 Europe PMC PMID:16413584 Europe PMC PMID:16712454 Europe PMC PMID:16972983 Europe PMC PMID:17182546 Europe PMC PMID:18815282 Europe PMC PMID:19038979 Europe PMC PMID:19204190 Europe PMC PMID:19234767 Europe PMC PMID:20057137 Europe PMC PMID:20645870 Europe PMC PMID:21466422 Europe PMC PMID:21642934 Europe PMC PMID:22044005 Europe PMC PMID:22051121 Europe PMC PMID:22118895 Europe PMC PMID:22122768 Europe PMC PMID:22211691 Europe PMC PMID:22318308 Europe PMC PMID:22753715 Europe PMC PMID:23386263 Europe PMC PMID:23574161 Europe PMC PMID:34299604 Europe PMC PMID:34473340 Europe PMC PMID:34572272 Europe PMC PMID:34572491 Europe PMC PMID:9698073 Europe PMC Reaxys:2306965 Reaxys (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione IUPAC Curcumin KEGG_COMPOUND curcumin UniProt C.I. 75300 ChEBI C.I. Natural Yellow 3 ChEBI Diferuloylmethane ChemIDplus E 100 ChEBI Kacha haldi KEGG_COMPOUND Natural yellow 3 ChemIDplus Turmeric yellow ChemIDplus A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group. 0 C14H15N5O6S InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) RSMUVYRMZCOLBH-UHFFFAOYSA-N 381.36400 381.07430 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1 CHEBI:6910 CAS:74223-64-6 KEGG:C10946 PDBeChem:1MM PMID:21036398 PMID:23348034 PMID:23972318 PPDB:470 Pesticides:metsulfuron-methyl Reaxys:587472 Wikipedia:Metsulfuron-methyl Metsulfuron methyl methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate chebi_ontology Metsulfuron methyl ester metsulfuron-methyl CHEBI:39678 metsulfuron methyl CAS:74223-64-6 ChemIDplus CAS:74223-64-6 KEGG COMPOUND PMID:21036398 Europe PMC PMID:23348034 Europe PMC PMID:23972318 Europe PMC Pesticides:metsulfuron-methyl Alan Wood's Pesticides Reaxys:587472 Reaxys Metsulfuron methyl KEGG_COMPOUND methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate IUPAC Metsulfuron methyl ester ChemIDplus metsulfuron-methyl ChEBI A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. -1 H2O4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1 NBIIXXVUZAFLBC-UHFFFAOYSA-M 96.98724 96.96962 [H]OP([O-])(=O)O[H] CHEBI:29137 CHEBI:39739 DrugBank:DB02831 Gmelin:1999 PDBeChem:2HP dihydrogen(tetraoxidophosphate)(1-) dihydrogenphosphate dihydrogentetraoxophosphate(1-) dihydrogentetraoxophosphate(V) dihydroxidodioxidophosphate(1-) chebi_ontology DIHYDROGENPHOSPHATE ION H2PO4(-) [PO2(OH)2](-) CHEBI:39745 dihydrogenphosphate Gmelin:1999 Gmelin dihydrogen(tetraoxidophosphate)(1-) IUPAC dihydrogenphosphate IUPAC dihydrogentetraoxophosphate(1-) IUPAC dihydrogentetraoxophosphate(V) IUPAC dihydroxidodioxidophosphate(1-) IUPAC DIHYDROGENPHOSPHATE ION PDBeChem H2PO4(-) IUPAC [PO2(OH)2](-) IUPAC An ether that is the methyl ether derivative of ethanol. 0 C3H8O InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3 XOBKSJJDNFUZPF-UHFFFAOYSA-N 60.09500 60.05751 CCOC Beilstein:1730785 CAS:540-67-0 Gmelin:163978 PDBeChem:2ME PMID:12662033 Patent:KR20080019002 Reaxys:1730785 Wikipedia:Methoxyethane METHOXYETHANE methoxyethane chebi_ontology 1-methoxyethane Aethylmethylaether C2H5OCH3 Methoxyethan Methylaethylaether methyl ethyl ether CHEBI:39832 methoxyethane Beilstein:1730785 Beilstein CAS:540-67-0 ChemIDplus CAS:540-67-0 NIST Chemistry WebBook Gmelin:163978 Gmelin PMID:12662033 Europe PMC Reaxys:1730785 Reaxys METHOXYETHANE PDBeChem methoxyethane IUPAC 1-methoxyethane NIST_Chemistry_WebBook Aethylmethylaether ChEBI C2H5OCH3 NIST_Chemistry_WebBook Methoxyethan ChEBI Methylaethylaether ChEBI methyl ethyl ether ChemIDplus KEGG:C02019 Cyclic ketone cyclic ketones chebi_ontology CHEBI:3992 cyclic ketone Cyclic ketone KEGG_COMPOUND cyclic ketones IUPAC A mononitrotoluene carrying a nitro group at position 3. 0 C7H7NO2 InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 QZYHIOPPLUPUJF-UHFFFAOYSA-N 137.13600 137.04768 Cc1cccc(c1)[N+]([O-])=O CHEBI:35228 CHEBI:39924 Beilstein:1906910 CAS:99-08-1 Gmelin:279176 KEGG:C19486 PDBeChem:3NT PMID:23212174 PMID:23250222 Reaxys:1906910 Wikipedia:3-Nitrotoluene 1-methyl-3-nitrobenzene 3-NITROTOLUENE 3-nitrotoluene chebi_ontology 3-Nitrotoluol m-Nitrotoluol m-methylnitrobenzene m-nitrotoluene meta-Nitrotoluol CHEBI:39931 3-nitrotoluene Beilstein:1906910 Beilstein CAS:99-08-1 ChemIDplus CAS:99-08-1 KEGG COMPOUND CAS:99-08-1 NIST Chemistry WebBook Gmelin:279176 Gmelin PMID:23212174 Europe PMC PMID:23250222 Europe PMC Reaxys:1906910 Reaxys 1-methyl-3-nitrobenzene IUPAC 3-NITROTOLUENE PDBeChem 3-nitrotoluene UniProt 3-Nitrotoluol ChemIDplus m-Nitrotoluol ChemIDplus m-methylnitrobenzene NIST_Chemistry_WebBook m-nitrotoluene NIST_Chemistry_WebBook meta-Nitrotoluol ChemIDplus A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties. 0 C2H4N4 InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N 84.080 84.04360 N1N=C(N=C1)N CHEBI:1448 CHEBI:40029 Beilstein:107687 CAS:61-82-5 Gmelin:200706 KEGG:C11261 LINCS:LSM-4595 MetaCyc:CPD0-1491 PDBeChem:3TR PMID:11673067 PMID:17549540 PMID:25820916 PMID:7546330 PMID:7986209 PPDB:31 Patent:AU2012202062 Patent:WO2007147209 Pesticides:amitrole Reaxys:107687 Wikipedia:Amitrole 1H-1,2,4-triazol-3-amine Amitrole chebi_ontology 1H-1,2,4-triazol-3-ylamine 2-Amino-1,3,4-triazole 3-AT 3-Amino-1,2,4-triazole 3-amino-s-triazole Aminotriazole CHEBI:40036 amitrole Beilstein:107687 Beilstein CAS:61-82-5 ChemIDplus CAS:61-82-5 KEGG COMPOUND CAS:61-82-5 NIST Chemistry WebBook Gmelin:200706 Gmelin PMID:11673067 Europe PMC PMID:17549540 Europe PMC PMID:25820916 Europe PMC PMID:7546330 Europe PMC PMID:7986209 Europe PMC Pesticides:amitrole Alan Wood's Pesticides Reaxys:107687 Reaxys 1H-1,2,4-triazol-3-amine IUPAC Amitrole KEGG_COMPOUND 1H-1,2,4-triazol-3-ylamine ChemIDplus 2-Amino-1,3,4-triazole KEGG_COMPOUND 3-AT ChemIDplus 3-Amino-1,2,4-triazole KEGG_COMPOUND 3-amino-s-triazole NIST_Chemistry_WebBook Aminotriazole KEGG_COMPOUND An acetate ester obtained by the formal condensation of acetic acid with propanol. 0 C5H10O2 InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 YKYONYBAUNKHLG-UHFFFAOYSA-N 102.13170 102.06808 CCCOC(C)=O CAS:109-60-4 DrugBank:DB01670 HMDB:HMDB0034237 PDBeChem:4PA PMID:21535646 PMID:22821412 Patent:WO2011071131 Wikipedia:Propyl_acetate propyl acetate chebi_ontology 1-acetoxypropane n-Propyl acetate propyl ethanoate CHEBI:40116 propyl acetate CAS:109-60-4 NIST Chemistry WebBook PMID:21535646 Europe PMC PMID:22821412 Europe PMC propyl acetate IUPAC propyl acetate UniProt 1-acetoxypropane ChEBI n-Propyl acetate NIST_Chemistry_WebBook propyl ethanoate ChEBI A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. 0 C5H6N6 InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11) MSSXOMSJDRHRMC-UHFFFAOYSA-N 150.14130 150.06539 Nc1nc(N)c2nc[nH]c2n1 CAS:1904-98-9 MetaCyc:CPD0-2060 PDBeChem:6AP PMID:26190672 PMID:413053 PMID:676082 PMID:8832386 Reaxys:745238 Wikipedia:2,6-Diaminopurine 9H-PURINE-2,6-DIAMINE 9H-purine-2,6-diamine chebi_ontology 2,6-DIAMINOPURINE 2,6-diaminopurine 2-aminoadenine CHEBI:40235 9H-purine-2,6-diamine CAS:1904-98-9 ChemIDplus PMID:26190672 Europe PMC PMID:413053 Europe PMC PMID:676082 Europe PMC PMID:8832386 Europe PMC Reaxys:745238 Reaxys 9H-PURINE-2,6-DIAMINE PDBeChem 9H-purine-2,6-diamine PDBeChem 2,6-DIAMINOPURINE PDBeChem 2,6-diaminopurine ChEBI 2-aminoadenine ChemIDplus A triazolopyrazine that exhibits hypoglycemic activity. 0 C16H15F6N5O InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 MFFMDFFZMYYVKS-SECBINFHSA-N 407.31382 407.11808 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F Beilstein:9962060 CAS:486460-32-6 DrugBank:DB01261 Drug_Central:2448 HMDB:HMDB0015390 KEGG:D08516 LINCS:LSM-5363 PDBeChem:715 PMID:23286208 PMID:23331339 PMID:23432786 PMID:23489256 PMID:23927568 PMID:24039399 PMID:24041927 Reaxys:9962060 Wikipedia:Sitagliptin (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one chebi_ontology (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE MK-0431 sitagliptin sitagliptina sitagliptine sitagliptinum CHEBI:40237 sitagliptin Beilstein:9962060 Beilstein CAS:486460-32-6 ChemIDplus Drug_Central:2448 DrugCentral PMID:23286208 Europe PMC PMID:23331339 Europe PMC PMID:23432786 Europe PMC PMID:23489256 Europe PMC PMID:23927568 Europe PMC PMID:24039399 Europe PMC PMID:24041927 Europe PMC Reaxys:9962060 Reaxys (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one IUPAC (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE PDBeChem MK-0431 DrugBank sitagliptin WHO_MedNet sitagliptina WHO_MedNet sitagliptine WHO_MedNet sitagliptinum WHO_MedNet A phosphorodiamide that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by two 2-chloroethyl groups at the amino nitrogen atom. 0 C7H15Cl2N2O2P InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) CMSMOCZEIVJLDB-UHFFFAOYSA-N 261.08544 260.02482 ClCCN(CCCl)P1(=O)NCCCO1 Beilstein:11744 CAS:50-18-0 DrugBank:DB00531 Drug_Central:758 HMDB:HMDB0014672 KEGG:C07888 KEGG:D07760 LINCS:LSM-4961 PMID:15711186 PMID:7850793 Reaxys:11744 Wikipedia:Cyclophosphamide N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide chebi_ontology (+-)-Cyclophosphamide (RS)-Cyclophosphamide 2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester Cyclophosphamide anhydrous N,N-bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide CHEBI:4027 cyclophosphamide Beilstein:11744 Beilstein CAS:50-18-0 ChemIDplus CAS:50-18-0 KEGG COMPOUND CAS:50-18-0 NIST Chemistry WebBook Drug_Central:758 DrugCentral PMID:15711186 Europe PMC PMID:7850793 Europe PMC Reaxys:11744 Reaxys N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide IUPAC (+-)-Cyclophosphamide ChemIDplus (RS)-Cyclophosphamide ChemIDplus 2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide NIST_Chemistry_WebBook Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester ChemIDplus Cyclophosphamide anhydrous KEGG_COMPOUND N,N-bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide IUPAC A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). 0 C24H36O5 InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 PCZOHLXUXFIOCF-BXMDZJJMSA-N 404.53964 404.25627 [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC CHEBI:40299 CHEBI:6544 Beilstein:3631989 CAS:75330-75-5 DrugBank:DB00227 Drug_Central:1612 HMDB:HMDB0014372 KEGG:C07074 KEGG:D00359 KNApSAcK:C00000547 LINCS:LSM-2189 PDBeChem:803 PMID:11375168 PMID:11389707 PMID:11483865 PMID:18642339 PMID:24093797 PMID:7720768 Patent:CN103172602 Patent:WO2013090461 Reaxys:4720754 Wikipedia:Lovastatin (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate LOVASTATIN Lovastatin lovastatin chebi_ontology (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6alpha-methylcompactin MK-803 ML-530B Mevacor Mevinolin CHEBI:40303 lovastatin Beilstein:3631989 ChemIDplus CAS:75330-75-5 ChemIDplus CAS:75330-75-5 KEGG DRUG Drug_Central:1612 DrugCentral PMID:11375168 Europe PMC PMID:11389707 Europe PMC PMID:11483865 Europe PMC PMID:18642339 Europe PMC PMID:24093797 Europe PMC PMID:7720768 Europe PMC Reaxys:4720754 Reaxys (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate IUPAC LOVASTATIN PDBeChem Lovastatin KEGG_COMPOUND lovastatin UniProt (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate ChemIDplus 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone ChemIDplus 6alpha-methylcompactin ChemIDplus MK-803 KEGG_DRUG ML-530B KEGG_DRUG Mevacor ChemIDplus Mevinolin ChemIDplus A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile. 0 C22H18Cl2FNO3 InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3 QQODLKZGRKWIFG-UHFFFAOYSA-N 434.28706 433.06478 CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1 Beilstein:2788149 CAS:68359-37-5 Drug_Central:4407 KEGG:C10982 KEGG:D07761 PMID:17912691 PMID:18383791 PPDB:192 Patent:DE2709264 Patent:US4218469 Patent:US4287208 Reaxys:2788149 Cyfluthrin cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate chebi_ontology (R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate CHEBI:4034 cyfluthrin Beilstein:2788149 Beilstein CAS:68359-37-5 ChemIDplus CAS:68359-37-5 KEGG COMPOUND Drug_Central:4407 DrugCentral PMID:17912691 Europe PMC PMID:18383791 Europe PMC Reaxys:2788149 Reaxys Cyfluthrin KEGG_COMPOUND cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate IUPAC (R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate ChemIDplus A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. 0 C23H19ClF3NO3 InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12- ZXQYGBMAQZUVMI-UNOMPAQXSA-N 449.84981 449.10056 CC1(C)C(\C=C(/Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 CAS:68085-85-8 KEGG:C10983 KEGG:D07762 Patent:DE2802962 Patent:US4183948 Cyhalothrin cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate chebi_ontology 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester CHEBI:4035 cyhalothrin CAS:68085-85-8 ChemIDplus CAS:68085-85-8 KEGG COMPOUND Cyhalothrin KEGG_COMPOUND cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate IUPAC 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester ChemIDplus A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees. 0 C14H15N3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N 225.28900 225.12660 Cc1cc(nc(Nc2ccccc2)n1)C1CC1 AGR:IND21380293 CAS:121552-61-2 HMDB:HMDB0034853 KEGG:C10914 PMID:23073993 PMID:23228475 PMID:23436777 PMID:23799251 PMID:24598029 PMID:24746069 PMID:24809493 PMID:24901957 PPDB:199 Patent:EP1023838 Patent:US2011021580 Pesticides:cyprodinil Reaxys:7813601 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine chebi_ontology 2-Anilino-4-cyclopropyl-6-methylpyrimidine 4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine HSDB 7019 CHEBI:4045 cyprodinil AGR:IND21380293 Europe PMC CAS:121552-61-2 ChemIDplus CAS:121552-61-2 KEGG COMPOUND CAS:121552-61-2 NIST Chemistry WebBook PMID:23073993 Europe PMC PMID:23228475 Europe PMC PMID:23436777 Europe PMC PMID:23799251 Europe PMC PMID:24598029 Europe PMC PMID:24746069 Europe PMC PMID:24809493 Europe PMC PMID:24901957 Europe PMC Pesticides:cyprodinil Alan Wood's Pesticides Reaxys:7813601 Reaxys 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine IUPAC 2-Anilino-4-cyclopropyl-6-methylpyrimidine HMDB 4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine HMDB HSDB 7019 ChemIDplus L-Canavanine in zwitterionic form. 0 C5H12N4O3 InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 FSBIGDSBMBYOPN-VKHMYHEASA-N 176.17380 176.09094 NC(=N)NOCC[C@H]([NH3+])C([O-])=O MetaCyc:CANAVANINE (2S)-2-azaniumyl-4-(carbamimidamidooxy)butanoate chebi_ontology (2S)-2-ammonio-4-(carbamimidamidooxy)butanoate L-Canavanine CHEBI:405237 L-canavanine zwitterion (2S)-2-azaniumyl-4-(carbamimidamidooxy)butanoate IUPAC (2S)-2-ammonio-4-(carbamimidamidooxy)butanoate IUPAC L-Canavanine ChEMBL An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture. 0 C22H17N3O5 InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ WFDXOXNFNRHQEC-GHRIWEEISA-N 403.38750 403.11682 CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 Beilstein:8350244 CAS:131860-33-8 KEGG:C18558 PDBeChem:AZO PMID:20818521 PMID:21153804 PMID:21671616 PMID:21777591 PMID:21884765 PMID:22092932 PMID:22224459 PMID:22278367 PMID:24125711 PMID:24405376 PMID:24700092 PMID:24726979 PMID:25011117 PMID:25090100 PMID:25196149 PPDB:54 Patent:EP382375 Patent:US5395837 Pesticides:azoxystrobin Reaxys:8350244 Wikipedia:Azoxystrobin methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate chebi_ontology (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate CHEBI:40909 azoxystrobin Beilstein:8350244 Beilstein CAS:131860-33-8 ChemIDplus CAS:131860-33-8 KEGG COMPOUND PMID:20818521 Europe PMC PMID:21153804 Europe PMC PMID:21671616 Europe PMC PMID:21777591 Europe PMC PMID:21884765 Europe PMC PMID:22092932 Europe PMC PMID:22224459 Europe PMC PMID:22278367 Europe PMC PMID:24125711 Europe PMC PMID:24405376 Europe PMC PMID:24700092 Europe PMC PMID:24726979 Europe PMC PMID:25011117 Europe PMC PMID:25090100 Europe PMC PMID:25196149 Europe PMC Pesticides:azoxystrobin Alan Wood's Pesticides Reaxys:8350244 Reaxys methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate IUPAC (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester ChEBI methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate ChEBI -1 N3 InChI=1S/N3/c1-3-2/q-1 IVRMZWNICZWHMI-UHFFFAOYSA-N 42.02022 42.00977 [N-]=[N+]=[N-] CHEBI:22679 CHEBI:40904 CAS:14343-69-2 Gmelin:24977 PDBeChem:AZI azide trinitride(1-) chebi_ontology AZIDE ION N3(-) azide CHEBI:40910 azide anion CAS:14343-69-2 NIST Chemistry WebBook Gmelin:24977 Gmelin azide IUPAC trinitride(1-) IUPAC AZIDE ION PDBeChem N3(-) IUPAC azide ChEBI A thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation. 0 C19H23N4O6PS InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28) BTNNPSLJPBRMLZ-UHFFFAOYSA-N 466.44800 466.10759 [H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1 CHEBI:31259 CAS:22457-89-2 KEGG:D01255 LINCS:LSM-5213 PDBeChem:BFT PMID:21288652 PMID:21511829 PMID:21984258 PMID:22067901 PMID:22271422 PMID:22402947 PMID:22446172 PMID:22527094 PMID:22792314 PMID:22961478 PMID:22982063 PMID:22997160 PMID:23066179 PMID:23091724 PMID:23119057 PMID:23278494 PMID:23279611 PMID:23292796 PMID:23369791 Patent:US2006045896 Reaxys:771326 Wikipedia:Benfotiamine S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate chebi_ontology Benphothiamine Benzoylthiamine O-monophosphate Benzoylthiamine monophosphate N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate S-Benzoylthiamine O-monophosphate S-Benzoylthiamine monophosphate benfotiamina benfotiamine benfotiaminum CHEBI:41039 benfotiamine CAS:22457-89-2 ChemIDplus PMID:21288652 Europe PMC PMID:21511829 Europe PMC PMID:21984258 Europe PMC PMID:22067901 Europe PMC PMID:22271422 Europe PMC PMID:22402947 Europe PMC PMID:22446172 Europe PMC PMID:22527094 Europe PMC PMID:22792314 Europe PMC PMID:22961478 Europe PMC PMID:22982063 Europe PMC PMID:22997160 Europe PMC PMID:23066179 Europe PMC PMID:23091724 Europe PMC PMID:23119057 Europe PMC PMID:23278494 Europe PMC PMID:23279611 Europe PMC PMID:23292796 Europe PMC PMID:23369791 Europe PMC Reaxys:771326 Reaxys S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate IUPAC Benphothiamine ChemIDplus Benzoylthiamine O-monophosphate ChemIDplus Benzoylthiamine monophosphate ChemIDplus N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate ChemIDplus S-Benzoylthiamine O-monophosphate ChemIDplus S-Benzoylthiamine monophosphate ChemIDplus benfotiamina ChemIDplus benfotiamine KEGG_DRUG benfotiamine WHO_MedNet benfotiaminum ChemIDplus 0 C2H6OS InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2 DGVVWUTYPXICAM-UHFFFAOYSA-N 78.13444 78.01394 OCCS CHEBI:41215 CHEBI:6766 Beilstein:773648 CAS:60-24-2 DrugBank:DB03345 Gmelin:1368 KEGG:C00928 PDBeChem:BME PMID:6334792 2-sulfanylethanol Mercaptoethanol chebi_ontology 2-Mercaptoethanol BETA-MERCAPTOETHANOL Thioglycol beta-mercaptoethanol CHEBI:41218 mercaptoethanol Beilstein:773648 Beilstein CAS:60-24-2 ChemIDplus CAS:60-24-2 KEGG COMPOUND CAS:60-24-2 NIST Chemistry WebBook Gmelin:1368 Gmelin PMID:6334792 Europe PMC 2-sulfanylethanol IUPAC Mercaptoethanol KEGG_COMPOUND 2-Mercaptoethanol KEGG_COMPOUND BETA-MERCAPTOETHANOL PDBeChem Thioglycol KEGG_COMPOUND beta-mercaptoethanol ChEBI The 1H-tautomer of benzimidazole. 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) HYZJCKYKOHLVJF-UHFFFAOYSA-N 118.13602 118.05310 c1ccc2[nH]cnc2c1 CHEBI:3028 CHEBI:41272 Beilstein:109682 CAS:51-17-2 DrugBank:DB02962 Gmelin:3106 KEGG:C02009 MetaCyc:BENZIMIDAZOLE PDBeChem:BZI PMID:24152176 PMID:8070089 Reaxys:109682 Wikipedia:Benzimidazole 1H-benzimidazole chebi_ontology 1,3-benzodiazole 1,3-diazaindene BENZIMIDAZOLE Benzimidazole Hbim Hbzim azindole benzimidazole benzoglyoxaline o-benzimidazole CHEBI:41275 1H-benzimidazole Beilstein:109682 Beilstein CAS:51-17-2 ChemIDplus CAS:51-17-2 KEGG COMPOUND CAS:51-17-2 NIST Chemistry WebBook Gmelin:3106 Gmelin PMID:24152176 Europe PMC PMID:8070089 Europe PMC Reaxys:109682 Reaxys 1H-benzimidazole IUPAC 1,3-benzodiazole ChemIDplus 1,3-diazaindene ChemIDplus BENZIMIDAZOLE PDBeChem Benzimidazole KEGG_COMPOUND Hbim IUPAC Hbzim IUPAC azindole ChemIDplus benzimidazole IUPAC benzoglyoxaline ChemIDplus o-benzimidazole NIST_Chemistry_WebBook The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. 0 C13H10O InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H RWCCWEUUXYIKHB-UHFFFAOYSA-N 182.222 182.07316 O=C(C1=CC=CC=C1)C1=CC=CC=C1 CHEBI:3034 CHEBI:41306 Beilstein:1238185 CAS:119-61-9 Chemspider:2991 DrugBank:DB01878 Gmelin:4256 HMDB:HMDB0032049 KEGG:C06354 PDBeChem:BZQ PMID:10728861 PMID:10864504 PMID:10877357 PMID:14673848 PMID:15373829 PMID:15672204 PMID:16212356 PMID:16820853 PMID:16853025 PMID:16999485 PMID:17439666 PMID:17955805 PMID:19388040 PMID:19655709 PMID:19939518 PMID:20534002 PMID:21238557 PMID:21277784 PMID:21919502 PMID:23963450 PMID:24226914 PMID:25788150 PMID:26254646 PMID:26282042 PMID:30720459 PMID:32736220 PMID:33682414 Reaxys:1238185 Wikipedia:Benzophenone Benzophenone benzophenone diphenylmethanone chebi_ontology DIPHENYLMETHANONE Diphenyl ketone Ph2CO alpha-oxodiphenylmethane alpha-oxoditane benzoylbenzene CHEBI:41308 benzophenone Beilstein:1238185 Beilstein CAS:119-61-9 ChemIDplus CAS:119-61-9 KEGG COMPOUND CAS:119-61-9 NIST Chemistry WebBook Gmelin:4256 Gmelin PMID:10728861 Europe PMC PMID:10864504 Europe PMC PMID:10877357 Europe PMC PMID:14673848 Europe PMC PMID:15373829 Europe PMC PMID:15672204 Europe PMC PMID:16212356 Europe PMC PMID:16820853 Europe PMC PMID:16853025 Europe PMC PMID:16999485 Europe PMC PMID:17439666 Europe PMC PMID:17955805 Europe PMC PMID:19388040 Europe PMC PMID:19655709 Europe PMC PMID:19939518 Europe PMC PMID:20534002 Europe PMC PMID:21238557 Europe PMC PMID:21277784 Europe PMC PMID:21919502 Europe PMC PMID:23963450 Europe PMC PMID:24226914 Europe PMC PMID:25788150 Europe PMC PMID:26254646 Europe PMC PMID:26282042 Europe PMC PMID:30720459 Europe PMC PMID:32736220 Europe PMC PMID:33682414 Europe PMC Reaxys:1238185 Reaxys Benzophenone KEGG_COMPOUND benzophenone IUPAC benzophenone UniProt diphenylmethanone IUPAC DIPHENYLMETHANONE PDBeChem Diphenyl ketone KEGG_COMPOUND Ph2CO ChEBI alpha-oxodiphenylmethane NIST_Chemistry_WebBook alpha-oxoditane NIST_Chemistry_WebBook benzoylbenzene NIST_Chemistry_WebBook A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera). 0 C13H12N2O InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) GWEHVDNNLFDJLR-UHFFFAOYSA-N 212.248 212.09496 C(NC1=CC=CC=C1)(NC2=CC=CC=C2)=O Beilstein:782650 CAS:102-07-8 DrugBank:DB07496 Gmelin:143821 HMDB:HMDB0032066 PDBeChem:BSU PMID:20727675 PMID:7498450 Patent:US2010273876 Reaxys:782650 1,3-DIPHENYLUREA 1,3-diphenylurea chebi_ontology 1,3-diphenylcarbamide N,N'-diphenylurea N-phenyl-N'-phenylurea carbanilide diphenylcarbamide diphenylurea s-diphenylurea sym-diphenylurea CHEBI:41320 1,3-diphenylurea Beilstein:782650 Beilstein CAS:102-07-8 ChemIDplus CAS:102-07-8 NIST Chemistry WebBook Gmelin:143821 Gmelin PMID:20727675 Europe PMC PMID:7498450 Europe PMC Reaxys:782650 Reaxys 1,3-DIPHENYLUREA PDBeChem 1,3-diphenylurea IUPAC 1,3-diphenylcarbamide ChemIDplus N,N'-diphenylurea NIST_Chemistry_WebBook N-phenyl-N'-phenylurea NIST_Chemistry_WebBook carbanilide ChemIDplus diphenylcarbamide ChemIDplus diphenylurea ChemIDplus s-diphenylurea ChemIDplus sym-diphenylurea NIST_Chemistry_WebBook 0 CHF3 InChI=1S/CHF3/c2-1(3)4/h1H XPDWGBQVDMORPB-UHFFFAOYSA-N 70.01385 70.00303 [H]C(F)(F)F CHEBI:24073 CHEBI:41543 Beilstein:1731035 CAS:75-46-7 Gmelin:1543 PDBeChem:CFT UM-BBD_compID:c0802 fluoroform chebi_ontology CHF3 Freon 23 Freon F-23 TRIFLUOROMETHANE carbon trifluoride methyl trifluoride CHEBI:41550 fluoroform Beilstein:1731035 Beilstein CAS:75-46-7 ChemIDplus CAS:75-46-7 NIST Chemistry WebBook Gmelin:1543 Gmelin UM-BBD_compID:c0802 UM-BBD fluoroform IUPAC CHF3 IUPAC Freon 23 ChemIDplus Freon F-23 NIST_Chemistry_WebBook TRIFLUOROMETHANE PDBeChem carbon trifluoride UM-BBD methyl trifluoride NIST_Chemistry_WebBook An enal consisting of propene having a formyl group at the 1-position. 0 C4H6O InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N 70.08980 70.04186 [H]C(=O)\C=C\C CAS:123-73-9 CAS:4170-30-3 KEGG:C19377 PDBeChem:CRD PMID:20153411 PMID:20672270 PMID:20736172 PMID:21238556 PMID:21306579 Reaxys:1209254 (2E)-but-2-enal chebi_ontology (2E)-BUT-2-ENAL (E)-crotonaldehyde 1-formylpropene 2-Butenal aldehyde crotonique beta-methylacrolein crotonal crotonic aldehyde crotylaldehyde methylpropenal propylene aldehyde trans-2-butenal trans-2-butenaldehyde trans-but-2-enal trans-crotonaldehyde CHEBI:41607 crotonaldehyde CAS:123-73-9 ChemIDplus CAS:4170-30-3 KEGG COMPOUND PMID:20153411 Europe PMC PMID:20672270 Europe PMC PMID:20736172 Europe PMC PMID:21238556 Europe PMC PMID:21306579 Europe PMC Reaxys:1209254 Reaxys (2E)-but-2-enal IUPAC (2E)-BUT-2-ENAL PDBeChem (E)-crotonaldehyde ChEBI 1-formylpropene ChemIDplus 2-Butenal KEGG_COMPOUND aldehyde crotonique ChemIDplus beta-methylacrolein ChemIDplus crotonal ChemIDplus crotonic aldehyde ChemIDplus crotylaldehyde ChemIDplus methylpropenal ChemIDplus propylene aldehyde ChemIDplus trans-2-butenal ChemIDplus trans-2-butenaldehyde ChemIDplus trans-but-2-enal ChEBI trans-crotonaldehyde ChEBI -2 CO3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2 BVKZGUZCCUSVTD-UHFFFAOYSA-L 60.00890 59.98584 [O-]C([O-])=O CHEBI:29201 CHEBI:41605 Beilstein:3600898 CAS:3812-32-6 Gmelin:1559 PDBeChem:CO3 carbonate trioxidocarbonate(2-) chebi_ontology CARBONATE ION CO3(2-) Karbonat [CO3](2-) CHEBI:41609 carbonate Beilstein:3600898 Beilstein CAS:3812-32-6 ChemIDplus Gmelin:1559 Gmelin carbonate IUPAC trioxidocarbonate(2-) IUPAC CARBONATE ION PDBeChem CO3(2-) ChEBI Karbonat ChEBI [CO3](2-) IUPAC A glucopyranose having D-configuration. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-GASJEMHNSA-N 180.15588 180.06339 OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O Beilstein:1281604 CAS:2280-44-6 GlyGen:G15021LG GlyTouCan:G15021LG Gmelin:83256 HMDB:HMDB0000122 KEGG:C00031 KEGG:D00009 KNApSAcK:C00001122 MetaCyc:D-Glucose PMID:15987845 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17928662 PMID:19913595 PMID:26812026 PMID:32619908 PMID:7524207 PMID:9140037 PMID:9501190 PMID:9506998 PMID:9545565 Reaxys:1281604 Wikipedia:Glucose D-glucopyranose chebi_ontology D-Glc D-Glcp D-Glucose D-glucose Dextrose Glc-OH Glucose Grape sugar WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/ glucose CHEBI:4167 D-glucopyranose Beilstein:1281604 Beilstein CAS:2280-44-6 ChemIDplus Gmelin:83256 Gmelin PMID:15987845 Europe PMC PMID:16901854 Europe PMC PMID:17336832 Europe PMC PMID:17439666 Europe PMC PMID:17928662 Europe PMC PMID:19913595 Europe PMC PMID:26812026 Europe PMC PMID:32619908 Europe PMC PMID:7524207 Europe PMC PMID:9140037 Europe PMC PMID:9501190 Europe PMC PMID:9506998 Europe PMC PMID:9545565 Europe PMC Reaxys:1281604 Reaxys D-glucopyranose IUPAC D-Glc ChEBI D-Glcp ChEBI D-Glucose KEGG_COMPOUND D-glucose UniProt Dextrose KEGG_COMPOUND Glc-OH ChEBI Glucose KEGG_COMPOUND Grape sugar KEGG_COMPOUND WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/ GlyTouCan glucose ChEBI A straight-chain alkane with 10 carbon atoms. 0 C10H22 InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 DIOQZVSQGTUSAI-UHFFFAOYSA-N 142.28168 142.17215 CCCCCCCCCC CHEBI:32894 CHEBI:41801 Beilstein:1696981 CAS:124-18-5 DrugBank:DB02826 Gmelin:67816 HMDB:HMDB0031450 LIPID_MAPS_instance:LMFA11000568 MetaCyc:CPD-9287 PDBeChem:D10 PMID:11762597 Reaxys:1696981 Wikipedia:Decane DECANE decane chebi_ontology CH3-[CH2]8-CH3 Dekan n-Dekan n-decane CHEBI:41808 decane Beilstein:1696981 ChemIDplus CAS:124-18-5 ChemIDplus CAS:124-18-5 NIST Chemistry WebBook Gmelin:67816 Gmelin LIPID_MAPS_instance:LMFA11000568 LIPID MAPS PMID:11762597 Europe PMC Reaxys:1696981 Reaxys DECANE PDBeChem decane IUPAC CH3-[CH2]8-CH3 IUPAC Dekan ChEBI n-Dekan ChEBI n-decane NIST_Chemistry_WebBook A fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20. It is a synthetic member of the class of glucocorticoids. 0 C22H29FO5 InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 UREBDLICKHMUKA-CXSFZGCWSA-N 392.467 392.19990 C1=CC(C=C2[C@]1([C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3O)([C@]([C@@H](C4)C)(C(CO)=O)O)C)[H])[H])F)C)=O CHEBI:41873 CHEBI:4461 Beilstein:2066652 CAS:50-02-2 DrugBank:DB01234 Drug_Central:824 FooDB:FDB001355 HMDB:HMDB0015364 KEGG:C15643 KEGG:D00292 MetaCyc:CPD-10549 PMID:11508649 PMID:12151000 PMID:12686538 PMID:18272184 PMID:18524938 PMID:19779450 PMID:20850457 PMID:26602186 PMID:29958267 PMID:31391291 PMID:32195984 PMID:32280693 PMID:32496907 PMID:32551464 PMID:32570995 Patent:DE1113690 Patent:GB869511 Patent:US3007923 Reaxys:2066652 VSDB:1769 Wikipedia:Dexamethasone 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione Dexamethasone dexamethasone chebi_ontology (11beta,16alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 1-dehydro-16alpha-methyl-9alpha-fluorohydrocortisone 16alpha-methyl-9alpha-fluoro-1-dehydrocortisol 9alpha-fluoro-16alpha-methylprednisolone Aeroseb-Dex Auxiron Azium Calonat Corson Cortisumman Decacort Decadron Decaject Decalix Decameth DexPak Dexacortal Dexacortin Dexason Dexasone Diodex Hexadrol Maxidex Millicorten Oradexon Ozurdex Solurex Zema-Pak dexametasona dexamethasone dexamethasonum fluormethylprednisolone CHEBI:41879 dexamethasone Beilstein:2066652 Beilstein CAS:50-02-2 ChemIDplus CAS:50-02-2 NIST Chemistry WebBook Drug_Central:824 DrugCentral PMID:11508649 Europe PMC PMID:12151000 Europe PMC PMID:12686538 Europe PMC PMID:18272184 Europe PMC PMID:18524938 Europe PMC PMID:19779450 Europe PMC PMID:20850457 Europe PMC PMID:26602186 Europe PMC PMID:29958267 Europe PMC PMID:31391291 Europe PMC PMID:32195984 Europe PMC PMID:32280693 Europe PMC PMID:32496907 Europe PMC PMID:32551464 Europe PMC PMID:32570995 Europe PMC Reaxys:2066652 Reaxys 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione IUPAC Dexamethasone KEGG_DRUG dexamethasone UniProt (11beta,16alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione ChemIDplus 1-dehydro-16alpha-methyl-9alpha-fluorohydrocortisone NIST_Chemistry_WebBook 16alpha-methyl-9alpha-fluoro-1-dehydrocortisol NIST_Chemistry_WebBook 9alpha-fluoro-16alpha-methylprednisolone NIST_Chemistry_WebBook Aeroseb-Dex ChemIDplus Auxiron ChemIDplus Azium ChemIDplus Calonat ChemIDplus Corson ChEBI Cortisumman ChemIDplus Decacort ChEBI Decadron KEGG_DRUG Decaject ChemIDplus Decalix ChemIDplus Decameth ChemIDplus DexPak ChemIDplus Dexacortal ChemIDplus Dexacortin ChemIDplus Dexason ChemIDplus Dexasone ChemIDplus Diodex ChEBI Hexadrol ChemIDplus Maxidex ChemIDplus Millicorten ChemIDplus Oradexon ChemIDplus Ozurdex ChEBI Solurex ChEBI Zema-Pak ChEBI dexametasona WHO_MedNet dexamethasone WHO_MedNet dexamethasonum WHO_MedNet fluormethylprednisolone VSDB A tertiary amine oxide that is the N-oxide of N,N-dimethyldecan-1-amine. 0 C12H27NO InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3 ZRKZFNZPJKEWPC-UHFFFAOYSA-N 201.349 201.20926 C([N+](C)([O-])C)CCCCCCCCC CAS:2605-79-0 PDBeChem:DDQ PMID:15896049 Reaxys:2352550 decyl(dimethyl)amine oxide chebi_ontology Capric dimethyl amine oxide Decyl dimethyl amine oxide Decylamine oxide N,N-Dimethyl-1-decanamine-N-oxide N,N-dimethyldecylamine N-oxide CHEBI:41899 decylamine-N,N-dimethyl-N-oxide CAS:2605-79-0 ChemIDplus PMID:15896049 Europe PMC Reaxys:2352550 Reaxys decyl(dimethyl)amine oxide IUPAC Capric dimethyl amine oxide ChemIDplus Decyl dimethyl amine oxide ChemIDplus Decylamine oxide ChemIDplus N,N-Dimethyl-1-decanamine-N-oxide ChemIDplus N,N-dimethyldecylamine N-oxide ChEBI An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. 0 C9H8 InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2 YBYIRNPNPLQARY-UHFFFAOYSA-N 116.15982 116.06260 C1C=Cc2ccccc12 CHEBI:33051 CHEBI:41918 Beilstein:635873 CAS:95-13-6 DrugBank:DB02815 Gmelin:27265 PDBeChem:DEN PMID:24217495 PMID:24804069 Reaxys:635873 Wikipedia:Indene 1H-indene chebi_ontology INDENE Inden indene indonaphthene CHEBI:41921 1H-indene Beilstein:635873 Beilstein CAS:95-13-6 ChemIDplus CAS:95-13-6 NIST Chemistry WebBook Gmelin:27265 Gmelin PMID:24217495 Europe PMC PMID:24804069 Europe PMC Reaxys:635873 Reaxys 1H-indene IUPAC INDENE PDBeChem Inden ChemIDplus indene NIST_Chemistry_WebBook indonaphthene ChemIDplus An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. 0 C18H20O2 InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ RGLYKWWBQGJZGM-ISLYRVAYSA-N 268.35020 268.14633 CC\C(c1ccc(O)cc1)=C(\CC)c1ccc(O)cc1 CHEBI:41920 CHEBI:4531 Beilstein:2056095 CAS:56-53-1 DrugBank:DB00255 Drug_Central:875 FooDB:FDB007498 HMDB:HMDB0014400 KEGG:C07620 KEGG:D00577 PDBeChem:DES PMID:12877905 PMID:15322263 PMID:16665969 PMID:19303142 PMID:21795073 PMID:21852823 PMID:24247716 PMID:25934356 PMID:28461243 PMID:29344720 PMID:29609831 PMID:29658110 PMID:30049842 PMID:30153466 PMID:30594671 PMID:30685453 PMID:30758926 PMID:30866048 PMID:31119342 PMID:31119346 PMID:31247589 PMID:31259848 PMID:31280197 PMID:31283846 PMID:31300300 PMID:8832405 PMID:9202463 Wikipedia:Diethylstilbestrol 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol Diethylstilbestrol chebi_ontology (E)-3,4-bis(4-hydroxyphenyl)-3-hexene (E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol 4,4'-dihydroxy-alpha,beta-diethylstilbene DES Distilbene alpha,alpha'-diethyl-(E)-4,4'-stilbenediol diethylstilbestrol diethylstilbestrolum dietilestilbestrol trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol trans-Diethylstilbesterol trans-Diethylstilbestrol trans-Diethylstilboesterol CHEBI:41922 diethylstilbestrol Beilstein:2056095 ChemIDplus CAS:56-53-1 ChemIDplus CAS:56-53-1 KEGG COMPOUND CAS:56-53-1 NIST Chemistry WebBook Drug_Central:875 DrugCentral PMID:12877905 Europe PMC PMID:15322263 Europe PMC PMID:16665969 Europe PMC PMID:19303142 Europe PMC PMID:21795073 Europe PMC PMID:21852823 Europe PMC PMID:24247716 Europe PMC PMID:25934356 Europe PMC PMID:28461243 Europe PMC PMID:29344720 Europe PMC PMID:29609831 Europe PMC PMID:29658110 Europe PMC PMID:30049842 Europe PMC PMID:30153466 Europe PMC PMID:30594671 Europe PMC PMID:30685453 Europe PMC PMID:30758926 Europe PMC PMID:30866048 Europe PMC PMID:31119342 Europe PMC PMID:31119346 Europe PMC PMID:31247589 Europe PMC PMID:31259848 Europe PMC PMID:31280197 Europe PMC PMID:31283846 Europe PMC PMID:31300300 Europe PMC PMID:8832405 Europe PMC PMID:9202463 Europe PMC 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol IUPAC Diethylstilbestrol KEGG_COMPOUND (E)-3,4-bis(4-hydroxyphenyl)-3-hexene ChemIDplus (E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol NIST_Chemistry_WebBook 4,4'-dihydroxy-alpha,beta-diethylstilbene NIST_Chemistry_WebBook DES KEGG_COMPOUND Distilbene DrugBank alpha,alpha'-diethyl-(E)-4,4'-stilbenediol NIST_Chemistry_WebBook diethylstilbestrol ChEBI diethylstilbestrol ChemIDplus diethylstilbestrolum ChemIDplus dietilestilbestrol ChemIDplus trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol NIST_Chemistry_WebBook trans-Diethylstilbesterol DrugBank trans-Diethylstilbestrol DrugBank trans-Diethylstilboesterol DrugBank A hexose that has D-configuration at position 5. 0 C6H12O6 180.156 180.06339 KEGG:C00738 D-Hexose D-hexopyranose D-hexose chebi_ontology D-hexoses CHEBI:4194 D-hexose D-Hexose KEGG_COMPOUND D-hexopyranose IUPAC D-hexose UniProt D-hexoses ChEBI An anthracycline cation resulting from the protonation of the amino group of 4'-epidoxorubicin. +1 C27H30NO11 InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1 AOJJSUZBOXZQNB-VTZDEGQISA-O 544.52720 544.18134 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO PDBeChem:DM6 (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside chebi_ontology 4'-EPIDOXORUBICIN CHEBI:41983 4'-epidoxorubicinium (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside IUPAC 4'-EPIDOXORUBICIN PDBeChem A dinitrophenol having the nitro groups at the 2- and 4-positions. 0 C6H4N2O5 InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H UFBJCMHMOXMLKC-UHFFFAOYSA-N 184.10640 184.01202 Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O CHEBI:42013 CHEBI:918 Beilstein:1246142 CAS:51-28-5 DrugBank:DB04528 Gmelin:103005 KEGG:C02496 LINCS:LSM-20951 MetaCyc:CPD-8179 PDBeChem:DNF PMID:10509480 PMID:10888472 PMID:13532746 PMID:15307184 PMID:16661637 PMID:18505478 PMID:25281383 PMID:5959282 PMID:9129253 Reaxys:1246142 Wikipedia:2,4-Dinitrophenol 2,4-DINITROPHENOL 2,4-Dinitrophenol 2,4-dinitrophenol chebi_ontology 1-hydroxy-2,4-dinitrobenzene 2,4-DNP alpha-dinitrophenol CHEBI:42017 2,4-dinitrophenol Beilstein:1246142 Beilstein CAS:51-28-5 ChemIDplus CAS:51-28-5 KEGG COMPOUND CAS:51-28-5 NIST Chemistry WebBook Gmelin:103005 Gmelin PMID:10509480 Europe PMC PMID:10888472 Europe PMC PMID:13532746 Europe PMC PMID:15307184 Europe PMC PMID:16661637 Europe PMC PMID:18505478 Europe PMC PMID:25281383 Europe PMC PMID:5959282 Europe PMC PMID:9129253 Europe PMC Reaxys:1246142 Reaxys 2,4-DINITROPHENOL PDBeChem 2,4-Dinitrophenol KEGG_COMPOUND 2,4-dinitrophenol IUPAC 1-hydroxy-2,4-dinitrobenzene ChemIDplus 2,4-DNP NIST_Chemistry_WebBook alpha-dinitrophenol NIST_Chemistry_WebBook An optically active form of lactic acid having (R)-configuration. 0 C3H6O3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 JVTAAEKCZFNVCJ-UWTATZPHSA-N 90.07794 90.03169 C[C@@H](O)C(O)=O CHEBI:341 CHEBI:42105 CHEBI:43701 Beilstein:1720252 CAS:10326-41-7 DrugBank:DB03066 DrugBank:DB04398 Gmelin:362718 HMDB:HMDB0001311 KEGG:C00256 KNApSAcK:C00019549 PDBeChem:LAC PMID:21842515 PMID:22127808 PMID:22277286 PMID:22344644 Reaxys:1720252 Wikipedia:Lactic_acid (2R)-2-hydroxypropanoic acid chebi_ontology (-)-lactic acid (R)-(-)-lactic acid D-2-Hydroxypropanoic acid D-2-Hydroxypropionic acid D-Lactic acid D-Milchsaeure D-lactic acid LACTIC ACID CHEBI:42111 (R)-lactic acid Beilstein:1720252 Beilstein CAS:10326-41-7 ChemIDplus CAS:10326-41-7 KEGG COMPOUND Gmelin:362718 Gmelin PMID:21842515 Europe PMC PMID:22127808 Europe PMC PMID:22277286 Europe PMC PMID:22344644 Europe PMC Reaxys:1720252 Reaxys (2R)-2-hydroxypropanoic acid IUPAC (-)-lactic acid ChemIDplus (R)-(-)-lactic acid ChemIDplus D-2-Hydroxypropanoic acid KEGG_COMPOUND D-2-Hydroxypropionic acid KEGG_COMPOUND D-Lactic acid KEGG_COMPOUND D-Milchsaeure ChEBI D-lactic acid ChemIDplus LACTIC ACID PDBeChem A methoxybenzoic acid that is the methyl ether of salicylic acid. 0 C8H8O3 InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10) ILUJQPXNXACGAN-UHFFFAOYSA-N 152.14730 152.04734 COc1ccccc1C(O)=O Beilstein:509929 CAS:579-75-9 HMDB:HMDB0032604 PMID:1650428 PMID:3425858 PMID:9252874 Reaxys:509929 Wikipedia:2-Methoxybenzoic_acid Wikipedia:O-Methoxybenzoic_acid 2-methoxybenzoic acid chebi_ontology 2-Anisic acid 2-Methoxy-benzoic acid Salicylic acid methyl ether o-Methoxybenzoic acid o-anisic acid ortho-methoxybenzoic acid CHEBI:421840 O-methylsalicylic acid Beilstein:509929 Beilstein CAS:579-75-9 ChemIDplus CAS:579-75-9 NIST Chemistry WebBook PMID:1650428 Europe PMC PMID:3425858 Europe PMC PMID:9252874 Europe PMC Reaxys:509929 Reaxys 2-methoxybenzoic acid IUPAC 2-Anisic acid ChemIDplus 2-Methoxy-benzoic acid ChEMBL Salicylic acid methyl ether ChemIDplus o-Methoxybenzoic acid ChemIDplus o-anisic acid ChEBI ortho-methoxybenzoic acid ChEBI A tetracarboxylic acid anion formed by deprotonation of all four carboxy groups in ethylenediaminetetraacetic acid (EDTA). -4 C10H12N2O8 InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4 KCXVZYZYPLLWCC-UHFFFAOYSA-J 288.214 288.06156 [O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O CHEBI:30378 AGR:IND601129247 AGR:IND605249959 Beilstein:3914756 CAS:150-43-6 Gmelin:144943 PMID:11370764 PMID:16472851 PMID:22116197 PMID:22232891 PMID:23587055 PMID:31704581 PMID:32821617 PMID:33811400 PMID:34152137 PMID:34277313 (ethane-1,2-diyldinitrilo)tetraacetate chebi_ontology (ethylenedinitrilo)tetraacetic acid, ion(4-) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate EDTA tetraanion EDTA, ion(4-) ethylenediamine tetraacetic acid tetraanion ethylenediaminetetraacetate ethylenediaminetetraacetate tetraanion CHEBI:42191 EDTA(4-) AGR:IND601129247 Europe PMC AGR:IND605249959 Europe PMC Beilstein:3914756 Beilstein CAS:150-43-6 ChemIDplus Gmelin:144943 Gmelin PMID:11370764 Europe PMC PMID:16472851 Europe PMC PMID:22116197 Europe PMC PMID:22232891 Europe PMC PMID:23587055 Europe PMC PMID:31704581 Europe PMC PMID:32821617 Europe PMC PMID:33811400 Europe PMC PMID:34152137 Europe PMC PMID:34277313 Europe PMC (ethane-1,2-diyldinitrilo)tetraacetate IUPAC (ethylenedinitrilo)tetraacetic acid, ion(4-) ChemIDplus 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate IUPAC EDTA tetraanion ChEBI EDTA, ion(4-) ChemIDplus ethylenediamine tetraacetic acid tetraanion ChEBI ethylenediaminetetraacetate IUPAC ethylenediaminetetraacetate tetraanion ChEBI An optically active form of lactic acid having (S)-configuration. 0 C3H6O3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 JVTAAEKCZFNVCJ-REOHCLBHSA-N 90.07794 90.03169 C[C@H](O)C(O)=O Beilstein:1720251 CAS:79-33-4 Gmelin:362717 HMDB:HMDB0000190 KEGG:C00186 KNApSAcK:C00001191 PMID:21996028 PMID:22336740 PMID:22367529 PMID:22424924 PMID:22443585 PMID:22461545 PMID:22534372 PMID:22538963 PMID:22578598 Reaxys:1720251 Wikipedia:Lactic_Acid (2S)-2-hydroxypropanoic acid chebi_ontology (+)-lactic acid (S)-(+)-lactic acid (S)-2-hydroxypropanoic acid (S)-2-hydroxypropionic acid L-(+)-alpha-hydroxypropionic acid L-(+)-lactic acid L-Lactic acid L-Milchsaeure CHEBI:422 (S)-lactic acid Beilstein:1720251 Beilstein CAS:79-33-4 ChemIDplus CAS:79-33-4 KEGG COMPOUND CAS:79-33-4 NIST Chemistry WebBook Gmelin:362717 Gmelin PMID:21996028 Europe PMC PMID:22336740 Europe PMC PMID:22367529 Europe PMC PMID:22424924 Europe PMC PMID:22443585 Europe PMC PMID:22461545 Europe PMC PMID:22534372 Europe PMC PMID:22538963 Europe PMC PMID:22578598 Europe PMC Reaxys:1720251 Reaxys (2S)-2-hydroxypropanoic acid IUPAC (+)-lactic acid NIST_Chemistry_WebBook (S)-(+)-lactic acid NIST_Chemistry_WebBook (S)-2-hydroxypropanoic acid NIST_Chemistry_WebBook (S)-2-hydroxypropionic acid NIST_Chemistry_WebBook L-(+)-alpha-hydroxypropionic acid ChemIDplus L-(+)-lactic acid NIST_Chemistry_WebBook L-Lactic acid KEGG_COMPOUND L-Milchsaeure ChEBI An alkane comprising of two carbon atoms. 0 C2H6 InChI=1S/C2H6/c1-2/h1-2H3 OTMSDBZUPAUEDD-UHFFFAOYSA-N 30.06904 30.04695 CC CHEBI:23975 CHEBI:42260 Beilstein:1730716 CAS:74-84-0 Gmelin:212 PMID:12826252 PMID:14664856 PMID:16236899 Reaxys:1730716 Wikipedia:Ethane ETHANE ethane chebi_ontology Aethan C2H6 CH3-CH3 Ethan R-170 bimethyl dimethyl ethyl hydride methylmethane CHEBI:42266 ethane Beilstein:1730716 Beilstein CAS:74-84-0 ChemIDplus CAS:74-84-0 NIST Chemistry WebBook Gmelin:212 Gmelin PMID:12826252 Europe PMC PMID:14664856 Europe PMC PMID:16236899 Europe PMC Reaxys:1730716 Reaxys ETHANE PDBeChem ethane IUPAC Aethan ChEBI C2H6 ChEBI CH3-CH3 IUPAC Ethan ChEBI R-170 ChEBI bimethyl NIST_Chemistry_WebBook dimethyl NIST_Chemistry_WebBook ethyl hydride NIST_Chemistry_WebBook methylmethane NIST_Chemistry_WebBook An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. 0 C37H67NO13 InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N 733.92680 733.46124 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O CHEBI:112506 CHEBI:23950 CHEBI:28672 CHEBI:42352 CHEBI:4841 CHEBI:4843 Beilstein:75000 Beilstein:75279 CAS:114-07-8 CAS:1675-02-1 DrugBank:DB00199 Drug_Central:1048 KEGG:C01912 KEGG:D00140 LINCS:LSM-3416 LIPID_MAPS_instance:LMPK04000006 MetaCyc:CPD-13804 PDBeChem:ERY Patent:US2823203 Reaxys:75279 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione ERYTHROMYCIN A Erythromycin A erythromycin chebi_ontology (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione 3''-O-demethylerythromycin Abomacetin ERYTHROMYCIN Erythromycin Erythromycin C eritromicina erthromycin erythromycin erythromycine erythromycinum CHEBI:42355 erythromycin A Beilstein:75000 Beilstein Beilstein:75279 Beilstein CAS:114-07-8 ChemIDplus CAS:114-07-8 KEGG COMPOUND CAS:1675-02-1 ChemIDplus Drug_Central:1048 DrugCentral LIPID_MAPS_instance:LMPK04000006 LIPID MAPS Reaxys:75279 Reaxys (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC ERYTHROMYCIN A PDBeChem Erythromycin A ChEMBL Erythromycin A KEGG_COMPOUND erythromycin IUPAC (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC 3''-O-demethylerythromycin ChemIDplus Abomacetin KEGG_COMPOUND ERYTHROMYCIN ChEMBL Erythromycin ChEMBL Erythromycin KEGG_COMPOUND Erythromycin C KEGG_COMPOUND eritromicina ChemIDplus erthromycin ChEBI erythromycin ChemIDplus erythromycine ChemIDplus erythromycinum ChemIDplus A labdane diterpenoid isolated from the Indian Coleus plant. 0 C22H34O7 InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1 OHCQJHSOBUTRHG-KGGHGJDLSA-N 410.50120 410.23045 [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Beilstein:4300863 CAS:66428-89-5 CAS:66575-29-9 DrugBank:DB02587 KEGG:C09076 KEGG:D03584 KNApSAcK:C00003416 PDBeChem:FOK PMID:11816015 PMID:12676767 PMID:12836714 PMID:14691682 PMID:15135319 PMID:15380183 PMID:1547891 PMID:15525467 PMID:16644480 PMID:17570033 PMID:19831022 PMID:7755573 PMID:7875530 PMID:7898427 PMID:7929167 PMID:8489512 PMID:8985363 PMID:9478958 PMID:9828101 Patent:DE2557784 Patent:US4088659 Patent:US4476140 Reaxys:4300863 Wikipedia:Forskolin (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate FORSKOLIN Forskolin chebi_ontology 7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one Coleonol Coleonolk Colforsin colforsin colforsina colforsine colforsinum CHEBI:42471 forskolin Beilstein:4300863 Beilstein CAS:66428-89-5 ChemIDplus CAS:66575-29-9 ChemIDplus CAS:66575-29-9 KEGG COMPOUND PMID:11816015 Europe PMC PMID:12676767 Europe PMC PMID:12836714 Europe PMC PMID:14691682 Europe PMC PMID:15135319 Europe PMC PMID:15380183 Europe PMC PMID:1547891 Europe PMC PMID:15525467 Europe PMC PMID:16644480 Europe PMC PMID:17570033 Europe PMC PMID:19831022 Europe PMC PMID:7755573 Europe PMC PMID:7875530 Europe PMC PMID:7898427 Europe PMC PMID:7929167 Europe PMC PMID:8489512 Europe PMC PMID:8985363 Europe PMC PMID:9478958 Europe PMC PMID:9828101 Europe PMC Reaxys:4300863 Reaxys (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate IUPAC FORSKOLIN PDBeChem Forskolin KEGG_COMPOUND 7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one ChemIDplus Coleonol KEGG_COMPOUND Coleonolk KEGG_COMPOUND Colforsin KEGG_COMPOUND colforsin ChemIDplus colforsina ChemIDplus colforsine ChemIDplus colforsinum ChemIDplus 0 CHO 29.01804 29.00274 [H]C(*)=O CHEBI:24089 CHEBI:42480 PDBeChem:FOR FORMYL GROUP aldehyde group carbaldehyde formyl chebi_ontology -CH(O) -CHO Fo H-CO- methanoyl CHEBI:42485 formyl group FORMYL GROUP PDBeChem aldehyde group IUPAC carbaldehyde IUPAC formyl IUPAC -CH(O) IUPAC -CHO IUPAC Fo CBN H-CO- IUPAC methanoyl IUPAC The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. 0 C15H10O2 InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H VHBFFQKBGNRLFZ-UHFFFAOYSA-N 222.23870 222.06808 O=c1cc(oc2ccccc12)-c1ccccc1 CHEBI:42486 CHEBI:5076 Beilstein:157598 CAS:525-82-6 DrugBank:DB07776 Gmelin:1224858 HMDB:HMDB0003075 KEGG:C10043 KEGG:C15608 KNApSAcK:C00001040 LIPID_MAPS_instance:LMPK12110097 MetaCyc:CPD-8485 PDBeChem:FLN PMID:11370674 PMID:12063116 PMID:17347140 PMID:18596412 Reaxys:157598 2-phenyl-4H-chromen-4-one Flavone flavone chebi_ontology 2-PHENYL-4H-CHROMEN-4-ONE 2-Phenyl-4-benzopyron 2-Phenyl-4-chromone 2-Phenylbenzopyran-4-one 2-phenyl-4H-1-benzopyran-4-one 2-phenyl-4H-benzopyran-4-one 2-phenyl-gamma-benzopyrone 2-phenylchromone Flavon CHEBI:42491 flavone flavone An aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl. 0 C9H10O InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 KRIOVPPHQSLHCZ-UHFFFAOYSA-N 134.17510 134.07316 CCC(=O)c1ccccc1 Beilstein:606215 CAS:93-55-0 HMDB:HMDB0032623 PDBeChem:I1E PMID:24302226 Patent:CN101759540 Reaxys:606215 Wikipedia:Propiophenone 1-phenylpropan-1-one chebi_ontology 1-Phenyl-1-propanone 1-Phenyl-propan-1-one 1-phenylpropan-1-one Ethyl phenyl ketone Phenyl ethyl ketone Propionphenone Propionylbenzene CHEBI:425902 propiophenone Beilstein:606215 Beilstein CAS:93-55-0 ChemIDplus CAS:93-55-0 NIST Chemistry WebBook PMID:24302226 Europe PMC Reaxys:606215 Reaxys 1-phenylpropan-1-one IUPAC 1-Phenyl-1-propanone ChemIDplus 1-Phenyl-propan-1-one ChEMBL 1-phenylpropan-1-one UniProt Ethyl phenyl ketone ChemIDplus Phenyl ethyl ketone ChemIDplus Propionphenone NIST_Chemistry_WebBook Propionylbenzene ChemIDplus A 1-phenylpropan-2-amine that has R configuration. 0 C9H13N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1 KWTSXDURSIMDCE-MRVPVSSYSA-N 135.20626 135.10480 C[C@@H](N)Cc1ccccc1 CHEBI:35339 CHEBI:42720 Beilstein:2432739 CAS:156-34-3 Drug_Central:1562 Gmelin:1125855 (2R)-1-phenylpropan-2-amine (R)-amphetamine chebi_ontology (-)-amphetamine (-)-phenylisopropylamine (R)-alpha-methylbenzeneethanamine (R)-alpha-methylphenethylamine levamfetamine levamphetamine CHEBI:42724 (R)-amphetamine Beilstein:2432739 Beilstein CAS:156-34-3 ChemIDplus Drug_Central:1562 DrugCentral Gmelin:1125855 Gmelin (2R)-1-phenylpropan-2-amine IUPAC (R)-amphetamine ChemIDplus (-)-amphetamine ChemIDplus (-)-phenylisopropylamine ChemIDplus (R)-alpha-methylbenzeneethanamine ChemIDplus (R)-alpha-methylphenethylamine ChemIDplus levamfetamine ChemIDplus levamphetamine ChemIDplus A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. 0 C9H17NO2 InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N 171.23680 171.12593 NCC1(CCCCC1)CC(O)=O CHEBI:5237 Beilstein:2359739 CAS:60142-96-3 DrugBank:DB00996 Drug_Central:1264 HMDB:HMDB0005015 KEGG:D00332 LINCS:LSM-5716 PDBeChem:GBN PMID:22048285 PMID:22144034 PMID:22240839 PMID:22240859 PMID:22279347 PMID:22296650 PMID:22345405 PMID:22352861 PMID:22419014 PMID:22422817 PMID:22464746 PMID:22467888 PMID:22556282 PMID:22575516 PMID:22612015 PMID:22865488 PMID:22888801 PMID:22934077 PMID:22946876 PMID:23018586 PMID:23053645 Patent:EP1140793 Patent:US2008103334 Patent:US2008269326 Patent:US2009043126 Patent:US2009292138 Patent:US2012046272 Patent:WO2005037784 Patent:WO2008060572 Patent:WO2010023694 Reaxys:2359739 VSDB:2975 Wikipedia:Gabapentin [1-(aminomethyl)cyclohexyl]acetic acid chebi_ontology 1-(Aminomethyl)cyclohexaneacetic acid Neurontin gabapentin gabapentina gabapentine gabapentinum CHEBI:42797 gabapentin Beilstein:2359739 ChemIDplus CAS:60142-96-3 ChemIDplus CAS:60142-96-3 KEGG DRUG Drug_Central:1264 DrugCentral PMID:22048285 Europe PMC PMID:22144034 Europe PMC PMID:22240839 Europe PMC PMID:22240859 Europe PMC PMID:22279347 Europe PMC PMID:22296650 Europe PMC PMID:22345405 Europe PMC PMID:22352861 Europe PMC PMID:22419014 Europe PMC PMID:22422817 Europe PMC PMID:22464746 Europe PMC PMID:22467888 Europe PMC PMID:22556282 Europe PMC PMID:22575516 Europe PMC PMID:22612015 Europe PMC PMID:22865488 Europe PMC PMID:22888801 Europe PMC PMID:22934077 Europe PMC PMID:22946876 Europe PMC PMID:23018586 Europe PMC PMID:23053645 Europe PMC Reaxys:2359739 Reaxys [1-(aminomethyl)cyclohexyl]acetic acid IUPAC 1-(Aminomethyl)cyclohexaneacetic acid ChemIDplus Neurontin DrugBank gabapentin KEGG_DRUG gabapentina WHO_MedNet gabapentine DrugBank gabapentinum DrugBank An aminocarboxamidine, the parent compound of the guanidines. 0 CH5N3 InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) ZRALSGWEFCBTJO-UHFFFAOYSA-N 59.07062 59.04835 NC(N)=N CHEBI:24435 CHEBI:42816 Beilstein:506044 CAS:113-00-8 DrugBank:DB00536 Drug_Central:1344 Gmelin:100679 PDBeChem:GAI PMID:8070089 Reaxys:506044 Wikipedia:Guanidine GUANIDINE guanidine chebi_ontology Gu H2N-C(=NH)-NH2 aminomethanamidine guanidin iminourea CHEBI:42820 guanidine Beilstein:506044 Beilstein CAS:113-00-8 ChemIDplus CAS:113-00-8 NIST Chemistry WebBook Drug_Central:1344 DrugCentral Gmelin:100679 Gmelin PMID:8070089 Europe PMC Reaxys:506044 Reaxys GUANIDINE PDBeChem guanidine IUPAC Gu ChEBI H2N-C(=NH)-NH2 IUPAC aminomethanamidine NIST_Chemistry_WebBook guanidin ChEBI iminourea NIST_Chemistry_WebBook 0 C2H6N2O InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5) BEBCJVAWIBVWNZ-UHFFFAOYSA-N 74.08192 74.04801 NCC(N)=O CHEBI:24369 CHEBI:42837 Beilstein:635783 CAS:598-41-4 DrugBank:DB03636 PDBeChem:GM1 2-aminoacetamide chebi_ontology AMINOMETHYLAMIDE Glycinamid glycine amide CHEBI:42843 glycinamide Beilstein:635783 Beilstein CAS:598-41-4 ChemIDplus CAS:598-41-4 NIST Chemistry WebBook 2-aminoacetamide IUPAC AMINOMETHYLAMIDE PDBeChem Glycinamid ChEBI glycine amide ChemIDplus An ammonium ion resulting from the protonation of the amino group of cyclohexylamine. +1 C6H14N InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1 PAFZNILMFXTMIY-UHFFFAOYSA-O 100.18210 100.11208 [NH3+]C1CCCCC1 DrugBank:DB02995 PDBeChem:HAI cyclohexanaminium chebi_ontology CYCLOHEXYLAMMONIUM ION cyclohexylamine CHEBI:42939 cyclohexylammonium cyclohexanaminium IUPAC CYCLOHEXYLAMMONIUM ION PDBeChem cyclohexylamine UniProt A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). 0 C7H16 InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 IMNFDUFMRHMDMM-UHFFFAOYSA-N 100.20194 100.12520 CCCCCCC CHEBI:32891 CHEBI:43095 Beilstein:1730763 CAS:142-82-5 Gmelin:49760 HMDB:HMDB0031447 MetaCyc:CPD-9286 PDBeChem:HP6 PMID:12226360 PMID:23544797 Wikipedia:Heptane heptane chebi_ontology CH3-[CH2]5-CH3 Heptan n-heptane CHEBI:43098 heptane Beilstein:1730763 Beilstein CAS:142-82-5 ChemIDplus CAS:142-82-5 NIST Chemistry WebBook Gmelin:49760 Gmelin PMID:12226360 Europe PMC PMID:23544797 Europe PMC heptane IUPAC CH3-[CH2]5-CH3 IUPAC Heptan NIST_Chemistry_WebBook n-heptane NIST_Chemistry_WebBook 0 HO 17.00734 17.00274 *O[H] CHEBI:24706 CHEBI:43171 PDBeChem:OH HYDROXY GROUP hydroxy hydroxy group chebi_ontology -OH hydroxyl hydroxyl group CHEBI:43176 hydroxy group HYDROXY GROUP PDBeChem hydroxy IUPAC hydroxy group UniProt -OH IUPAC hydroxyl ChEBI hydroxyl group ChEBI chebi_ontology CHEBI:43254 (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one 0 C13H18O2 InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 HEFNNWSXXWATRW-JTQLQIEISA-N 206.28082 206.13068 CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O CHEBI:35706 CHEBI:43412 Beilstein:3590020 Beilstein:3590022 CAS:51146-56-6 Drug_Central:3851 KEGG:D03715 LINCS:LSM-2323 PDBeChem:IBP (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid Dexibuprofen chebi_ontology (+)-(S)-p-isobutylhydratropic acid (2S)-2-(4-isobutylphenyl)propanoic acid (S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid IBUPROFEN d-ibuproten CHEBI:43415 dexibuprofen Beilstein:3590020 Beilstein Beilstein:3590022 Beilstein CAS:51146-56-6 ChemIDplus Drug_Central:3851 DrugCentral (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Dexibuprofen ChemIDplus (+)-(S)-p-isobutylhydratropic acid ChemIDplus (2S)-2-(4-isobutylphenyl)propanoic acid ChEBI (S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid ChemIDplus IBUPROFEN PDBeChem d-ibuproten ChemIDplus A phosphate ion that is the conjugate base of dihydrogenphosphate. -2 HO4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2 NBIIXXVUZAFLBC-UHFFFAOYSA-L 95.97930 95.96234 OP([O-])([O-])=O CHEBI:29139 CHEBI:43470 Gmelin:1998 MolBase:1628 PDBeChem:PI PDBeChem:PO4 hydrogen(tetraoxidophosphate)(2-) hydrogenphosphate hydrogentetraoxophosphate(2-) hydrogentetraoxophosphate(V) hydroxidotrioxidophosphate(2-) chebi_ontology HPO4(2-) HYDROGENPHOSPHATE ION INORGANIC PHOSPHATE GROUP [P(OH)O3](2-) [PO3(OH)](2-) hydrogen phosphate phosphate CHEBI:43474 hydrogenphosphate Gmelin:1998 Gmelin hydrogen(tetraoxidophosphate)(2-) IUPAC hydrogenphosphate IUPAC hydrogentetraoxophosphate(2-) IUPAC hydrogentetraoxophosphate(V) IUPAC hydroxidotrioxidophosphate(2-) IUPAC HPO4(2-) IUPAC HYDROGENPHOSPHATE ION PDBeChem INORGANIC PHOSPHATE GROUP PDBeChem [P(OH)O3](2-) MolBase [PO3(OH)](2-) IUPAC hydrogen phosphate ChEBI phosphate UniProt A primary aliphatic amine that is butane substituted by an amino group at position 1. 0 C4H11N InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 HQABUPZFAYXKJW-UHFFFAOYSA-N 73.13680 73.08915 CCCCN Beilstein:605269 CAS:109-73-9 DrugBank:DB03659 Gmelin:1784 MetaCyc:BUTYLAMINE PDBeChem:LYT PMID:16387436 PMID:23470444 PMID:23734590 Reaxys:605269 Wikipedia:N-Butylamine butan-1-amine chebi_ontology 1-Aminobutan 1-aminobutane 1-butanamine 1-butylamine BUTYLAMINE butanamine butylamine mono-n-butylamine monobutylamine n-Butylamin n-C4H9NH2 n-butylamine CHEBI:43799 butan-1-amine Beilstein:605269 Beilstein CAS:109-73-9 ChemIDplus CAS:109-73-9 NIST Chemistry WebBook Gmelin:1784 Gmelin PMID:16387436 Europe PMC PMID:23470444 Europe PMC PMID:23734590 Europe PMC Reaxys:605269 Reaxys butan-1-amine IUPAC 1-Aminobutan ChemIDplus 1-aminobutane ChemIDplus 1-butanamine NIST_Chemistry_WebBook 1-butylamine NIST_Chemistry_WebBook BUTYLAMINE PDBeChem butanamine NIST_Chemistry_WebBook butylamine ChemIDplus mono-n-butylamine ChemIDplus monobutylamine NIST_Chemistry_WebBook n-Butylamin ChemIDplus n-C4H9NH2 NIST_Chemistry_WebBook n-butylamine ChemIDplus An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. +1 C16H18N3S InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1 RBTBFTRPCNLSDE-UHFFFAOYSA-N 284.40034 284.12160 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Beilstein:3594217 DrugBank:DB08167 Drug_Central:1763 LINCS:LSM-4555 PDBeChem:MBT Reaxys:3594217 3,7-bis(dimethylamino)phenothiazin-5-ium chebi_ontology methylene blue cation CHEBI:43830 3,7-bis(dimethylamino)phenothiazin-5-ium Beilstein:3594217 Beilstein Drug_Central:1763 DrugCentral Reaxys:3594217 Reaxys 3,7-bis(dimethylamino)phenothiazin-5-ium IUPAC methylene blue cation ChEBI A member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)benzenecarboximidamide and in which the hydrogen attached to the azetidine nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(carboxymethyl)amino]acetyl group. 0 C22H31N5O4 InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 DKWNMCUOEDMMIN-PKOBYXMFSA-N 429.51260 429.23760 [H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=N CHEBI:73114 CAS:159776-70-2 KEGG:D07143 PDBeChem:MEL PMID:10102460 PMID:11060733 PMID:12846595 PMID:13680847 PMID:15487959 PMID:16106594 PMID:16123912 PMID:16767816 PMID:22546231 PMID:28338626 PMID:9459334 Reaxys:8090770 N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine chebi_ontology N-((R)-(((2S)-2-((-p-amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine melagatran melagatranum CHEBI:43966 melagatran CAS:159776-70-2 ChemIDplus CAS:159776-70-2 KEGG DRUG PMID:10102460 Europe PMC PMID:11060733 Europe PMC PMID:12846595 Europe PMC PMID:13680847 Europe PMC PMID:15487959 Europe PMC PMID:16106594 Europe PMC PMID:16123912 Europe PMC PMID:16767816 Europe PMC PMID:22546231 Europe PMC PMID:28338626 Europe PMC PMID:9459334 Europe PMC Reaxys:8090770 Reaxys N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine IUPAC N-((R)-(((2S)-2-((-p-amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine ChemIDplus melagatran ChemIDplus melagatran WHO_MedNet melagatranum WHO_MedNet An iminium ion obtained by dimethylation of the imino group of 4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-imine. Used in the form of its chloride salt as a green-coloured dye. +1 C23H25N2 InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1 VFCNQNZNPKRXIT-UHFFFAOYSA-N 329.45800 329.20123 CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C CAS:10309-95-2 DrugBank:DB03895 PDBeChem:MGR PMID:21487207 PMID:22236952 PMID:22526306 PMID:23122763 PMID:23199816 PMID:23203820 PMID:23286983 PMID:23296502 PMID:23323052 PMID:23978698 Reaxys:3558618 Wikipedia:Malachite_green 4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chebi_ontology N-(4-{[4-(dimethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium malachite green malachite green(1+) CHEBI:44107 malachite green cation CAS:10309-95-2 ChemIDplus PMID:21487207 Europe PMC PMID:22236952 Europe PMC PMID:22526306 Europe PMC PMID:23122763 Europe PMC PMID:23199816 Europe PMC PMID:23203820 Europe PMC PMID:23286983 Europe PMC PMID:23296502 Europe PMC PMID:23323052 Europe PMC PMID:23978698 Europe PMC Reaxys:3558618 Reaxys 4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium IUPAC N-(4-{[4-(dimethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium PDBeChem malachite green ChemIDplus malachite green(1+) ChEBI A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively. 0 C10H19N5S InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N 241.35756 241.13612 CCNc1nc(NC(C)(C)C)nc(SC)n1 CHEBI:26867 CHEBI:44152 Beilstein:611817 CAS:886-50-0 DrugBank:DB08215 KEGG:C18811 PDBeChem:MST PMID:11201052 PMID:18049772 PMID:7108146 PPDB:624 Pesticides:terbutryn Reaxys:611817 UM-BBD_compID:c0256 N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine terbutryn chebi_ontology 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE 2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine N(2)-tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine Terbutryne CHEBI:44156 terbutryn Beilstein:611817 Beilstein CAS:886-50-0 ChemIDplus CAS:886-50-0 KEGG COMPOUND CAS:886-50-0 NIST Chemistry WebBook PMID:11201052 Europe PMC PMID:18049772 Europe PMC PMID:7108146 Europe PMC Pesticides:terbutryn Alan Wood's Pesticides Reaxys:611817 Reaxys UM-BBD_compID:c0256 UM-BBD N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine IUPAC terbutryn UM-BBD 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine ChEBI 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine NIST_Chemistry_WebBook 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine UM-BBD 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE PDBeChem 2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine NIST_Chemistry_WebBook N(2)-tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine ChemIDplus N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine NIST_Chemistry_WebBook N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine ChEBI Terbutryne ChemIDplus 0 C20H22N8O5 InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 FBOZXECLQNJBKD-ZDUSSCGKSA-N 454.43960 454.17132 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O CHEBI:44183 CHEBI:6837 Beilstein:70669 CAS:59-05-2 DrugBank:DB00563 Drug_Central:1751 KEGG:C01937 KEGG:D00142 LINCS:LSM-5690 PDBeChem:MTX Patent:US2512572 Wikipedia:Methotrexate METHOTREXATE Methotrexate N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid chebi_ontology 4-amino-10-methylfolic acid 4-amino-N(10)-methylpteroylglutamic acid Emtexate Ledertrexate MTX N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid Rheumatrex Trexall methotrexate methotrexatum metotrexato CHEBI:44185 methotrexate Beilstein:70669 Beilstein CAS:59-05-2 ChemIDplus CAS:59-05-2 KEGG COMPOUND CAS:59-05-2 NIST Chemistry WebBook Drug_Central:1751 DrugCentral METHOTREXATE PDBeChem Methotrexate KEGG_COMPOUND N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid IUPAC 4-amino-10-methylfolic acid ChemIDplus 4-amino-N(10)-methylpteroylglutamic acid NIST_Chemistry_WebBook Emtexate DrugBank Ledertrexate DrugBank MTX ChemIDplus N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid NIST_Chemistry_WebBook Rheumatrex DrugBank Trexall DrugBank methotrexate KEGG_DRUG methotrexatum ChemIDplus metotrexato ChemIDplus A naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring. 0 C10H8O3S InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13) KVBGVZZKJNLNJU-UHFFFAOYSA-N 208.23472 208.01942 OS(=O)(=O)c1ccc2ccccc2c1 CHEBI:30894 CHEBI:44225 Beilstein:1955756 CAS:120-18-3 DrugBank:DB08254 Gmelin:83920 KEGG:C16202 PDBeChem:NAS PMID:24645539 PMID:25080254 Reaxys:1955756 naphthalene-2-sulfonic acid chebi_ontology 2-NAPHTHALENESULFONIC ACID 2-naphthalenesulfonic acid Naphthalene-2-sulfonate beta-naphthalenesulfonic acid beta-naphthylsulfonic acid naphthalene-2-sulphonic acid CHEBI:44229 naphthalene-2-sulfonic acid Beilstein:1955756 Beilstein CAS:120-18-3 ChemIDplus CAS:120-18-3 KEGG COMPOUND Gmelin:83920 Gmelin PMID:24645539 Europe PMC PMID:25080254 Europe PMC Reaxys:1955756 Reaxys naphthalene-2-sulfonic acid IUPAC 2-NAPHTHALENESULFONIC ACID PDBeChem 2-naphthalenesulfonic acid ChemIDplus Naphthalene-2-sulfonate KEGG_COMPOUND beta-naphthalenesulfonic acid ChemIDplus beta-naphthylsulfonic acid ChemIDplus naphthalene-2-sulphonic acid ChemIDplus A member of the class of ureas that is urea substituted by a methyl group at one of the nitrogen atoms. 0 C2H6N2O InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5) XGEGHDBEHXKFPX-UHFFFAOYSA-N 74.08180 74.04801 CNC(N)=O CAS:598-50-5 KEGG:C16363 PDBeChem:NMU PMID:24642102 Reaxys:878189 1-methylurea chebi_ontology Methyl urea Monomethylurea CHEBI:44383 N-methyl urea CAS:598-50-5 ChemIDplus PMID:24642102 Europe PMC Reaxys:878189 Reaxys 1-methylurea IUPAC Methyl urea KEGG_COMPOUND Monomethylurea ChemIDplus A member of the class of ureas that is urea in which one of the hydrogens is replaced by a hydroxy group. An antineoplastic used in the treatment of chronic myeloid leukaemia as well as for sickle-cell disease. 0 CH4N2O2 InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4) VSNHCAURESNICA-UHFFFAOYSA-N 76.05474 76.02728 NC(=O)NO CHEBI:44420 CHEBI:5816 Beilstein:1741548 CAS:127-07-1 DrugBank:DB01005 Drug_Central:1399 Gmelin:130423 HMDB:HMDB0015140 KEGG:C07044 KEGG:D00341 MetaCyc:HYDROXY-UREA PDBeChem:NHY PMID:11285159 PMID:11298103 PMID:11364534 PMID:11365149 PMID:11391710 PMID:12107454 PMID:14988684 PMID:15772364 PMID:15994344 PMID:16356682 PMID:22983419 PMID:23318979 PMID:23643402 PMID:23696560 PMID:9271088 Patent:US2705727 Reaxys:1741548 Wikipedia:Hydroxyurea Hydroxyurea N-hydroxyurea hydroxyurea chebi_ontology Hydroxycarbamid Hydroxycarbamide Hydroxyharnstoff N-HYDROXYUREA N-carbamoylhydroxylamine carbamohydroxamic acid carbamohydroximic acid carbamoyl oxime carbamyl hydroxamate hidroxicarbamida hydrea hydroxycarbamide hydroxycarbamidum oxyurea CHEBI:44423 hydroxyurea Beilstein:1741548 ChemIDplus CAS:127-07-1 ChemIDplus CAS:127-07-1 KEGG COMPOUND Drug_Central:1399 DrugCentral Gmelin:130423 Gmelin PMID:11285159 Europe PMC PMID:11298103 Europe PMC PMID:11364534 Europe PMC PMID:11365149 Europe PMC PMID:11391710 Europe PMC PMID:12107454 Europe PMC PMID:14988684 Europe PMC PMID:15772364 Europe PMC PMID:15994344 Europe PMC PMID:16356682 Europe PMC PMID:22983419 Europe PMC PMID:23318979 Europe PMC PMID:23643402 Europe PMC PMID:23696560 Europe PMC PMID:9271088 Europe PMC Reaxys:1741548 Reaxys Hydroxyurea KEGG_COMPOUND N-hydroxyurea IUPAC hydroxyurea UniProt Hydroxycarbamid ChEBI Hydroxycarbamide KEGG_COMPOUND Hydroxyharnstoff ChEBI N-HYDROXYUREA PDBeChem N-carbamoylhydroxylamine ChemIDplus carbamohydroxamic acid ChemIDplus carbamohydroximic acid ChemIDplus carbamoyl oxime ChemIDplus carbamyl hydroxamate ChemIDplus hidroxicarbamida ChemIDplus hydrea ChemIDplus hydroxycarbamide ChemIDplus hydroxycarbamide WHO_MedNet hydroxycarbamidum ChemIDplus oxyurea ChemIDplus 0 C3H2F6O InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H DPYMFVXJLLWWEU-UHFFFAOYSA-N 168.03780 168.00098 FC(F)OC(F)C(F)(F)F Beilstein:7286887 CAS:57041-67-5 DrugBank:DB01189 Drug_Central:811 KEGG:C07519 KEGG:D00546 Wikipedia:Desflurane 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane Desflurane chebi_ontology (+-)-2-difluoromethyl 1,2,2,2-tetrafluoroethyl ether 1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane Suprane difluoromethyl 1,2,2,2-tetrafluoroethyl ether CHEBI:4445 desflurane Beilstein:7286887 Beilstein CAS:57041-67-5 ChemIDplus CAS:57041-67-5 KEGG COMPOUND CAS:57041-67-5 NIST Chemistry WebBook Drug_Central:811 DrugCentral 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane IUPAC Desflurane KEGG_COMPOUND (+-)-2-difluoromethyl 1,2,2,2-tetrafluoroethyl ether ChemIDplus 1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane NIST_Chemistry_WebBook Suprane ChemIDplus difluoromethyl 1,2,2,2-tetrafluoroethyl ether IUPAC 0 C6H9NO6 InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) MGFYIUFZLHCRTH-UHFFFAOYSA-N 191.13880 191.04299 OC(=O)CN(CC(O)=O)CC(O)=O CHEBI:34889 CHEBI:44555 Beilstein:1710776 CAS:139-13-9 DrugBank:DB03040 Gmelin:3726 KEGG:C14695 PDBeChem:NTA N,N-bis(carboxymethyl)glycine NITRILOTRIACETIC ACID Nitrilotriacetic acid chebi_ontology Complexon I H3nta Komplexon I N(CH2-COOH)3 NTA Nitrilotriacetate Nitrilotriessigsaeure Triglycollamic acid Trilon A alpha,alpha',alpha''-trimethylaminetricarboxylic acid nitrilo-2,2',2''-triacetic acid tri(carboxymethyl)amine triglycine CHEBI:44557 nitrilotriacetic acid Beilstein:1710776 ChemIDplus CAS:139-13-9 ChemIDplus CAS:139-13-9 KEGG COMPOUND CAS:139-13-9 NIST Chemistry WebBook Gmelin:3726 Gmelin N,N-bis(carboxymethyl)glycine IUPAC NITRILOTRIACETIC ACID PDBeChem Nitrilotriacetic acid KEGG_COMPOUND Complexon I ChEBI H3nta IUPAC Komplexon I ChEBI N(CH2-COOH)3 IUPAC NTA ChemIDplus Nitrilotriacetate KEGG_COMPOUND Nitrilotriessigsaeure ChEBI Triglycollamic acid KEGG_COMPOUND Trilon A ChemIDplus alpha,alpha',alpha''-trimethylaminetricarboxylic acid ChemIDplus nitrilo-2,2',2''-triacetic acid ChemIDplus tri(carboxymethyl)amine ChemIDplus triglycine ChemIDplus A 1-phenylpropan-2-amine that has S configuration. 0 C9H13N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1 KWTSXDURSIMDCE-QMMMGPOBSA-N 135.20626 135.10480 C[C@H](N)Cc1ccccc1 Beilstein:2205872 CAS:51-64-9 DrugBank:DB01576 Drug_Central:841 Gmelin:1125854 KEGG:C07884 KEGG:D03740 PMID:22129527 PMID:22894820 PMID:23360956 PMID:23851485 PMID:23881044 PMID:23907377 PMID:24349338 Wikipedia:Dextroamphetamine (2S)-1-phenylpropan-2-amine (S)-amphetamine chebi_ontology (+)-(S)-amphetamine (+)-alpha-methylphenethylamine (+)-alpha-methylphenylethylamine (+)-amphetamine (S)-(+)-amphetamine (S)-(+)-beta-phenylisopropylamine (S)-1-phenyl-2-aminopropane (S)-1-phenyl-2-propylamine (S)-alpha-methylbenzeneethanamine (alphaS)-alpha-methylbenzeneethanamine Dextroamphetamine d-amphetamine dexamphetamine CHEBI:4469 (S)-amphetamine Beilstein:2205872 ChemIDplus CAS:51-64-9 ChemIDplus CAS:51-64-9 KEGG COMPOUND CAS:51-64-9 NIST Chemistry WebBook Drug_Central:841 DrugCentral Gmelin:1125854 Gmelin PMID:22129527 Europe PMC PMID:22894820 Europe PMC PMID:23360956 Europe PMC PMID:23851485 Europe PMC PMID:23881044 Europe PMC PMID:23907377 Europe PMC PMID:24349338 Europe PMC (2S)-1-phenylpropan-2-amine IUPAC (S)-amphetamine NIST_Chemistry_WebBook (+)-(S)-amphetamine ChemIDplus (+)-alpha-methylphenethylamine NIST_Chemistry_WebBook (+)-alpha-methylphenylethylamine NIST_Chemistry_WebBook (+)-amphetamine ChEBI (S)-(+)-amphetamine ChemIDplus (S)-(+)-beta-phenylisopropylamine NIST_Chemistry_WebBook (S)-1-phenyl-2-aminopropane ChemIDplus (S)-1-phenyl-2-propylamine ChemIDplus (S)-alpha-methylbenzeneethanamine ChemIDplus (alphaS)-alpha-methylbenzeneethanamine ChemIDplus Dextroamphetamine KEGG_COMPOUND d-amphetamine ChemIDplus dexamphetamine NIST_Chemistry_WebBook A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough. 0 C18H25NO InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 MKXZASYAUGDDCJ-NJAFHUGGSA-N 271.404 271.19361 C=1C=2C[C@H]3[C@@]4([C@](C2C=C(C1)OC)(CCCC4)CCN3C)[H] CHEBI:92579 CAS:125-71-3 DrugBank:DB00514 Drug_Central:842 HMDB:HMDB0001920 KEGG:C06947 KEGG:D03742 LINCS:LSM-2726 PMID:10869398 PMID:12711372 PMID:15505150 PMID:17157116 PMID:17461892 PMID:17573115 PMID:18160193 PMID:18198471 PMID:24269965 PMID:2660263 PMID:31094746 PMID:7976530 PMID:8158182 PMID:9705419 Reaxys:88549 Wikipedia:Dextromethorphan (4aS,10S,10aS)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan chebi_ontology (+)-3-methoxy-N-methylmorphinan (+)-dextromethorphan (9alpha,13alpha,14alpha)-3-methoxy-17-methylmorphinan 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan Albutussin Antussan BA 2666 BA-2666 Balminil DM Benylin DM Calmylin D-methorphan DXM Delsym Dextromorphan Medicon Romilar Tusilan d-Methorphan destrometerfano dextromethorfan dextromethorphan dextromethorphane dextromethorphanum dextrometorfano CHEBI:4470 dextromethorphan CAS:125-71-3 ChemIDplus CAS:125-71-3 KEGG COMPOUND CAS:125-71-3 NIST Chemistry WebBook Drug_Central:842 DrugCentral PMID:10869398 Europe PMC PMID:12711372 Europe PMC PMID:15505150 Europe PMC PMID:17157116 Europe PMC PMID:17461892 Europe PMC PMID:17573115 Europe PMC PMID:18160193 Europe PMC PMID:18198471 Europe PMC PMID:24269965 Europe PMC PMID:2660263 Europe PMC PMID:31094746 Europe PMC PMID:7976530 Europe PMC PMID:8158182 Europe PMC PMID:9705419 Europe PMC Reaxys:88549 Reaxys (4aS,10S,10aS)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene IUPAC 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan IUPAC (+)-3-methoxy-N-methylmorphinan ChemIDplus (+)-dextromethorphan DrugCentral (9alpha,13alpha,14alpha)-3-methoxy-17-methylmorphinan ChemIDplus 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan NIST_Chemistry_WebBook Albutussin ChemIDplus Antussan ChEBI BA 2666 ChemIDplus BA-2666 ChEBI Balminil DM ChEBI Benylin DM HMDB Calmylin ChEBI D-methorphan NIST_Chemistry_WebBook DXM ChemIDplus Delsym NIST_Chemistry_WebBook Dextromorphan ChemIDplus Medicon NIST_Chemistry_WebBook Romilar NIST_Chemistry_WebBook Tusilan NIST_Chemistry_WebBook d-Methorphan DrugCentral destrometerfano ChemIDplus dextromethorfan ChemIDplus dextromethorphan WHO_MedNet dextromethorphane WHO_MedNet dextromethorphanum WHO_MedNet dextrometorfano WHO_MedNet A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. 0 C26H54NO7P InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1 HVAUUPRFYPCOCA-AREMUKBSSA-N 523.68320 523.36379 CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O CAS:74389-68-7 DrugBank:DB02261 LIPID_MAPS_instance:LMGP01020046 PDBeChem:PFS PMID:19075994 PMID:19827129 PMID:20431963 PMID:21347278 PMID:21804199 PMID:22924390 PMID:23169529 Reaxys:3574588 Wikipedia:Platelet-activating_factor (2R)-2-acetoxy-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate chebi_ontology (R)-7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphapentacosan-1-aminium hydroxide inner salt 4-oxide 1-O-hexadecyl PAF 1-O-hexadecyl-2-O-acetyl-sn-glycero-3-phosophocholine 1-O-hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine 1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine 1-O-hexadecyl-2-acetyl-sn-glyceryl-3-phosphorylcholine 1-O-hexadecyl-platelet-activating factor 1-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine C16 PAF C16-PAF C16:0 PAF PAF Platelet activating factor platelet-activating factor platelet-activating factor C16 CHEBI:44811 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine CAS:74389-68-7 ChemIDplus LIPID_MAPS_instance:LMGP01020046 LIPID MAPS PMID:19075994 Europe PMC PMID:19827129 Europe PMC PMID:20431963 Europe PMC PMID:21347278 Europe PMC PMID:21804199 Europe PMC PMID:22924390 Europe PMC PMID:23169529 Europe PMC Reaxys:3574588 Reaxys (2R)-2-acetoxy-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC (R)-7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphapentacosan-1-aminium hydroxide inner salt 4-oxide ChEBI 1-O-hexadecyl PAF ChEBI 1-O-hexadecyl-2-O-acetyl-sn-glycero-3-phosophocholine ChemIDplus 1-O-hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine ChemIDplus 1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine UniProt 1-O-hexadecyl-2-acetyl-sn-glyceryl-3-phosphorylcholine ChemIDplus 1-O-hexadecyl-platelet-activating factor ChemIDplus 1-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine LIPID_MAPS C16 PAF ChEBI C16-PAF ChEBI C16:0 PAF ChEBI PAF ChEBI Platelet activating factor ChemIDplus platelet-activating factor ChEBI platelet-activating factor C16 ChemIDplus An alkyl alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. 0 C5H12O InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 AMQJEAYHLZJPGS-UHFFFAOYSA-N 88.14818 88.08882 CCCCCO Beilstein:1730975 CAS:71-41-0 Gmelin:25922 HMDB:HMDB0013036 KEGG:C16834 MetaCyc:PENTANOL PDBeChem:PE9 PMID:16348804 PMID:21485271 PMID:8033286 Reaxys:1730975 Wikipedia:1-Pentanol pentan-1-ol chebi_ontology 1-pentanol 1-pentol 1-pentyl alcohol Amylalkohol Pentylalkohol alcool amylique amyl alcohol, normal amylol butylcarbinol n-Amylalkohol n-C5H11OH n-amyl alcohol n-butylcarbinol n-pentan-1-ol n-pentyl alcohol pentanol-1 pentyl alcohol primary amyl alcohol CHEBI:44884 pentan-1-ol Beilstein:1730975 ChemIDplus CAS:71-41-0 ChemIDplus CAS:71-41-0 NIST Chemistry WebBook Gmelin:25922 Gmelin PMID:16348804 Europe PMC PMID:21485271 Europe PMC PMID:8033286 Europe PMC Reaxys:1730975 Reaxys pentan-1-ol IUPAC 1-pentanol NIST_Chemistry_WebBook 1-pentol NIST_Chemistry_WebBook 1-pentyl alcohol ChemIDplus Amylalkohol ChEBI Pentylalkohol ChEBI alcool amylique ChemIDplus amyl alcohol, normal ChemIDplus amylol ChemIDplus butylcarbinol ChemIDplus n-Amylalkohol ChemIDplus n-C5H11OH NIST_Chemistry_WebBook n-amyl alcohol ChemIDplus n-butylcarbinol NIST_Chemistry_WebBook n-pentan-1-ol ChemIDplus n-pentyl alcohol ChemIDplus pentanol-1 ChemIDplus pentyl alcohol ChemIDplus primary amyl alcohol ChemIDplus A member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10. 0 C19H22N2OS InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 NOSIYYJFMPDDSA-UHFFFAOYSA-N 326.45686 326.14528 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O CHEBI:37967 CHEBI:44928 Beilstein:40187 CAS:61-00-7 DrugBank:DB01614 Drug_Central:73 HMDB:HMDB0015552 KEGG:D07065 LINCS:LSM-4609 PDBeChem:PMZ PMID:23627379 PMID:23642485 PMID:24171559 PMID:24575797 Patent:US4213981 Reaxys:40187 Wikipedia:Acepromazine 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone acepromazine chebi_ontology 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE 10-(3-dimethylaminopropyl)phenothiazin-3-yl methyl ketone 10-(3-dimethylaminopropyl)phenothiazine-3-ethylone acetazine acetopromazine acetylpromazine CHEBI:44932 acepromazine Beilstein:40187 Beilstein CAS:61-00-7 ChemIDplus CAS:61-00-7 NIST Chemistry WebBook Drug_Central:73 DrugCentral PMID:23627379 Europe PMC PMID:23642485 Europe PMC PMID:24171559 Europe PMC PMID:24575797 Europe PMC Reaxys:40187 Reaxys 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone IUPAC acepromazine NIST_Chemistry_WebBook 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE PDBeChem 10-(3-dimethylaminopropyl)phenothiazin-3-yl methyl ketone ChemIDplus 10-(3-dimethylaminopropyl)phenothiazine-3-ethylone ChemIDplus acetazine NIST_Chemistry_WebBook acetopromazine ChemIDplus acetylpromazine ChemIDplus A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids. 0 H3O3P InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3) ABLZXFCXXLZCGV-UHFFFAOYSA-N 81.99580 81.98198 OP(O)=O CHEBI:26067 CAS:13598-36-2 Gmelin:1619 KEGG:C06701 PDBeChem:PHS Reaxys:1209272 Wikipedia:Phosphonic_acid Phosphonic acid dihydrogen hydridotrioxophosphate(2-) hydridodihydroxidooxidophosphorus hydridotrioxophosphoric(2-) acid phosphonic acid chebi_ontology (HO)2HPO H2PHO3 H3PO3 HPO(OH)2 Phosphite Phosphonate Phosphonsaeure [PHO(OH)2] CHEBI:44976 phosphonic acid CAS:13598-36-2 ChemIDplus CAS:13598-36-2 KEGG COMPOUND CAS:13598-36-2 NIST Chemistry WebBook Gmelin:1619 Gmelin Reaxys:1209272 Reaxys Phosphonic acid KEGG_COMPOUND dihydrogen hydridotrioxophosphate(2-) IUPAC hydridodihydroxidooxidophosphorus IUPAC hydridotrioxophosphoric(2-) acid IUPAC phosphonic acid ChEBI (HO)2HPO NIST_Chemistry_WebBook H2PHO3 IUPAC H3PO3 ChEBI HPO(OH)2 IUPAC Phosphite KEGG_COMPOUND Phosphonate KEGG_COMPOUND Phosphonsaeure ChEBI [PHO(OH)2] IUPAC 0 C2Cl2 InChI=1S/C2Cl2/c3-1-2-4 ZMJOVJSTYLQINE-UHFFFAOYSA-N 94.927 93.93771 ClC#CCl CAS:7572-29-4 KEGG:C11089 Dichloroacetylene chebi_ontology CHEBI:4503 Dichloroacetylene CAS:7572-29-4 KEGG COMPOUND Dichloroacetylene KEGG_COMPOUND A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid. -3 O3P InChI=1S/O3P/c1-4(2)3/q-3 AQSJGOWTSHOLKH-UHFFFAOYSA-N 78.97196 78.96015 [O-]P([O-])[O-] CHEBI:29197 CHEBI:45060 Gmelin:68617 PDBeChem:PO3 trioxidophosphate(3-) trioxophosphate(3-) trioxophosphate(III) chebi_ontology PHOSPHITE ION PO3(3-) Phosphit [PO3](3-) phosphite CHEBI:45064 phosphite(3-) Gmelin:68617 Gmelin trioxidophosphate(3-) IUPAC trioxophosphate(3-) IUPAC trioxophosphate(III) IUPAC PHOSPHITE ION PDBeChem PO3(3-) IUPAC Phosphit ChEBI [PO3](3-) IUPAC phosphite IUPAC A racemate composed of equimolar amounts of (R)- and (S)-diclofop-methyl. A proherbicide for diclofop, it is used for the control of wild oats and annual weeds in wheat, barley, rye and broad-leaved crops. 0 C16H14Cl2O4 341.180 340.02691 AGR:IND605810753 CAS:51338-27-3 DrugBank:DB13918 KEGG:C11021 PMID:25307187 PMID:26501920 PMID:28115148 PMID:29626997 PMID:31352076 PMID:31524045 PPDB:221 Pesticides:diclofop-methyl Reaxys:2224754 rac-methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate chebi_ontology (+-)-diclofop-methyl (RS)-diclofop-methyl HOE 23408 HOE-23408 Hoegrass Hoelon Illoxan dichlorfop-methyl diclofop methyl diclofop methyl ester methyldiclofop CHEBI:4510 diclofop-methyl AGR:IND605810753 Europe PMC CAS:51338-27-3 ChemIDplus CAS:51338-27-3 NIST Chemistry WebBook PMID:25307187 Europe PMC PMID:26501920 Europe PMC PMID:28115148 Europe PMC PMID:29626997 Europe PMC PMID:31352076 Europe PMC PMID:31524045 Europe PMC Pesticides:diclofop-methyl Alan Wood's Pesticides Reaxys:2224754 Reaxys rac-methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate IUPAC (+-)-diclofop-methyl ChemIDplus (RS)-diclofop-methyl ChEBI HOE 23408 ChemIDplus HOE-23408 ChEBI Hoegrass ChemIDplus Hoelon ChemIDplus Illoxan ChemIDplus dichlorfop-methyl ChemIDplus diclofop methyl KEGG_COMPOUND diclofop methyl ester ChemIDplus methyldiclofop ChemIDplus A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. 0 C5H10O2 InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) IUGYQRQAERSCNH-UHFFFAOYSA-N 102.13170 102.06808 CC(C)(C)C(O)=O CHEBI:35815 CHEBI:45132 Beilstein:969480 CAS:75-98-9 Gmelin:82375 HMDB:HMDB0041992 LIPID_MAPS_instance:LMFA01020073 PDBeChem:PIV PMID:16430936 PMID:17724113 PMID:21509470 PMID:22566287 PMID:22790609 Reaxys:969480 Wikipedia:Pivalic_acid 2,2-dimethylpropanoic acid PIVALIC ACID chebi_ontology 2,2-dimethylpropionic acid Pivalinsaeure acide 2,2-dimethylpropanoique acide pivalique acido pivalico alpha,alpha-dimethylpropionic acid dimethylpropionic acid neopentanoic acid tert-pentanoic acid trimethylacetic acid CHEBI:45133 pivalic acid Beilstein:969480 Beilstein CAS:75-98-9 ChemIDplus CAS:75-98-9 NIST Chemistry WebBook Gmelin:82375 Gmelin LIPID_MAPS_instance:LMFA01020073 LIPID MAPS PMID:16430936 Europe PMC PMID:17724113 Europe PMC PMID:21509470 Europe PMC PMID:22566287 Europe PMC PMID:22790609 Europe PMC Reaxys:969480 Reaxys 2,2-dimethylpropanoic acid IUPAC PIVALIC ACID PDBeChem 2,2-dimethylpropionic acid ChemIDplus Pivalinsaeure ChEBI acide 2,2-dimethylpropanoique ChEBI acide pivalique ChEBI acido pivalico ChEBI alpha,alpha-dimethylpropionic acid NIST_Chemistry_WebBook dimethylpropionic acid NIST_Chemistry_WebBook neopentanoic acid ChemIDplus tert-pentanoic acid NIST_Chemistry_WebBook trimethylacetic acid ChemIDplus A divalent inorganic anion obtained by removal of both protons from diphosphoric acid. -2 H2O7P2 InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2 XPPKVPWEQAFLFU-UHFFFAOYSA-L 175.95920 175.92867 OP([O-])(=O)OP(O)([O-])=O CHEBI:33018 CHEBI:45208 DrugBank:DB02212 Gmelin:185085 PDBeChem:POP dihydrogen diphosphate chebi_ontology H2P2O7(2-) PYROPHOSPHATE 2- CHEBI:45212 diphosphate(2-) Gmelin:185085 Gmelin dihydrogen diphosphate IUPAC H2P2O7(2-) IUPAC PYROPHOSPHATE 2- PDBeChem A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position. 0 C6H8N2O2S InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N 172.20600 172.03065 Nc1ccc(cc1)S(N)(=O)=O CHEBI:45370 CHEBI:9333 Beilstein:511852 CAS:63-74-1 DrugBank:DB00259 Drug_Central:2521 Gmelin:83068 HMDB:HMDB0014404 KEGG:C07458 KEGG:D08543 LINCS:LSM-6524 PDBeChem:SAN PMID:22214209 PMID:22342371 PMID:22974493 PMID:23061287 PMID:23065453 PMID:23122138 PMID:23294218 PMID:23476893 PMID:23561569 PMID:2420897 PMID:9639594 Reaxys:511852 VSDB:1924 Wikipedia:Sulfanilamide 4-aminobenzenesulfonamide SULFANILAMIDE Sulfanilamide chebi_ontology 4-aminobenzene sulfonic acid amide 4-azanylbenzenesulfonamide Prontosil album SA Streptocide Sulfamine p-aminobenzenesulfamide p-aminobenzenesulfonamide para-aminobenzenesulfonamide sulfamine sulphanilamide CHEBI:45373 sulfanilamide Beilstein:511852 Beilstein CAS:63-74-1 ChemIDplus CAS:63-74-1 KEGG COMPOUND CAS:63-74-1 NIST Chemistry WebBook Drug_Central:2521 DrugCentral Gmelin:83068 Gmelin PMID:22214209 Europe PMC PMID:22342371 Europe PMC PMID:22974493 Europe PMC PMID:23061287 Europe PMC PMID:23065453 Europe PMC PMID:23122138 Europe PMC PMID:23294218 Europe PMC PMID:23476893 Europe PMC PMID:23561569 Europe PMC PMID:2420897 Europe PMC PMID:9639594 Europe PMC Reaxys:511852 Reaxys 4-aminobenzenesulfonamide IUPAC SULFANILAMIDE PDBeChem Sulfanilamide KEGG_COMPOUND 4-aminobenzene sulfonic acid amide ChEBI 4-azanylbenzenesulfonamide IUPAC Prontosil album KEGG_COMPOUND SA ChEBI Streptocide NIST_Chemistry_WebBook Sulfamine KEGG_COMPOUND p-aminobenzenesulfamide NIST_Chemistry_WebBook p-aminobenzenesulfonamide NIST_Chemistry_WebBook para-aminobenzenesulfonamide ChEBI sulfamine NIST_Chemistry_WebBook sulphanilamide ChEBI An amino acid consisting of carbamic acid having an N-methyl substituent. 0 C2H5NO2 InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5) UFEJKYYYVXYMMS-UHFFFAOYSA-N 75.067 75.03203 CNC(O)=O CHEBI:38464 CHEBI:45374 Beilstein:1738994 CAS:6414-57-9 PDBeChem:RGI PMID:13663920 PMID:18491873 PMID:21311787 PMID:21687849 PMID:22382393 PMID:28083911 PMID:33146910 Reaxys:1738994 methylcarbamic acid chebi_ontology Methylcarbamidsaeure N-methylcarbamic acid CHEBI:45379 methylcarbamic acid Beilstein:1738994 Beilstein CAS:6414-57-9 ChemIDplus PMID:13663920 Europe PMC PMID:18491873 Europe PMC PMID:21311787 Europe PMC PMID:21687849 Europe PMC PMID:22382393 Europe PMC PMID:28083911 Europe PMC PMID:33146910 Europe PMC Reaxys:1738994 Reaxys methylcarbamic acid IUPAC Methylcarbamidsaeure ChEBI N-methylcarbamic acid ChEBI An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. 0 C37H48N6O5S2 InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 NCDNCNXCDXHOMX-XGKFQTDJSA-N 720.94400 720.31276 CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 CHEBI:8873 CAS:155213-67-5 Drug_Central:2391 HMDB:HMDB0014646 KEGG:C07240 KEGG:D00427 LINCS:LSM-5623 PDBeChem:RIT PMID:11363086 PMID:11363184 PMID:11363300 PMID:11363329 PMID:11363397 PMID:11363517 PMID:11996889 PMID:24202050 PMID:8568292 PMID:9140265 PMID:9278209 PMID:9585800 Reaxys:768009 Wikipedia:Ritonavir N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide chebi_ontology ritonavir CHEBI:45409 ritonavir CAS:155213-67-5 ChemIDplus CAS:155213-67-5 KEGG COMPOUND Drug_Central:2391 DrugCentral PMID:11363086 Europe PMC PMID:11363184 Europe PMC PMID:11363300 Europe PMC PMID:11363329 Europe PMC PMID:11363397 Europe PMC PMID:11363517 Europe PMC PMID:11996889 Europe PMC PMID:24202050 Europe PMC PMID:8568292 Europe PMC PMID:9140265 Europe PMC PMID:9278209 Europe PMC PMID:9585800 Europe PMC Reaxys:768009 Reaxys N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide IUPAC ritonavir ChemIDplus The (R)-enantiomer of 2-methylbutanoic acid. 0 C5H10O2 InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1 WLAMNBDJUVNPJU-SCSAIBSYSA-N 102.13170 102.06808 CC[C@@H](C)C(O)=O CHEBI:38654 CHEBI:45523 Beilstein:1720484 Gmelin:1041646 PDBeChem:SMB PMID:2026560 (2R)-2-methylbutanoic acid chebi_ontology (2R)-2-methylbutyric acid 2-METHYLBUTANOIC ACID CHEBI:45525 (R)-2-methylbutyric acid Beilstein:1720484 Beilstein Gmelin:1041646 Gmelin PMID:2026560 Europe PMC (2R)-2-methylbutanoic acid IUPAC (2R)-2-methylbutyric acid ChEBI 2-METHYLBUTANOIC ACID PDBeChem A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. 0 C7H14O2 InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N 130.18486 130.09938 CCCCCCC(O)=O CHEBI:24519 CHEBI:45568 Beilstein:1744723 CAS:111-14-8 DrugBank:DB02938 Gmelin:142428 HMDB:HMDB0000666 KEGG:C17714 LIPID_MAPS_instance:LMFA01010007 MetaCyc:CPD-7619 PDBeChem:SHV PMID:23999410 Reaxys:1744723 Wikipedia:Heptanoic_acid HEPTANOIC ACID heptanoic acid chebi_ontology CH3-[CH2]5-COOH Heptansaeure Oenanthsaeure enanthic acid enanthylic acid heptoic acid heptylic acid n-heptanoic acid n-heptoic acid n-heptylic acid oenanthic acid oenanthylic acid CHEBI:45571 heptanoic acid Beilstein:1744723 Beilstein CAS:111-14-8 ChemIDplus CAS:111-14-8 KEGG COMPOUND CAS:111-14-8 NIST Chemistry WebBook Gmelin:142428 Gmelin LIPID_MAPS_instance:LMFA01010007 LIPID MAPS PMID:23999410 Europe PMC Reaxys:1744723 Reaxys HEPTANOIC ACID PDBeChem heptanoic acid IUPAC CH3-[CH2]5-COOH IUPAC Heptansaeure ChEBI Oenanthsaeure ChemIDplus enanthic acid NIST_Chemistry_WebBook enanthylic acid ChemIDplus heptoic acid NIST_Chemistry_WebBook heptylic acid NIST_Chemistry_WebBook n-heptanoic acid NIST_Chemistry_WebBook n-heptoic acid ChemIDplus n-heptylic acid ChemIDplus oenanthic acid ChemIDplus oenanthylic acid ChemIDplus 0 C12H26O4S InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15) MOTZDAYCYVMXPC-UHFFFAOYSA-N 266.39844 266.15518 CCCCCCCCCCCCOS(O)(=O)=O CHEBI:32953 CHEBI:45595 Beilstein:1710530 CAS:151-41-7 Gmelin:220505 PDBeChem:SDS dodecyl hydrogen sulfate chebi_ontology DODECYL SULFATE lauryl sulfuric acid monododecyl hydrogen sulfate sulfuric acid, monododecyl ester CHEBI:45599 dodecyl hydrogen sulfate Beilstein:1710530 ChemIDplus CAS:151-41-7 ChemIDplus Gmelin:220505 Gmelin dodecyl hydrogen sulfate IUPAC DODECYL SULFATE PDBeChem lauryl sulfuric acid ChemIDplus monododecyl hydrogen sulfate ChemIDplus sulfuric acid, monododecyl ester ChemIDplus -1 HO4S InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1 QAOWNCQODCNURD-UHFFFAOYSA-M 97.07154 96.96010 [H]OS([O-])(=O)=O CHEBI:29199 CHEBI:45693 Gmelin:2121 hydrogen(tetraoxidosulfate)(1-) hydrogensulfate hydrogensulfate(1-) hydrogentetraoxosulfate(1-) hydrogentetraoxosulfate(VI) hydroxidotrioxidosulfate(1-) chebi_ontology HSO4(-) HYDROGEN SULFATE [SO3(OH)](-) CHEBI:45696 hydrogensulfate Gmelin:2121 Gmelin hydrogen(tetraoxidosulfate)(1-) IUPAC hydrogensulfate IUPAC hydrogensulfate(1-) IUPAC hydrogentetraoxosulfate(1-) IUPAC hydrogentetraoxosulfate(VI) IUPAC hydroxidotrioxidosulfate(1-) IUPAC HSO4(-) IUPAC HYDROGEN SULFATE PDBeChem [SO3(OH)](-) IUPAC A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark. 0 C47H51NO14 InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 RCINICONZNJXQF-MZXODVADSA-N 853.90618 853.33096 [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHEBI:45862 CHEBI:7887 CAS:33069-62-4 DrugBank:DB01229 Drug_Central:2044 KEGG:C07394 KEGG:D00491 KNApSAcK:C00002365 PDBeChem:TA1 Wikipedia:Paclitaxel 4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate Paclitaxel chebi_ontology (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester 5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine TAXOL Taxol A taxol CHEBI:45863 paclitaxel CAS:33069-62-4 ChemIDplus CAS:33069-62-4 KEGG COMPOUND Drug_Central:2044 DrugCentral 4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate IUPAC Paclitaxel KEGG_COMPOUND (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester ChemIDplus 5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine ChemIDplus TAXOL PDBeChem Taxol A ChemIDplus taxol UniProt A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. 0 C4H10O InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 DKGAVHZHDRPRBM-UHFFFAOYSA-N 74.12160 74.07316 CC(C)(C)O CHEBI:26877 CHEBI:45893 Beilstein:906698 CAS:75-65-0 Gmelin:1833 HMDB:HMDB0031456 PDBeChem:TBU PMID:11409007 PMID:11452135 Reaxys:906698 UM-BBD_compID:c0516 Wikipedia:Tert-Butyl_alcohol 2-methylpropan-2-ol tert-butanol chebi_ontology (CH3)3C-OH 1,1-dimethylethanol TERTIARY-BUTYL ALCOHOL t-Butylalkohol t-butanol t-butyl alchohol tert-butyl alcohol trimethylcarbinol trimethylmethanol CHEBI:45895 tert-butanol Beilstein:906698 Beilstein CAS:75-65-0 ChemIDplus CAS:75-65-0 NIST Chemistry WebBook Gmelin:1833 Gmelin PMID:11409007 Europe PMC PMID:11452135 Europe PMC Reaxys:906698 Reaxys UM-BBD_compID:c0516 UM-BBD 2-methylpropan-2-ol IUPAC tert-butanol NIST_Chemistry_WebBook tert-butanol UniProt (CH3)3C-OH IUPAC 1,1-dimethylethanol NIST_Chemistry_WebBook TERTIARY-BUTYL ALCOHOL PDBeChem t-Butylalkohol ChEBI t-butanol NIST_Chemistry_WebBook t-butyl alchohol NIST_Chemistry_WebBook tert-butyl alcohol NIST_Chemistry_WebBook trimethylcarbinol NIST_Chemistry_WebBook trimethylmethanol NIST_Chemistry_WebBook An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. 0 C14H18N4O3 InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N 290.318 290.13789 C=1(CC=2C(=NC(N)=NC2)N)C=C(C(OC)=C(C1)OC)OC CHEBI:45921 CHEBI:9731 Beilstein:625127 CAS:738-70-5 DrugBank:DB00440 Drug_Central:2755 Gmelin:808843 HMDB:HMDB0014583 KEGG:C01965 KEGG:D00145 LINCS:LSM-5246 PDBeChem:TOP PMID:10423629 PMID:10969053 PMID:11051625 PMID:14629008 PMID:15203044 PMID:16311012 PMID:18816075 PMID:25111783 PMID:25361939 PMID:26546758 PMID:26566149 PMID:26942256 PMID:26987772 PMID:28166217 PMID:7602118 PMID:8911701 Reaxys:625127 VSDB:1745 Wikipedia:Trimethoprim 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine TRIMETHOPRIM Trimethoprim chebi_ontology 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine Proloprim Trimpex CHEBI:45924 trimethoprim Beilstein:625127 Beilstein CAS:738-70-5 ChemIDplus CAS:738-70-5 KEGG COMPOUND CAS:738-70-5 NIST Chemistry WebBook Drug_Central:2755 DrugCentral Gmelin:808843 Gmelin PMID:10423629 Europe PMC PMID:10969053 Europe PMC PMID:11051625 Europe PMC PMID:14629008 Europe PMC PMID:15203044 Europe PMC PMID:16311012 Europe PMC PMID:18816075 Europe PMC PMID:25111783 Europe PMC PMID:25361939 Europe PMC PMID:26546758 Europe PMC PMID:26566149 Europe PMC PMID:26942256 Europe PMC PMID:26987772 Europe PMC PMID:28166217 Europe PMC PMID:7602118 Europe PMC PMID:8911701 Europe PMC Reaxys:625127 Reaxys 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine IUPAC TRIMETHOPRIM PDBeChem Trimethoprim KEGG_COMPOUND 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine NIST_Chemistry_WebBook 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine NIST_Chemistry_WebBook Proloprim ChemIDplus Trimpex ChemIDplus A member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium. thiabendazole http://langual.org 0 C10H7N3S InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N 201.24800 201.03607 c1nc(cs1)-c1nc2ccccc2[nH]1 CHEBI:45977 CHEBI:9526 Beilstein:611403 CAS:148-79-8 Codex::233 DrugBank:DB00730 Drug_Central:2621 Europe::233 HMDB:HMDB0014868 KEGG:D00372 LINCS:LSM-3741 MetaCyc:THIABENDAZOLE PDBeChem:TMG PMID:11226373 PMID:13900465 PMID:23790859 PMID:9009055 PPDB:629 Patent:US3017415 Pesticides:thiabendazole Reaxys:611403 VSDB:629 Wikipedia:Thiabendazole http://www.langual.org/langual_thesaurus.asp?termid=B3307 2-(1,3-thiazol-4-yl)-1H-benzimidazole Thiabendazole chebi_ontology 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE 2-(1,3-thiazol-4-yl)benzimidazole 2-(4-thiazolyl)-1H-benzimidazole 2-(thiazol-4-yl)benzimidazole 4-(2-benzimidazolyl)thiazole Equizole MK 360 Mintezol TBZ Thibenzole Tiabendazole CHEBI:45979 LanguaL term definition: Food additive; technological purpose(s): preservative. thiabendazole Beilstein:611403 Beilstein CAS:148-79-8 ChemIDplus CAS:148-79-8 NIST Chemistry WebBook Drug_Central:2621 DrugCentral PMID:11226373 Europe PMC PMID:13900465 Europe PMC PMID:23790859 Europe PMC PMID:9009055 Europe PMC Pesticides:thiabendazole Alan Wood's Pesticides Reaxys:611403 Reaxys 2-(1,3-thiazol-4-yl)-1H-benzimidazole IUPAC Thiabendazole KEGG_COMPOUND 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE PDBeChem 2-(1,3-thiazol-4-yl)benzimidazole Alan_Wood's_Pesticides 2-(4-thiazolyl)-1H-benzimidazole Alan_Wood's_Pesticides 2-(thiazol-4-yl)benzimidazole Alan_Wood's_Pesticides 4-(2-benzimidazolyl)thiazole ChemIDplus Equizole ChemIDplus MK 360 ChemIDplus Mintezol KEGG_DRUG TBZ ChemIDplus Thibenzole ChemIDplus Tiabendazole KEGG_COMPOUND An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. 0 C7H5NS InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H IOJUPLGTWVMSFF-UHFFFAOYSA-N 135.18734 135.01427 c1ccc2scnc2c1 Beilstein:109468 CAS:95-16-9 DrugBank:DB08624 HMDB:HMDB0032930 PDBeChem:THZ PMID:15750776 PMID:18568896 PMID:23500410 PMID:24248888 Reaxys:109468 UM-BBD_compID:c1128 Wikipedia:Benzothiazole 1,3-benzothiazole BENZOTHIAZOLE chebi_ontology 1-Thia-3-azaindene BT Benzosulfonazole Benzothiazol CHEBI:45993 benzothiazole Beilstein:109468 Beilstein CAS:95-16-9 ChemIDplus CAS:95-16-9 NIST Chemistry WebBook PMID:15750776 Europe PMC PMID:18568896 Europe PMC PMID:23500410 Europe PMC PMID:24248888 Europe PMC Reaxys:109468 Reaxys UM-BBD_compID:c1128 UM-BBD 1,3-benzothiazole IUPAC BENZOTHIAZOLE PDBeChem 1-Thia-3-azaindene ChemIDplus BT ChEBI Benzosulfonazole ChemIDplus Benzothiazol NIST_Chemistry_WebBook 0 C17H22N2O3 InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 RTKIYFITIVXBLE-QEQCGCAPSA-N 302.36826 302.16304 C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO CHEBI:39145 CHEBI:46022 Beilstein:5291761 CAS:58880-19-6 DrugBank:DB04297 HMDB:HMDB0259177 KNApSAcK:C00016002 PDBeChem:TSN PMID:10490031 PMID:15346199 PMID:16010430 PMID:18285338 PMID:19038231 PMID:21504214 PMID:25075551 PMID:27454931 PMID:30395713 PMID:31755702 PMID:32880591 PMID:33983895 PMID:34086940 Wikipedia:Trichostatin_A (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide TRICHOSTATIN A chebi_ontology (2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide TSA CHEBI:46024 trichostatin A Beilstein:5291761 Beilstein CAS:58880-19-6 ChemIDplus PMID:10490031 Europe PMC PMID:15346199 Europe PMC PMID:16010430 Europe PMC PMID:18285338 Europe PMC PMID:19038231 Europe PMC PMID:21504214 Europe PMC PMID:25075551 Europe PMC PMID:27454931 Europe PMC PMID:30395713 Europe PMC PMID:31755702 Europe PMC PMID:32880591 Europe PMC PMID:33983895 Europe PMC PMID:34086940 Europe PMC (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide IUPAC TRICHOSTATIN A PDBeChem (2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide ChemIDplus TSA ChemIDplus A trinitrotoluene having the nitro groups at positions 2, 4 and 6. 0 C7H5N3O6 InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 SPSSULHKWOKEEL-UHFFFAOYSA-N 227.13110 227.01783 Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O CHEBI:19337 CHEBI:46051 Beilstein:1887900 CAS:118-96-7 DrugBank:DB01676 KEGG:C16391 PDBeChem:TNL PMID:19427119 PMID:20219247 PMID:28845964 Reaxys:1887900 Wikipedia:Trinitrotoluene 2,4,6-Trinitrotoluene 2,4,6-trinitrotoluene 2-methyl-1,3,5-trinitrobenzene chebi_ontology 1-methyl-2,4,6-trinitrobenzene 2,4,6-TNT 2,4,6-Trinitrotoluol TNT Trinitrotoluen Trinitrotoluol Tritol Trotyl alpha-TNT s-Trinitrotoluol s-trinitrotoluene sym-Trinitrotoluol trinitrotoluene CHEBI:46053 2,4,6-trinitrotoluene Beilstein:1887900 Beilstein CAS:118-96-7 ChemIDplus CAS:118-96-7 KEGG COMPOUND CAS:118-96-7 NIST Chemistry WebBook PMID:19427119 Europe PMC PMID:20219247 Europe PMC PMID:28845964 Europe PMC Reaxys:1887900 Reaxys 2,4,6-Trinitrotoluene KEGG_COMPOUND 2,4,6-trinitrotoluene PDBeChem 2-methyl-1,3,5-trinitrobenzene IUPAC 1-methyl-2,4,6-trinitrobenzene ChemIDplus 2,4,6-TNT NIST_Chemistry_WebBook 2,4,6-Trinitrotoluol ChemIDplus TNT ChemIDplus Trinitrotoluen ChEBI Trinitrotoluol ChEBI Tritol ChemIDplus Trotyl ChemIDplus alpha-TNT NIST_Chemistry_WebBook s-Trinitrotoluol ChemIDplus s-trinitrotoluene ChemIDplus sym-Trinitrotoluol ChemIDplus trinitrotoluene NIST_Chemistry_WebBook 0 C2H3N3 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) NSPMIYGKQJPBQR-UHFFFAOYSA-N 69.06544 69.03270 c1nnc[nH]1 CHEBI:35548 CHEBI:46076 Beilstein:605619 CAS:63598-71-0 Gmelin:323206 PDBeChem:TRI 4H-1,2,4-triazole chebi_ontology 1,2,4-TRIAZOLE CHEBI:46077 4H-1,2,4-triazole Beilstein:605619 Beilstein CAS:63598-71-0 ChemIDplus CAS:63598-71-0 NIST Chemistry WebBook Gmelin:323206 Gmelin 4H-1,2,4-triazole IUPAC 1,2,4-TRIAZOLE PDBeChem A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. 0 C13H12F2N6O InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 RFHAOTPXVQNOHP-UHFFFAOYSA-N 306.27080 306.10407 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F CHEBI:46079 CHEBI:5099 Beilstein:4269710 CAS:86386-73-4 DrugBank:DB00196 Drug_Central:1187 HMDB:HMDB0014342 KEGG:D00322 LINCS:LSM-2106 PDBeChem:TPF PMID:11366931 PMID:16822276 PMID:23171950 PMID:23793863 Patent:GB2099818 Patent:US4404216 Reaxys:7311650 Wikipedia:Fluconazole 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol fluconazole chebi_ontology 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL Biozole Diflucan Elazor Triflucan fluconazol fluconazole fluconazolum CHEBI:46081 fluconazole Beilstein:4269710 Beilstein CAS:86386-73-4 ChemIDplus Drug_Central:1187 DrugCentral PMID:11366931 Europe PMC PMID:16822276 Europe PMC PMID:23171950 Europe PMC PMID:23793863 Europe PMC Reaxys:7311650 Reaxys 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol IUPAC fluconazole UniProt 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol ChemIDplus 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL PDBeChem Biozole ChEBI Diflucan ChEBI Elazor ChemIDplus Triflucan ChEBI fluconazol ChemIDplus fluconazole ChemIDplus fluconazole WHO_MedNet fluconazolum ChemIDplus 0 C10H10O4 InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 NIQCNGHVCWTJSM-UHFFFAOYSA-N 194.184 194.05791 COC(=O)c1ccccc1C(=O)OC CAS:131-11-3 Drug_Central:4771 KEGG:C11233 PPDB:2989 VSDB:2989 Dimethyl phthalate dimethyl phthalate chebi_ontology CHEBI:4609 Dimethyl phthalate CAS:131-11-3 KEGG COMPOUND Drug_Central:4771 DrugCentral Dimethyl phthalate KEGG_COMPOUND dimethyl phthalate DrugCentral A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions. 0 C6H3N3O7 InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H OXNIZHLAWKMVMX-UHFFFAOYSA-N 229.10390 228.99710 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O CHEBI:32972 CHEBI:46148 Beilstein:423400 CAS:88-89-1 DrugBank:DB03651 Drug_Central:4626 Gmelin:5312 MetaCyc:CPD-17566 PDBeChem:TNF PMID:9317162 Reaxys:423400 Wikipedia:Picric_acid 2,4,6-trinitrophenol PICRIC ACID chebi_ontology 2-hydroxy-1,3,5-trinitrobenzene C.I. 10305 CI 10305 Pikrinsaeure TNP acide picrique CHEBI:46149 picric acid Beilstein:423400 Beilstein CAS:88-89-1 ChemIDplus CAS:88-89-1 NIST Chemistry WebBook Drug_Central:4626 DrugCentral Gmelin:5312 Gmelin PMID:9317162 Europe PMC Reaxys:423400 Reaxys 2,4,6-trinitrophenol IUPAC PICRIC ACID PDBeChem 2-hydroxy-1,3,5-trinitrobenzene NIST_Chemistry_WebBook C.I. 10305 ChemIDplus CI 10305 ChemIDplus Pikrinsaeure ChemIDplus TNP ChEBI acide picrique ChemIDplus A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. 0 C8H9NO2 InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N 151.16260 151.06333 CC(=O)Nc1ccc(O)cc1 CHEBI:2386 CHEBI:46191 Beilstein:2208089 CAS:103-90-2 Chemspider:1906 DrugBank:DB00316 Drug_Central:52 HMDB:HMDB0001859 KEGG:C06804 KEGG:D00217 LINCS:LSM-5533 MetaCyc:CPD-7669 PDBeChem:TYL PMID:11084378 PMID:11304127 PMID:16716555 PMID:18953082 PMID:21108564 PMID:22114686 PMID:22770225 PMID:25128677 PMID:25962350 PMID:27320817 PMID:28734939 PMID:29398597 PMID:7602118 Reaxys:2208089 Wikipedia:Acetaminophen N-(4-hydroxyphenyl)acetamide Paracetamol chebi_ontology 4'-hydroxyacetanilide 4-(Acetylamino)phenol 4-acetamidophenol APAP Acenol Acetaminofen Acetaminophen N-acetyl-p-aminophenol Panadol Tylenol acetaminofen acetaminophene p-Acetylaminophenol p-acetamidophenol p-acetaminophenol p-hydroxyacetanilide p-hydroxyphenolacetamide paracetamol paracetamolum CHEBI:46195 paracetamol Beilstein:2208089 Beilstein CAS:103-90-2 ChemIDplus CAS:103-90-2 KEGG COMPOUND CAS:103-90-2 NIST Chemistry WebBook Drug_Central:52 DrugCentral PMID:11084378 Europe PMC PMID:11304127 Europe PMC PMID:16716555 Europe PMC PMID:18953082 Europe PMC PMID:21108564 Europe PMC PMID:22114686 Europe PMC PMID:22770225 Europe PMC PMID:25128677 Europe PMC PMID:25962350 Europe PMC PMID:27320817 Europe PMC PMID:28734939 Europe PMC PMID:29398597 Europe PMC PMID:7602118 Europe PMC Reaxys:2208089 Reaxys N-(4-hydroxyphenyl)acetamide IUPAC Paracetamol KEGG_COMPOUND 4'-hydroxyacetanilide ChemIDplus 4-(Acetylamino)phenol ChemIDplus 4-acetamidophenol NIST_Chemistry_WebBook 4-acetamidophenol UniProt APAP DrugBank Acenol ChemIDplus Acetaminofen ChemIDplus Acetaminophen KEGG_COMPOUND N-acetyl-p-aminophenol ChEBI Panadol ChEBI Tylenol KEGG_DRUG acetaminofen ChemIDplus acetaminophene ChEBI p-Acetylaminophenol ChemIDplus p-acetamidophenol NIST_Chemistry_WebBook p-acetaminophenol NIST_Chemistry_WebBook p-hydroxyacetanilide NIST_Chemistry_WebBook p-hydroxyphenolacetamide NIST_Chemistry_WebBook paracetamol KEGG_DRUG paracetamol WHO_MedNet paracetamolum ChemIDplus An amino aldehyde that is L-tyrosine in which the carboxy group has undergone formal redution to give the corrresponding aldehyde 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1 DXGAIOIQACHYRK-QMMMGPOBSA-N 165.189 165.07898 O=C[C@@H](N)CC=1C=CC(=CC1)O CHEBI:46188 MetaCyc:CPD-21526 PDBeChem:TYB PMID:23281040 (2S)-2-amino-3-(4-hydroxyphenyl)propanal chebi_ontology (2S)-2-amino-3-(p-hydroxyphenyl)propanal L-tyr aldehyde TYROSINAL CHEBI:46209 L-tyrosinal PMID:23281040 Europe PMC (2S)-2-amino-3-(4-hydroxyphenyl)propanal IUPAC (2S)-2-amino-3-(p-hydroxyphenyl)propanal ChEBI L-tyr aldehyde ChEBI TYROSINAL PDBeChem A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration. coenzyme Q10 A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. 0 C7H8N2S InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) FULZLIGZKMKICU-UHFFFAOYSA-N 152.21700 152.04082 NC(=S)Nc1ccccc1 CAS:103-85-5 DrugBank:DB03694 MetaCyc:CPD-7084 PDBeChem:URS PMID:13914407 PMID:20484932 PMID:21534859 PMID:22656649 PMID:22690050 PMID:22761952 PMID:23598058 PMID:25962731 PMID:26005654 PMID:26226450 PMID:27402661 PMID:4113332 PMID:834304 Reaxys:907309 Wikipedia:Phenylthiocarbamide 1-phenylthiourea chebi_ontology 1-phenyl-2-thiourea PTC PTU PhNHC(=S)NH2 PhNHC(S)NH2 PhNHCSNH2 alpha-phenylthiourea monophenyl thiourea phenyl-2-thiourea phenylthiocarbamide phenylthiourea CHEBI:46261 N-phenylthiourea CAS:103-85-5 ChemIDplus CAS:103-85-5 NIST Chemistry WebBook PMID:13914407 Europe PMC PMID:20484932 Europe PMC PMID:21534859 Europe PMC PMID:22656649 Europe PMC PMID:22690050 Europe PMC PMID:22761952 Europe PMC PMID:23598058 Europe PMC PMID:25962731 Europe PMC PMID:26005654 Europe PMC PMID:26226450 Europe PMC PMID:27402661 Europe PMC PMID:4113332 Europe PMC PMID:834304 Europe PMC Reaxys:907309 Reaxys 1-phenylthiourea IUPAC 1-phenyl-2-thiourea ChemIDplus PTC ChEBI PTU ChemIDplus PhNHC(=S)NH2 ChEBI PhNHC(S)NH2 ChEBI PhNHCSNH2 ChEBI alpha-phenylthiourea NIST_Chemistry_WebBook monophenyl thiourea ChEBI phenyl-2-thiourea NIST_Chemistry_WebBook phenylthiocarbamide ChemIDplus phenylthiourea ChemIDplus A sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone. 0 C27H42O3 InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 WQLVFSAGQJTQCK-VKROHFNGSA-N 414.62060 414.31340 [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 CHEBI:67838 CAS:512-04-9 KEGG:C08898 KNApSAcK:C00003576 LIPID_MAPS_instance:LMST01080037 PMID:20622501 PMID:21391660 PMID:21990007 PMID:22266324 PMID:22719792 PMID:22754381 PMID:22837815 PMID:22901014 PMID:22904823 PMID:23246979 PMID:23302635 PMID:23423339 Patent:US3019220 Reaxys:94582 Wikipedia:Diosgenin (3beta,25R)-spirost-5-en-3-ol diosgenin chebi_ontology (20R,25R)-spirost-5-en-3beta-ol (25R)-spirost-5-en-3beta-ol nitogenin CHEBI:4629 diosgenin diosgenin A straight-chain alkane with 11 carbon atoms. 0 C11H24 InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 RSJKGSCJYJTIGS-UHFFFAOYSA-N 156.30826 156.18780 CCCCCCCCCCC CHEBI:32899 CHEBI:46341 Beilstein:1697099 CAS:1120-21-4 Gmelin:142928 MetaCyc:CPD-9289 PDBeChem:UND Reaxys:1697099 Wikipedia:Undecane UNDECANE undecane chebi_ontology CH3-[CH2]9-CH3 Hendekan Undekan hendecane n-undecane CHEBI:46342 undecane Beilstein:1697099 ChemIDplus CAS:1120-21-4 ChemIDplus CAS:1120-21-4 NIST Chemistry WebBook Gmelin:142928 Gmelin Reaxys:1697099 Reaxys UNDECANE PDBeChem undecane IUPAC CH3-[CH2]9-CH3 IUPAC Hendekan ChEBI Undekan ChEBI hendecane NIST_Chemistry_WebBook n-undecane NIST_Chemistry_WebBook A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. 0 C4H3FN2O2 InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) GHASVSINZRGABV-UHFFFAOYSA-N 130.07730 130.01786 Fc1c[nH]c(=O)[nH]c1=O CHEBI:2054 CHEBI:46343 Beilstein:127172 CAS:51-21-8 DrugBank:DB00544 Drug_Central:26 HMDB:HMDB0014684 KEGG:C07649 KEGG:D00584 LINCS:LSM-4261 PDBeChem:URF PMID:11356943 PMID:12520460 PMID:14769231 PMID:19023200 Reaxys:127172 Wikipedia:Fluorouracil 5-Fluorouracil 5-fluoropyrimidine-2,4(1H,3H)-dione 5-fluorouracil chebi_ontology 5-FU 5-Fluoracil 5-Fluoropyrimidine-2,4-dione Fluorouracil fluorouracil fluorouracilo fluorouracilum CHEBI:46345 5-fluorouracil Beilstein:127172 Beilstein CAS:51-21-8 ChemIDplus CAS:51-21-8 KEGG COMPOUND Drug_Central:26 DrugCentral PMID:11356943 Europe PMC PMID:12520460 Europe PMC PMID:14769231 Europe PMC PMID:19023200 Europe PMC Reaxys:127172 Reaxys 5-Fluorouracil KEGG_COMPOUND 5-fluoropyrimidine-2,4(1H,3H)-dione IUPAC 5-fluorouracil IUPAC 5-FU KEGG_COMPOUND 5-Fluoracil ChemIDplus 5-Fluoropyrimidine-2,4-dione ChemIDplus Fluorouracil KEGG_COMPOUND fluorouracil ChemIDplus fluorouracil WHO_MedNet fluorouracilo ChemIDplus fluorouracilum ChemIDplus A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. 0 C21H27NO InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2 OGAKLTJNUQRZJU-UHFFFAOYSA-N 309.44522 309.20926 OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 Beilstein:265884 CAS:972-02-1 DrugBank:DB01231 Drug_Central:313 HMDB:HMDB0015361 KEGG:C06961 KEGG:D03858 LINCS:LSM-2008 PMID:25573083 PMID:25596445 Patent:GB683950 Patent:US2411664 Reaxys:265884 Wikipedia:Diphenidol 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol Diphenidol chebi_ontology Diphenyl(3-(1-piperidyl)propyl)carbinol alpha,alpha-Diphenyl-1-piperidinebutanol difenidol difenidolum CHEBI:4638 diphenidol Beilstein:265884 Beilstein CAS:972-02-1 ChemIDplus CAS:972-02-1 KEGG COMPOUND Drug_Central:313 DrugCentral PMID:25573083 Europe PMC PMID:25596445 Europe PMC Reaxys:265884 Reaxys 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol IUPAC Diphenidol KEGG_COMPOUND Diphenyl(3-(1-piperidyl)propyl)carbinol ChemIDplus alpha,alpha-Diphenyl-1-piperidinebutanol ChemIDplus difenidol ChemIDplus difenidol WHO_MedNet difenidolum WHO_MedNet An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. 0 C12H11N InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H DMBHHRLKUKUOEG-UHFFFAOYSA-N 169.22248 169.08915 N(c1ccccc1)c1ccccc1 Beilstein:508755 CAS:122-39-4 Gmelin:67833 HMDB:HMDB0032562 KEGG:C11016 MetaCyc:CPD-9937 PMID:16172927 PMID:16336182 PMID:23200380 PMID:23311914 PMID:6446435 PMID:8192920 PPDB:1335 Pesticides:diphenylamine Reaxys:508755 Wikipedia:Diphenylamine Diphenylamine N-phenylaniline chebi_ontology (phenylamino)benzene C6H5-NH-C6H5 DPA N,N-diphenylamine N-phenylbenzenamine anilinobenzene CHEBI:4640 diphenylamine Beilstein:508755 Beilstein CAS:122-39-4 ChemIDplus CAS:122-39-4 KEGG COMPOUND CAS:122-39-4 NIST Chemistry WebBook Gmelin:67833 Gmelin PMID:16172927 Europe PMC PMID:16336182 Europe PMC PMID:23200380 Europe PMC PMID:23311914 Europe PMC PMID:6446435 Europe PMC PMID:8192920 Europe PMC Pesticides:diphenylamine Alan Wood's Pesticides Reaxys:508755 Reaxys Diphenylamine KEGG_COMPOUND N-phenylaniline IUPAC (phenylamino)benzene NIST_Chemistry_WebBook C6H5-NH-C6H5 IUPAC DPA NIST_Chemistry_WebBook N,N-diphenylamine ChemIDplus N-phenylbenzenamine ChemIDplus anilinobenzene NIST_Chemistry_WebBook The (S,S,S)-stereoisomer of alpha-tocopherol. (S,S,S)-alpha-tocopherol A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms. -3 O4V InChI=1S/4O.V/q;3*-1; LSGOVYNHVSXFFJ-UHFFFAOYSA-N 114.93910 114.92526 [O-][V]([O-])([O-])=O CHEBI:10617 CHEBI:46439 CAS:14333-18-7 COMe:MOL000160 Gmelin:2106 KEGG:C11627 MolBase:48 PDBeChem:VO4 PMID:12151384 PMID:16529963 PMID:16921521 PMID:19689775 PMID:2959372 Wikipedia:Vanadate tetraoxidovanadate(3-) chebi_ontology VANADATE ION VO4(3-) [VO4](3-) ortho-Vanadate orthovanadate tetraoxovanadate(3-) tetraoxovanadate(V) vanadate CHEBI:46442 vanadate(3-) CAS:14333-18-7 ChemIDplus CAS:14333-18-7 KEGG COMPOUND Gmelin:2106 Gmelin PMID:12151384 Europe PMC PMID:16529963 Europe PMC PMID:16921521 Europe PMC PMID:19689775 Europe PMC PMID:2959372 Europe PMC tetraoxidovanadate(3-) IUPAC VANADATE ION PDBeChem VO4(3-) IUPAC [VO4](3-) MolBase ortho-Vanadate KEGG_COMPOUND orthovanadate ChEBI tetraoxovanadate(3-) ChEBI tetraoxovanadate(V) ChEBI vanadate ChemIDplus An organic disulfide that results from the formal oxidative dimerisation of N,N-diethyldithiocarbamic acid. A multi-enzyme inhibitor that is used in alcohol aversion therapy and also exhibits anticancer properties. 0 C10H20N2S4 InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3 AUZONCFQVSMFAP-UHFFFAOYSA-N 296.544 296.05093 S(SC(N(CC)CC)=S)C(N(CC)CC)=S CAS:97-77-8 DrugBank:DB00822 Drug_Central:928 HMDB:HMDB0014960 KEGG:C01692 KEGG:D00131 LINCS:LSM-5467 MetaCyc:DISULFIRAM PMID:10841824 PMID:11005259 PMID:11716515 PMID:14978246 PMID:15325261 PMID:15709459 PMID:16426571 PMID:16661923 PMID:16666414 PMID:16880974 PMID:17079463 PMID:17579916 PMID:17667894 PMID:18579431 PMID:19720750 PMID:19782464 PMID:19787200 PMID:21471244 PMID:24496638 PMID:25133664 PMID:25445071 PMID:25464072 PMID:25476326 PMID:25495604 PMID:25557293 PMID:25565438 PMID:25657800 PMID:25777347 PMID:26033731 PMID:26224731 PMID:26235918 PMID:26239994 PMID:26314552 PMID:26517513 PMID:26550292 PMID:31151194 PMID:32963852 PMID:32971817 PMID:33731397 PMID:34012274 PMID:34045896 PMID:8442800 PMID:8572926 Pesticides:disulfiram Reaxys:1712560 Wikipedia:Disulfiram 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane Disulfiram chebi_ontology 1,1'-dithiobis(N,N-diethylthioformamide) Antabuse N,N,N',N'-tetraethylthiuram disulfide Tetraethylthiuram disulfide bis(diethylthiocarbamoyl) disulfide tetraethylthioperoxydicarbonic diamide tetraethylthiuram disulfide tetraethylthiuram disulphide CHEBI:4659 disulfiram CAS:97-77-8 ChemIDplus CAS:97-77-8 KEGG COMPOUND CAS:97-77-8 NIST Chemistry WebBook Drug_Central:928 DrugCentral PMID:10841824 Europe PMC PMID:11005259 Europe PMC PMID:11716515 Europe PMC PMID:14978246 Europe PMC PMID:15325261 Europe PMC PMID:15709459 Europe PMC PMID:16426571 Europe PMC PMID:16661923 Europe PMC PMID:16666414 Europe PMC PMID:16880974 Europe PMC PMID:17079463 Europe PMC PMID:17579916 Europe PMC PMID:17667894 Europe PMC PMID:18579431 Europe PMC PMID:19720750 Europe PMC PMID:19782464 Europe PMC PMID:19787200 Europe PMC PMID:21471244 Europe PMC PMID:24496638 Europe PMC PMID:25133664 Europe PMC PMID:25445071 Europe PMC PMID:25464072 Europe PMC PMID:25476326 Europe PMC PMID:25495604 Europe PMC PMID:25557293 Europe PMC PMID:25565438 Europe PMC PMID:25657800 Europe PMC PMID:25777347 Europe PMC PMID:26033731 Europe PMC PMID:26224731 Europe PMC PMID:26235918 Europe PMC PMID:26239994 Europe PMC PMID:26314552 Europe PMC PMID:26517513 Europe PMC PMID:26550292 Europe PMC PMID:31151194 Europe PMC PMID:32963852 Europe PMC PMID:32971817 Europe PMC PMID:33731397 Europe PMC PMID:34012274 Europe PMC PMID:34045896 Europe PMC PMID:8442800 Europe PMC PMID:8572926 Europe PMC Pesticides:disulfiram Alan Wood's Pesticides Reaxys:1712560 Reaxys 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane IUPAC Disulfiram KEGG_COMPOUND 1,1'-dithiobis(N,N-diethylthioformamide) ChemIDplus Antabuse KEGG_DRUG N,N,N',N'-tetraethylthiuram disulfide NIST_Chemistry_WebBook Tetraethylthiuram disulfide KEGG_COMPOUND bis(diethylthiocarbamoyl) disulfide ChemIDplus tetraethylthioperoxydicarbonic diamide ChemIDplus tetraethylthiuram disulfide ChemIDplus tetraethylthiuram disulphide NIST_Chemistry_WebBook 0 O 15.99940 15.99491 O=* CHEBI:29353 CHEBI:44607 PDBeChem:O OXO GROUP oxo chebi_ontology =O CHEBI:46629 oxo group OXO GROUP PDBeChem oxo IUPAC =O IUPAC A compound that contains two ketone functionalities. Wikipedia:Diketone diketones chebi_ontology CHEBI:46640 diketone diketones IUPAC An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. 0 C4H10O InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N 74.12160 74.07316 CC(C)CO Beilstein:1730878 CAS:78-83-1 Gmelin:49282 HMDB:HMDB0006006 KEGG:C14710 PMID:24305546 PMID:24430208 Reaxys:1730878 Wikipedia:Isobutanol YMDB:YMDB00573 2-methylpropan-1-ol isobutanol chebi_ontology 1-Hydroxymethylpropane 1-hydroxymethylpropane 2-Methyl-1-propanol 2-methyl-1-propanol 2-methylpropanol IBA Isobutylalkohol i-Butanol i-Butyl alcohol iso-C4H9OH iso-butyl alcohol isobutyl alcohol isopropylcarbinol CHEBI:46645 isobutanol Beilstein:1730878 ChemIDplus CAS:78-83-1 ChemIDplus CAS:78-83-1 KEGG COMPOUND CAS:78-83-1 NIST Chemistry WebBook Gmelin:49282 Gmelin PMID:24305546 Europe PMC PMID:24430208 Europe PMC Reaxys:1730878 Reaxys 2-methylpropan-1-ol IUPAC isobutanol ChemIDplus isobutanol UniProt 1-Hydroxymethylpropane KEGG_COMPOUND 1-hydroxymethylpropane ChemIDplus 2-Methyl-1-propanol KEGG_COMPOUND 2-methyl-1-propanol NIST_Chemistry_WebBook 2-methylpropanol NIST_Chemistry_WebBook IBA NIST_Chemistry_WebBook Isobutylalkohol NIST_Chemistry_WebBook i-Butanol NIST_Chemistry_WebBook i-Butyl alcohol NIST_Chemistry_WebBook iso-C4H9OH NIST_Chemistry_WebBook iso-butyl alcohol ChemIDplus isobutyl alcohol ChemIDplus isopropylcarbinol NIST_Chemistry_WebBook nitrite salt Fibrous incombustible mineral composed of magnesium and calcium silicates with or without other elements. CAS:1332-21-4 KEGG:C16442 asbestos chebi_ontology Asbest asbesto CHEBI:46661 asbestos CAS:1332-21-4 ChemIDplus CAS:1332-21-4 KEGG COMPOUND asbestos ChemIDplus Asbest ChemIDplus asbesto ChEBI In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals'). Wikipedia:Mineral mineral chebi_ontology Minerale minerales minerals mineraux CHEBI:46662 mineral mineral ChEBI Minerale ChEBI minerales ChEBI minerals ChEBI mineraux ChEBI chebi_ontology Silikat Silikate Silikatminerale silicate minerals silicates silicato silicatos CHEBI:46663 silicate mineral Silikat ChEBI Silikate ChEBI Silikatminerale ChEBI silicate minerals ChEBI silicates ChEBI silicato ChEBI silicatos ChEBI Any carboxylic ester derivative of an amino acid. amino acid ester chebi_ontology amino acid esters CHEBI:46668 amino acid ester amino acid ester ChEBI amino acid esters ChEBI chebi_ontology azaalkanes CHEBI:46686 azaalkane azaalkanes ChEBI chebi_ontology diazaalkanes CHEBI:46687 diazaalkane diazaalkanes ChEBI 0 C22H28N2O5 InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1 JVHNBFFHWQQPLL-WOXROFTLSA-N 400.46820 400.19982 [H][C@]12C[C@@H](O)[C@H](OC)[C@@H](C(O)=O)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 Beilstein:98529 CAS:83-60-3 LINCS:LSM-2712 (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid reserpic acid chebi_ontology 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylic acid reserpinolic acid CHEBI:46690 reserpic acid Beilstein:98529 Beilstein CAS:83-60-3 ChemIDplus (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid IUPAC reserpic acid ChemIDplus 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylic acid ChemIDplus reserpinolic acid ChemIDplus A compound derived from a hydrocarbon by replacing one or more hydrogen atoms with fluorine atoms. chebi_ontology FKW Fluorkohlenwasserstoffe HFC fluorohydrocarbons CHEBI:46695 fluorohydrocarbon FKW ChEBI Fluorkohlenwasserstoffe ChEBI HFC ChEBI fluorohydrocarbons ChEBI Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton. chebi_ontology benzoxazoles CHEBI:46700 benzoxazole benzoxazoles ChEBI chebi_ontology pyrrolidinemonocarboxylic acids CHEBI:46701 pyrrolidinemonocarboxylic acid pyrrolidinemonocarboxylic acids ChEBI A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. 0 C43H53NO14 InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 ZDZOTLJHXYCWBA-VCVYQWHSSA-N 807.87920 807.34661 [H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 Beilstein:4290183 CAS:114977-28-5 DrugBank:DB01248 KEGG:C11231 KEGG:D07866 PDBeChem:TXL Patent:EP253738 Patent:US4814470 Wikipedia:Docetaxel 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate Docetaxel anhydrous chebi_ontology Docetaxel N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol TXL CHEBI:4672 docetaxel anhydrous Beilstein:4290183 Beilstein CAS:114977-28-5 ChemIDplus CAS:114977-28-5 KEGG COMPOUND 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate IUPAC Docetaxel anhydrous KEGG_COMPOUND Docetaxel KEGG_COMPOUND N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel ChEBI N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol ChEBI TXL DrugBank chebi_ontology carbonate salts CHEBI:46721 carbonate salt carbonate salts ChEBI chebi_ontology oxide minerals CHEBI:46725 oxide mineral oxide minerals ChEBI chebi_ontology oxabicycloalkanes CHEBI:46733 oxabicycloalkane oxabicycloalkanes ChEBI Any molecule that contains two amino-acid residues connected by peptide linkages. dipeptide chebi_ontology N-acylpyrrolidines CHEBI:46766 N-acylpyrrolidine N-acylpyrrolidines ChEBI chebi_ontology pyrrolidinecarboxylic acids CHEBI:46767 pyrrolidinecarboxylic acid pyrrolidinecarboxylic acids ChEBI chebi_ontology pyrrolidinecarboxamides CHEBI:46770 pyrrolidinecarboxamide pyrrolidinecarboxamides ChEBI Any ether that contains more than one ether linkage. polyether chebi_ontology polyethers CHEBI:46774 polyether polyether ChEBI polyethers ChEBI chebi_ontology N-alkylpyrrolidines CHEBI:46775 N-alkylpyrrolidine N-alkylpyrrolidines ChEBI A polyether that is the dimethyl ether derivative of diethylene glycol. 0 C6H14O3 InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3 SBZXBUIDTXKZTM-UHFFFAOYSA-N 134.17356 134.09429 COCCOCCOC CHEBI:43776 Beilstein:1736101 CAS:111-96-6 DrugBank:DB02935 Gmelin:26843 PDBeChem:M2M PMID:12003540 PMID:23552701 Reaxys:1736101 Wikipedia:Diglyme 1-methoxy-2-(2-methoxyethoxy)ethane Diglyme chebi_ontology 2,2'-oxybis(1-methoxyethane) 2,2'-oxybis[1-(methyloxy)ethane] 2,5,8-trioxanonane CH3-O-CH2-CH2-O-CH2-CH2-O-CH3 bis(2-methoxyethyl) ether di(2-methoxyethyl) ether diethylene glycol dimethyl ether CHEBI:46784 diglyme Beilstein:1736101 ChemIDplus CAS:111-96-6 ChemIDplus CAS:111-96-6 NIST Chemistry WebBook Gmelin:26843 Gmelin PMID:12003540 Europe PMC PMID:23552701 Europe PMC Reaxys:1736101 Reaxys 1-methoxy-2-(2-methoxyethoxy)ethane IUPAC Diglyme ChemIDplus 2,2'-oxybis(1-methoxyethane) ChEBI 2,2'-oxybis[1-(methyloxy)ethane] ChEBI 2,5,8-trioxanonane NIST_Chemistry_WebBook CH3-O-CH2-CH2-O-CH2-CH2-O-CH3 IUPAC bis(2-methoxyethyl) ether ChemIDplus di(2-methoxyethyl) ether NIST_Chemistry_WebBook diethylene glycol dimethyl ether ChemIDplus A polyether in which the number of ether linkages is 2. diether chebi_ontology diethers CHEBI:46786 diether diether ChEBI diethers ChEBI A liquid that can dissolve other substances (solutes) without any change in their chemical composition. Wikipedia:Solvent chebi_ontology Loesungsmittel solvant solvents CHEBI:46787 solvent Loesungsmittel ChEBI solvant ChEBI solvents ChEBI A hydroxyether that is the ethyl ether derivative of ethylene glycol. 0 C4H10O2 InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 ZNQVEEAIQZEUHB-UHFFFAOYSA-N 90.12100 90.06808 CCOCCO CHEBI:34272 CHEBI:42340 Beilstein:1098271 CAS:110-80-5 DrugBank:DB02249 Gmelin:82142 HMDB:HMDB0031213 KEGG:C14687 PDBeChem:ETX PMID:12209180 PMID:24399739 PMID:2625497 PMID:7151721 Reaxys:1098271 Wikipedia:2-Ethoxyethanol 2-ETHOXYETHANOL 2-Ethoxyethanol 2-ethoxyethanol chebi_ontology 2-ethoxyethyl alcohol 2EE Cellosolve HOCH2CH2OC2H5 Oxitol beta-ethoxyethanol ethylene glycol ethyl ether ethylene glycol monoethyl ether CHEBI:46788 2-ethoxyethanol Beilstein:1098271 Beilstein CAS:110-80-5 ChemIDplus CAS:110-80-5 KEGG COMPOUND CAS:110-80-5 NIST Chemistry WebBook Gmelin:82142 Gmelin PMID:12209180 Europe PMC PMID:24399739 Europe PMC PMID:2625497 Europe PMC PMID:7151721 Europe PMC Reaxys:1098271 Reaxys 2-ETHOXYETHANOL PDBeChem 2-Ethoxyethanol KEGG_COMPOUND 2-ethoxyethanol IUPAC 2-ethoxyethyl alcohol ChemIDplus 2EE NIST_Chemistry_WebBook Cellosolve ChemIDplus HOCH2CH2OC2H5 NIST_Chemistry_WebBook Oxitol ChemIDplus beta-ethoxyethanol NIST_Chemistry_WebBook ethylene glycol ethyl ether ChemIDplus ethylene glycol monoethyl ether ChemIDplus Any ether carrying a hydroxy group at unspecified position. hydroxyether chebi_ontology CHEBI:46789 hydroxyether hydroxyether ChEBI A hydroxyether that is ethanol substituted by a methoxy group at position 2. 0 C3H8O2 InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 XNWFRZJHXBZDAG-UHFFFAOYSA-N 76.09442 76.05243 COCCO CHEBI:19677 CHEBI:44217 Beilstein:1731074 CAS:109-86-4 DrugBank:DB02806 Gmelin:81877 MetaCyc:2-METHOXYETHANOL PDBeChem:MXE PMID:11354470 PMID:24399739 PPDB:1639 Reaxys:1731074 Wikipedia:2-Methoxyethanol 2-METHOXYETHANOL 2-methoxyethanol chebi_ontology 1-hydroxy-2-methoxyethane 2-hydroxyethyl methyl ether 2-methoxy-1-ethanol 3-oxa-1-butanol HOCH2CH2OCH3 Methyl cellosolve beta-methoxyethanol methyl oxitol monomethyl ethylene glycol ether CHEBI:46790 2-methoxyethanol Beilstein:1731074 ChemIDplus CAS:109-86-4 ChemIDplus CAS:109-86-4 NIST Chemistry WebBook Gmelin:81877 Gmelin PMID:11354470 Europe PMC PMID:24399739 Europe PMC Reaxys:1731074 Reaxys 2-METHOXYETHANOL PDBeChem 2-methoxyethanol IUPAC 1-hydroxy-2-methoxyethane ChemIDplus 2-hydroxyethyl methyl ether NIST_Chemistry_WebBook 2-methoxy-1-ethanol ChemIDplus 3-oxa-1-butanol ChemIDplus HOCH2CH2OCH3 NIST_Chemistry_WebBook Methyl cellosolve ChemIDplus beta-methoxyethanol NIST_Chemistry_WebBook methyl oxitol ChemIDplus monomethyl ethylene glycol ether ChemIDplus 0 C2H4OS InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N 76.11856 75.99829 CC(O)=S Beilstein:1733298 Gmelin:1216872 ethanethioic O-acid chebi_ontology CHEBI:46800 ethanethioic O-acid Beilstein:1733298 Beilstein Gmelin:1216872 Gmelin ethanethioic O-acid IUPAC 0 C4H10O3 InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 MTHSVFCYNBDYFN-UHFFFAOYSA-N 106.12040 106.06299 OCCOCCO CHEBI:34700 CHEBI:44774 Beilstein:969209 CAS:111-46-6 Gmelin:2399 KEGG:C14689 PDBeChem:PEG 2,2'-oxydiethanol Diethylene glycol chebi_ontology 1,5-Dihydroxy-3-oxapentane 2,2'-Oxydiethanol 2,2'-dihydroxydiethyl ether 2,2'-oxybisethanol 2-(2-hydroxyethoxy)ethanol 2-hydroxyethyl ether DI(HYDROXYETHYL)ETHER Diethylenglykol beta,beta'-dihydroxydiethyl ether bis(2-hydroxyethyl) ether bis(beta-hydroxyethyl) ether CHEBI:46807 diethylene glycol Beilstein:969209 Beilstein CAS:111-46-6 ChemIDplus CAS:111-46-6 KEGG COMPOUND CAS:111-46-6 NIST Chemistry WebBook Gmelin:2399 Gmelin 2,2'-oxydiethanol IUPAC Diethylene glycol KEGG_COMPOUND 1,5-Dihydroxy-3-oxapentane KEGG_COMPOUND 2,2'-Oxydiethanol KEGG_COMPOUND 2,2'-dihydroxydiethyl ether ChemIDplus 2,2'-oxybisethanol ChemIDplus 2-(2-hydroxyethoxy)ethanol NIST_Chemistry_WebBook 2-hydroxyethyl ether NIST_Chemistry_WebBook DI(HYDROXYETHYL)ETHER PDBeChem Diethylenglykol NIST_Chemistry_WebBook beta,beta'-dihydroxydiethyl ether NIST_Chemistry_WebBook bis(2-hydroxyethyl) ether NIST_Chemistry_WebBook bis(beta-hydroxyethyl) ether NIST_Chemistry_WebBook chebi_ontology N-alkylpiperazines CHEBI:46845 N-alkylpiperazine N-alkylpiperazines ChEBI chebi_ontology N-arylpiperazines CHEBI:46848 N-arylpiperazine N-arylpiperazines ChEBI chebi_ontology organoammonium salts CHEBI:46850 organoammonium salt organoammonium salts ChEBI chebi_ontology N-(2-hydroxyethyl)piperazines CHEBI:46851 N-(2-hydroxyethyl)piperazine N-(2-hydroxyethyl)piperazines ChEBI chebi_ontology indolyl carboxylic acids CHEBI:46867 indolyl carboxylic acid indolyl carboxylic acids ChEBI 0 CHO2 45.01744 44.99765 *C(=O)O CHEBI:23025 CHEBI:41420 PDBeChem:FMT CARBOXY GROUP carboxy chebi_ontology -C(O)OH -CO2H -COOH carboxyl group CHEBI:46883 carboxy group CARBOXY GROUP PDBeChem carboxy IUPAC -C(O)OH IUPAC -CO2H ChEBI -COOH IUPAC carboxyl group ChEBI A compound consisting of a peptide with attached lipid. PMID:19889045 PMID:20545290 PMID:23131643 PMID:23318669 Wikipedia:Lipopeptide chebi_ontology LP lipopeptides CHEBI:46895 lipopeptide PMID:19889045 Europe PMC PMID:20545290 Europe PMC PMID:23131643 Europe PMC PMID:23318669 Europe PMC LP ChEBI lipopeptides ChEBI A dicarboxylic acid monoanion that is the conjugate base of oxalic acid. -1 C2HO4 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1 MUBZPKHOEPUJKR-UHFFFAOYSA-M 89.02694 88.98803 OC(=O)C([O-])=O Beilstein:3601755 Gmelin:49515 carboxyformate chebi_ontology Hox hydrogen ethanedioate hydrogen oxalate CHEBI:46904 oxalate(1-) Beilstein:3601755 Beilstein Gmelin:49515 Gmelin carboxyformate IUPAC Hox IUPAC hydrogen ethanedioate IUPAC hydrogen oxalate ChEBI A pantothenic acid having R-configuration. 0 C9H17NO5 InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N 219.23502 219.11067 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O CHEBI:18701 CHEBI:44679 Beilstein:1727064 CAS:79-83-4 DrugBank:DB01783 Drug_Central:2055 FooDB:FDB008322 HMDB:HMDB0000210 KEGG:C00864 KEGG:D07413 KNApSAcK:C00001550 MetaCyc:PANTOTHENATE PDBeChem:PAU PMID:12664639 PMID:13614445 PMID:14675432 PMID:15065769 PMID:15136582 PMID:15912738 PMID:16042590 PMID:17023940 PMID:17439666 PMID:17913047 PMID:18186650 PMID:19307712 PMID:19959891 PMID:20451532 PMID:21904030 PMID:22052867 PMID:22468352 PMID:23727638 PMID:27555321 PMID:32416962 PMID:32979277 PMID:5352084 Reaxys:1727064 Wikipedia:Pantothenic_Acid 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid chebi_ontology (+)-Pantothenic acid (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine D-(+)-pantothenic acid D-pantothenic acid N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine PANTOTHENOIC ACID Pantothenic acid chick antidermatitis factor vitamin B5 CHEBI:46905 (R)-pantothenic acid Beilstein:1727064 ChemIDplus CAS:79-83-4 ChemIDplus CAS:79-83-4 NIST Chemistry WebBook Drug_Central:2055 DrugCentral PMID:12664639 Europe PMC PMID:13614445 Europe PMC PMID:14675432 Europe PMC PMID:15065769 Europe PMC PMID:15136582 Europe PMC PMID:15912738 Europe PMC PMID:16042590 Europe PMC PMID:17023940 Europe PMC PMID:17439666 Europe PMC PMID:17913047 Europe PMC PMID:18186650 Europe PMC PMID:19307712 Europe PMC PMID:19959891 Europe PMC PMID:20451532 Europe PMC PMID:21904030 Europe PMC PMID:22052867 Europe PMC PMID:22468352 Europe PMC PMID:23727638 Europe PMC PMID:27555321 Europe PMC PMID:32416962 Europe PMC PMID:32979277 Europe PMC PMID:5352084 Europe PMC Reaxys:1727064 Reaxys 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid IUPAC (+)-Pantothenic acid HMDB (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine ChemIDplus D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine ChemIDplus D-(+)-pantothenic acid ChEBI D-pantothenic acid ChemIDplus N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine PDBeChem PANTOTHENOIC ACID PDBeChem Pantothenic acid KEGG_COMPOUND chick antidermatitis factor ChemIDplus vitamin B5 ChemIDplus 0 C4H6O2 InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3 XTXRWKRVRITETP-UHFFFAOYSA-N 86.08924 86.03678 CC(=O)OC=C Beilstein:1209327 Beilstein:4290704 CAS:108-05-4 KEGG:C19309 ethenyl acetate vinyl acetate chebi_ontology 1-acetoxyethylene Essigsaeurevinylester Vinylacetat Vinylazetat acetic acid ethenyl ester acetic acid vinyl ester acetoxyethene ethenyl ethanoate vinyl ethanoate CHEBI:46916 vinyl acetate Beilstein:1209327 Beilstein Beilstein:4290704 Beilstein CAS:108-05-4 ChemIDplus CAS:108-05-4 KEGG COMPOUND CAS:108-05-4 NIST Chemistry WebBook ethenyl acetate IUPAC vinyl acetate ChemIDplus 1-acetoxyethylene ChemIDplus Essigsaeurevinylester ChEBI Vinylacetat NIST_Chemistry_WebBook Vinylazetat ChEBI acetic acid ethenyl ester NIST_Chemistry_WebBook acetic acid vinyl ester NIST_Chemistry_WebBook acetoxyethene ChemIDplus ethenyl ethanoate NIST_Chemistry_WebBook vinyl ethanoate ChemIDplus chebi_ontology N-methylpiperazines CHEBI:46920 N-methylpiperazine N-methylpiperazines ChEBI dioxane chebi_ontology CHEBI:46926 dioxanes A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. chebi_ontology capsaicinoids CHEBI:46931 capsaicinoid capsaicinoids ChEBI 0 C18H29NO3 InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21) XJQPQKLURWNAAH-UHFFFAOYSA-N 307.42780 307.21474 COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O Beilstein:2815150 CAS:19408-84-5 KEGG:C16952 LINCS:LSM-37095 N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamide chebi_ontology 6,7-Dihydrocapsaicin 8-methyl-N-vanillylnonanamide CHEBI:46932 dihydrocapsaicin Beilstein:2815150 Beilstein CAS:19408-84-5 ChemIDplus CAS:19408-84-5 KEGG COMPOUND N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamide IUPAC 6,7-Dihydrocapsaicin ChemIDplus 8-methyl-N-vanillylnonanamide ChemIDplus chebi_ontology CHEBI:46940 indanes Any organic heteromonocyclic compoundthat is oxane or its substituted derivatives. chebi_ontology tetrahydropyrans CHEBI:46942 oxanes tetrahydropyrans ChEBI chebi_ontology oxazinanes CHEBI:46952 oxazinane oxazinanes ChEBI Compounds containing an anthracene skeleton. chebi_ontology CHEBI:46955 anthracenes chebi_ontology CHEBI:46986 azepanes A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in L-glyceraldehyde. 0 C5H10O5 150.130 150.05282 L-ribo-pentose L-ribose chebi_ontology L-Rib CHEBI:46997 L-ribose L-ribo-pentose IUPAC L-ribose IUPAC L-Rib JCBN A cyclic ribose having a 5-membered tetrahydrofuran ring; the predominant (C3'-endo) form of the two cyclic structures (the other is the "C2'-endo" form, having a 6-membered ring) adopted by ribose in aqueous solution. 0 C5H10O5 150.12990 150.05282 ribofuranose chebi_ontology rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol CHEBI:46998 ribofuranose ribofuranose IUPAC rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol IUPAC A ribofuranose having D-configuration. 0 C5H10O5 InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 HMFHBZSHGGEWLO-SOOFDHNKSA-N 150.12990 150.05282 OC[C@H]1OC(O)[C@H](O)[C@@H]1O CHEBI:4233 CHEBI:46999 Beilstein:1904878 CAS:50-69-1 CAS:613-83-2 GlyGen:G31080DL GlyTouCan:G31080DL Gmelin:364108 KEGG:C00121 PMID:9506998 Patent:US2152662 Reaxys:1904878 D-ribofuranose chebi_ontology (3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol D-Ribose D-ribose WURCS=2.0/1,1,0/[a222h-1x_1-4]/1/ ribose CHEBI:47013 D-ribofuranose Beilstein:1904878 Beilstein CAS:50-69-1 KEGG COMPOUND CAS:613-83-2 ChemIDplus Gmelin:364108 Gmelin PMID:9506998 Europe PMC Reaxys:1904878 Reaxys D-ribofuranose IUPAC (3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol IUPAC D-Ribose KEGG_COMPOUND D-ribose UniProt WURCS=2.0/1,1,0/[a222h-1x_1-4]/1/ GlyTouCan ribose ChemIDplus chebi_ontology tetrahydrofuranols CHEBI:47017 tetrahydrofuranol tetrahydrofuranols ChEBI chebi_ontology monohydroxytetrahydrofurans CHEBI:47018 monohydroxytetrahydrofuran monohydroxytetrahydrofurans ChEBI chebi_ontology dihydroxytetrahydrofurans CHEBI:47019 dihydroxytetrahydrofuran dihydroxytetrahydrofurans ChEBI 1,4-dioxane C10H17O8PR2(C5H8O5PR)n.C10H17O7PR2(C5H8O6PR)n KEGG:C00434 Double-stranded DNA chebi_ontology dsDNA CHEBI:4705 double-stranded DNA Double-stranded DNA KEGG_COMPOUND dsDNA UniProt A member of the class of bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae. 0 CH2Br2 InChI=1S/CH2Br2/c2-1-3/h1H2 FJBFPHVGVWTDIP-UHFFFAOYSA-N 173.83458 171.85233 [H]C([H])(Br)Br Beilstein:969143 CAS:74-95-3 Gmelin:25649 PDBeChem:2BM PMID:19941875 PMID:24622955 Reaxys:969143 Wikipedia:Dibromomethane DIBROMOMETHANE dibromomethane chebi_ontology CH2Br2 Dibrommethan Methylenbromid methylene bromide methylene dibromide CHEBI:47077 dibromomethane Beilstein:969143 Beilstein CAS:74-95-3 ChemIDplus CAS:74-95-3 NIST Chemistry WebBook Gmelin:25649 Gmelin PMID:19941875 Europe PMC PMID:24622955 Europe PMC Reaxys:969143 Reaxys DIBROMOMETHANE PDBeChem dibromomethane IUPAC CH2Br2 NIST_Chemistry_WebBook Dibrommethan ChEBI Methylenbromid ChEBI methylene bromide ChemIDplus methylene dibromide NIST_Chemistry_WebBook A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention. 0 C6HCl5 InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H CEOCDNVZRAIOQZ-UHFFFAOYSA-N 250.33564 247.85209 Clc1cc(Cl)c(Cl)c(Cl)c1Cl CHEBI:36698 CHEBI:47135 Beilstein:1911550 CAS:608-93-5 Gmelin:51144 KEGG:C18141 PDBeChem:5CL PMID:10696772 PMID:17935782 PMID:19298997 PMID:24365113 PMID:9806169 Reaxys:1911550 Wikipedia:Pentachlorobenzene 1,2,3,4,5-pentachlorobenzene pentachlorobenzene chebi_ontology 1,2,3,4,5-PENTACHLOROBENZENE 1,2,3,4,5-Pentachlorobenzene PCB Pentachlorbenzol QCB CHEBI:47136 pentachlorobenzene Beilstein:1911550 ChemIDplus CAS:608-93-5 ChemIDplus CAS:608-93-5 KEGG COMPOUND CAS:608-93-5 NIST Chemistry WebBook Gmelin:51144 Gmelin PMID:10696772 Europe PMC PMID:17935782 Europe PMC PMID:19298997 Europe PMC PMID:24365113 Europe PMC PMID:9806169 Europe PMC Reaxys:1911550 Reaxys 1,2,3,4,5-pentachlorobenzene IUPAC pentachlorobenzene ChemIDplus 1,2,3,4,5-PENTACHLOROBENZENE PDBeChem 1,2,3,4,5-Pentachlorobenzene KEGG_COMPOUND PCB KEGG_COMPOUND Pentachlorbenzol ChEBI QCB NIST_Chemistry_WebBook 0 AsH3 InChI=1S/AsH3/h1H3 RBFQJDQYXXHULB-UHFFFAOYSA-N 77.94542 77.94507 [H][As]([H])[H] CHEBI:22636 CHEBI:47215 CAS:7440-38-2 CAS:7784-42-1 Gmelin:599 KEGG:C06269 MolBase:1657 arsane trihydridoarsenic chebi_ontology Arsenwasserstoff As AsH3 [AsH3] arsenic trihydride arsenous hydride arsine CHEBI:47217 arsane CAS:7440-38-2 KEGG COMPOUND CAS:7784-42-1 ChemIDplus CAS:7784-42-1 NIST Chemistry WebBook Gmelin:599 Gmelin arsane IUPAC trihydridoarsenic IUPAC Arsenwasserstoff NIST_Chemistry_WebBook As KEGG_COMPOUND AsH3 IUPAC [AsH3] IUPAC arsenic trihydride NIST_Chemistry_WebBook arsenous hydride NIST_Chemistry_WebBook arsine NIST_Chemistry_WebBook A pyrimidine 2'-deoxyribonucleoside compound having 5-bromouracil as the nucleobase. 0 C9H11BrN2O5 InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 WOVKYSAHUYNSMH-RRKCRQDMSA-N 307.09800 305.98513 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O CHEBI:31310 CHEBI:47713 Beilstein:4236087 CAS:59-14-3 Drug_Central:3042 PDBeChem:U33 PMID:17325220 PMID:17341060 PMID:3950402 Wikipedia:Bromodeoxyuridine 5-bromo-2'-deoxyuridine chebi_ontology 5-Bdu 5-Bromodeoxyuridine 5-Bromodesoxyuridine 5-Bromouracil deoxyriboside 5-Bromouracil-2-deoxyriboside BrdU Bromodeoxyuridine Bromouracil deoxyriboside broxuridina broxuridine broxuridinum CHEBI:472552 5-bromo-2'-deoxyuridine Beilstein:4236087 Beilstein CAS:59-14-3 ChemIDplus Drug_Central:3042 DrugCentral PMID:17325220 ChEMBL PMID:17341060 ChEMBL PMID:3950402 Europe PMC 5-bromo-2'-deoxyuridine IUPAC 5-Bdu ChemIDplus 5-Bromodeoxyuridine ChemIDplus 5-Bromodesoxyuridine ChemIDplus 5-Bromouracil deoxyriboside ChemIDplus 5-Bromouracil-2-deoxyriboside ChemIDplus BrdU ChEBI Bromodeoxyuridine ChemIDplus Bromouracil deoxyriboside ChemIDplus broxuridina ChemIDplus broxuridine ChemIDplus broxuridinum ChemIDplus A diatomic molecule containing covalently bonded hydrogen and bromine atoms. 0 BrH HBr InChI=1S/BrH/h1H CPELXLSAUQHCOX-UHFFFAOYSA-N 80.91194 79.92616 Br[H] CHEBI:29134 CHEBI:31673 CAS:10035-10-6 Gmelin:620 KEGG:C13645 bromane bromidohydrogen hydrogen bromide chebi_ontology Bromwasserstoff HBr Hydrobromic acid Hydrogenbromid [HBr] bromure d'hydrogene CHEBI:47266 hydrogen bromide CAS:10035-10-6 ChemIDplus CAS:10035-10-6 KEGG COMPOUND CAS:10035-10-6 NIST Chemistry WebBook Gmelin:620 Gmelin bromane IUPAC bromidohydrogen IUPAC hydrogen bromide IUPAC hydrogen bromide NIST_Chemistry_WebBook Bromwasserstoff NIST_Chemistry_WebBook HBr KEGG_COMPOUND Hydrobromic acid KEGG_COMPOUND Hydrogenbromid ChEBI [HBr] IUPAC bromure d'hydrogene ChEBI An ethyl ester resulting from the formal condensation of the carboxy group of chlorimuron with ethanol. A proherbicide for chloimuron, it is used as herbicide for the control of broad-leaved weeds in peanuts, soya beans, and other crops. 0 C15H15ClN4O6S InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22) NSWAMPCUPHPTTC-UHFFFAOYSA-N 414.822 414.04008 C1=C(N=C(N=C1OC)NC(NS(C2=C(C=CC=C2)C(OCC)=O)(=O)=O)=O)Cl CHEBI:3617 AGR:IND500629567 AGR:IND500707520 CAS:90982-32-4 KEGG:C10943 PDBeChem:CIE PMID:20574870 PMID:21361029 PMID:21851837 PMID:22967225 PMID:23137550 PMID:23189702 PMID:23542325 PMID:23792929 PMID:24264144 PMID:24794985 PMID:25028319 PMID:25661176 PMID:25689050 PMID:26363318 PMID:26810662 PMID:28208114 PMID:29268112 PMID:29500939 PMID:29614448 PMID:29621247 PMID:29672047 PPDB:1145 Pesticides:derivatives/chlorimuron-ethyl Reaxys:7448363 ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate chebi_ontology Chlorimuron ethyl chlorimuron ethyl ester ethyl 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoate ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoate CHEBI:47319 chlorimuron-ethyl AGR:IND500629567 Europe PMC AGR:IND500707520 Europe PMC CAS:90982-32-4 Alan Wood's Pesticides CAS:90982-32-4 ChemIDplus CAS:90982-32-4 KEGG COMPOUND PMID:20574870 Europe PMC PMID:21361029 Europe PMC PMID:21851837 Europe PMC PMID:22967225 Europe PMC PMID:23137550 Europe PMC PMID:23189702 Europe PMC PMID:23542325 Europe PMC PMID:23792929 Europe PMC PMID:24264144 Europe PMC PMID:24794985 Europe PMC PMID:25028319 Europe PMC PMID:25661176 Europe PMC PMID:25689050 Europe PMC PMID:26363318 Europe PMC PMID:26810662 Europe PMC PMID:28208114 Europe PMC PMID:29268112 Europe PMC PMID:29500939 Europe PMC PMID:29614448 Europe PMC PMID:29621247 Europe PMC PMID:29672047 Europe PMC Pesticides:derivatives/chlorimuron-ethyl Alan Wood's Pesticides Reaxys:7448363 Reaxys ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate IUPAC Chlorimuron ethyl KEGG_COMPOUND chlorimuron ethyl ester ChemIDplus ethyl 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoate Alan_Wood's_Pesticides ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoate Alan_Wood's_Pesticides 0 C10H16N2O8 InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) KCXVZYZYPLLWCC-UHFFFAOYSA-N 292.244 292.09067 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O CHEBI:42189 CAS:60-00-4 Chemspider:5826 DrugBank:DB00974 Drug_Central:987 HMDB:HMDB0015109 KEGG:C00284 KEGG:D00052 KNApSAcK:C00062378 PDBeChem:EDT PMID:33351441 PMID:34135967 PMID:34152137 PMID:34277313 PMID:34370848 PMID:34481414 PMID:35006635 PMID:35305029 PMID:35343279 PMID:35859250 PMID:35936934 PMID:35964552 PMID:36187868 PMID:36200920 PMID:36229181 PMID:36265367 PMID:36297869 PMID:36314569 PMID:36348502 PMID:36540522 PMID:36566396 PMID:36597320 PPDB:1337 Reaxys:1716295 Wikipedia:Ethylenediaminetetraacetic_acid (ethane-1,2-diyldinitrilo)tetraacetic acid ethylenediaminetetraacetic acid chebi_ontology (ethylenedinitrilo)tetraacetic acid 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid 2-([2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino)acetic acid EDTA EDTA (chelating agent) H4edta N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine) N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine] acide edetique acido edetico acidum edeticum edathamil edetic acid ethylene-N,N'-biscarboxymethyl-N,N'-diglycine ethylenediamine-N,N,N',N'-tetraacetic acid ethylenedinitrilotetraacetic acid {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID CHEBI:4735 ethylenediaminetetraacetic acid CAS:60-00-4 ChemIDplus CAS:60-00-4 NIST Chemistry WebBook Drug_Central:987 DrugCentral PMID:33351441 Europe PMC PMID:34135967 Europe PMC PMID:34152137 Europe PMC PMID:34277313 Europe PMC PMID:34370848 Europe PMC PMID:34481414 Europe PMC PMID:35006635 Europe PMC PMID:35305029 Europe PMC PMID:35343279 Europe PMC PMID:35859250 Europe PMC PMID:35936934 Europe PMC PMID:35964552 Europe PMC PMID:36187868 Europe PMC PMID:36200920 Europe PMC PMID:36229181 Europe PMC PMID:36265367 Europe PMC PMID:36297869 Europe PMC PMID:36314569 Europe PMC PMID:36348502 Europe PMC PMID:36540522 Europe PMC PMID:36566396 Europe PMC PMID:36597320 Europe PMC Reaxys:1716295 Reaxys (ethane-1,2-diyldinitrilo)tetraacetic acid IUPAC ethylenediaminetetraacetic acid IUPAC (ethylenedinitrilo)tetraacetic acid ChEBI 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid ChEBI 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid PDBeChem 2-([2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino)acetic acid ChEBI EDTA KEGG_COMPOUND EDTA (chelating agent) ChEBI H4edta IUPAC N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine) NIST_Chemistry_WebBook N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine] ChEBI acide edetique WHO_MedNet acido edetico WHO_MedNet acidum edeticum WHO_MedNet edathamil ChEBI edetic acid WHO_MedNet ethylene-N,N'-biscarboxymethyl-N,N'-diglycine ChEBI ethylenediamine-N,N,N',N'-tetraacetic acid ChEBI ethylenedinitrilotetraacetic acid ChEBI {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID PDBeChem 0 C9H19NOS InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3 GUVLYNGULCJVDO-UHFFFAOYSA-N 189.320 189.11874 CCCN(CCC)C(=O)SCC CAS:759-94-4 KEGG:C11081 PPDB:268 EPTC chebi_ontology S-Ethyl dipropylthiocarbamate CHEBI:4738 EPTC CAS:759-94-4 KEGG COMPOUND EPTC KEGG_COMPOUND S-Ethyl dipropylthiocarbamate KEGG_COMPOUND A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. 0 C14H11Cl2NO2 InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) DCOPUUMXTXDBNB-UHFFFAOYSA-N 296.150 295.01668 C1(Cl)=CC=CC(=C1NC2=CC=CC=C2CC(=O)O)Cl CHEBI:4507 CHEBI:47380 Beilstein:2146636 CAS:15307-86-5 DrugBank:DB00586 Drug_Central:865 HMDB:HMDB0014724 KEGG:C01690 KEGG:D07816 LINCS:LSM-2160 PDBeChem:DIF PMID:11322639 PMID:1502708 PMID:23777257 PMID:27967303 PMID:7838674 Patent:NL6604752 Patent:US3558690 Reaxys:2146636 VSDB:1933 Wikipedia:Diclofenac 2-[(2,6-dichlorophenyl)amino]benzeneacetic acid Diclofenac {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid chebi_ontology 2-((2,6-dichlorophenyl)amino)benzeneacetic acid [2-(2,6-dichloroanilino)phenyl]acetic acid diclofenac diclofenac acid diclofenaco diclofenacum diclofenamic acid CHEBI:47381 diclofenac Beilstein:2146636 Beilstein CAS:15307-86-5 ChemIDplus CAS:15307-86-5 KEGG COMPOUND CAS:15307-86-5 NIST Chemistry WebBook Drug_Central:865 DrugCentral PMID:11322639 Europe PMC PMID:1502708 Europe PMC PMID:23777257 Europe PMC PMID:27967303 Europe PMC PMID:7838674 Europe PMC Reaxys:2146636 Reaxys 2-[(2,6-dichlorophenyl)amino]benzeneacetic acid IUPAC Diclofenac KEGG_COMPOUND {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid IUPAC 2-((2,6-dichlorophenyl)amino)benzeneacetic acid ChemIDplus [2-(2,6-dichloroanilino)phenyl]acetic acid NIST_Chemistry_WebBook diclofenac ChemIDplus diclofenac acid ChemIDplus diclofenaco ChemIDplus diclofenacum ChemIDplus diclofenamic acid DrugCentral A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. 0 C12H11ClN2O5S InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) ZZUFCTLCJUWOSV-UHFFFAOYSA-N 330.74400 330.00772 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl CHEBI:47425 CHEBI:5198 CAS:54-31-9 DrugBank:DB00695 Drug_Central:1258 HMDB:HMDB0001933 KEGG:D00331 LINCS:LSM-5847 PMID:15286542 PMID:18701232 Reaxys:1399731 VSDB:1770 Wikipedia:Furosemide 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid Furosemide chebi_ontology 2-Furfurylamino-4-chloro-5-sulfamoylbenzoic acid 4-Chloro-5-sulfamoyl-N-furfuryl-anthranilic acid 4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilic acid 4-Chloro-N-furfuryl-5-sulfamoylanthranilic acid Frusemide Lasix (TN) CHEBI:47426 furosemide CAS:54-31-9 ChemIDplus CAS:54-31-9 KEGG DRUG Drug_Central:1258 DrugCentral PMID:15286542 Europe PMC PMID:18701232 Europe PMC Reaxys:1399731 Reaxys 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid IUPAC Furosemide KEGG_DRUG 2-Furfurylamino-4-chloro-5-sulfamoylbenzoic acid ChemIDplus 4-Chloro-5-sulfamoyl-N-furfuryl-anthranilic acid ChemIDplus 4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilic acid ChemIDplus 4-Chloro-N-furfuryl-5-sulfamoylanthranilic acid ChemIDplus Frusemide KEGG_DRUG Lasix (TN) KEGG_DRUG A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid. 0 C4H2O3 InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H FPYJFEHAWHCUMM-UHFFFAOYSA-N 98.05690 98.00039 O=C1OC(=O)C=C1 Beilstein:106909 CAS:108-31-6 Gmelin:2728 PMID:1789402 PMID:24315947 PMID:26073302 PMID:26328347 PMID:26639665 PMID:26961914 PMID:3711550 Reaxys:106909 Wikipedia:Maleic_anhydride furan-2,5-dione chebi_ontology 2,5-Furandione Dihydro-2,5-dioxofuran MA Maleic acid anhydride Toxilic anhydride cis-Butenedioic anhydride CHEBI:474859 maleic anhydride Beilstein:106909 Beilstein CAS:108-31-6 ChemIDplus CAS:108-31-6 NIST Chemistry WebBook Gmelin:2728 Gmelin PMID:1789402 Europe PMC PMID:24315947 Europe PMC PMID:26073302 Europe PMC PMID:26328347 Europe PMC PMID:26639665 Europe PMC PMID:26961914 Europe PMC PMID:3711550 Europe PMC Reaxys:106909 Reaxys furan-2,5-dione IUPAC 2,5-Furandione ChemIDplus Dihydro-2,5-dioxofuran ChemIDplus MA ChEBI Maleic acid anhydride ChemIDplus Toxilic anhydride ChemIDplus cis-Butenedioic anhydride NIST_Chemistry_WebBook A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. 0 C19H24N2 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N 280.40734 280.19395 CN(C)CCCN1c2ccccc2CCc2ccccc12 CHEBI:47498 CHEBI:5881 Beilstein:256892 CAS:50-49-7 DrugBank:DB00458 Drug_Central:1427 Gmelin:1572523 HMDB:HMDB0001848 KEGG:C07049 KEGG:D08070 LINCS:LSM-2852 PDBeChem:IXX PMID:20825390 Patent:US2554736 Reaxys:256892 Wikipedia:Imipramine 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Imipramine chebi_ontology 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine Antideprin Imipramin Irmin Melipramine N-(gamma-dimethylaminopropyl)iminodibenzyl imipramine imipraminum imizine CHEBI:47499 imipramine Beilstein:256892 Beilstein CAS:50-49-7 ChemIDplus CAS:50-49-7 KEGG COMPOUND CAS:50-49-7 NIST Chemistry WebBook Drug_Central:1427 DrugCentral Gmelin:1572523 Gmelin PMID:20825390 Europe PMC Reaxys:256892 Reaxys 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine IUPAC Imipramine KEGG_COMPOUND 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine NIST_Chemistry_WebBook 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE PDBeChem 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine NIST_Chemistry_WebBook Antideprin DrugBank Imipramin ChEBI Irmin ChemIDplus Melipramine ChemIDplus N-(gamma-dimethylaminopropyl)iminodibenzyl NIST_Chemistry_WebBook imipramine ChemIDplus imipraminum ChemIDplus imizine NIST_Chemistry_WebBook 0 C2H4Cl 63.50586 63.00015 C(Cl)C* 2-chloroethyl chebi_ontology CHLOROETHYL GROUP CHEBI:47553 2-chloroethyl group 2-chloroethyl IUPAC CHLOROETHYL GROUP PDBeChem The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead. 0 C2H5Cl InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 HRYZWHHZPQKTII-UHFFFAOYSA-N 64.51380 64.00798 CCCl CHEBI:36019 Beilstein:1730751 CAS:75-00-3 Drug_Central:3196 Gmelin:100545 KEGG:C18248 KEGG:D04088 PMID:19078818 PMID:19769833 PMID:19958731 PMID:21099198 PMID:21137521 PMID:8210013 Patent:CN101844962 Patent:US2396639 Reaxys:1730751 Wikipedia:Chloroethane chloroethane chebi_ontology 1-chloroethane Aethylchlorid C2H5Cl Chloraethan EtCl Ethyl chloride Muriatic ether aethylii chloridum chlorethyl ethyl chloride mono-chloroethane monochlorethane monochloroethane CHEBI:47554 chloroethane Beilstein:1730751 Beilstein CAS:75-00-3 ChemIDplus CAS:75-00-3 KEGG COMPOUND CAS:75-00-3 NIST Chemistry WebBook Drug_Central:3196 DrugCentral Gmelin:100545 Gmelin PMID:19078818 Europe PMC PMID:19769833 Europe PMC PMID:19958731 Europe PMC PMID:21099198 Europe PMC PMID:21137521 Europe PMC PMID:8210013 Europe PMC Reaxys:1730751 Reaxys chloroethane IUPAC chloroethane UniProt 1-chloroethane NIST_Chemistry_WebBook Aethylchlorid ChEBI C2H5Cl IUPAC Chloraethan ChEBI EtCl IUPAC Ethyl chloride KEGG_COMPOUND Muriatic ether ChemIDplus aethylii chloridum ChEBI chlorethyl ChemIDplus ethyl chloride NIST_Chemistry_WebBook mono-chloroethane ChEBI monochlorethane NIST_Chemistry_WebBook monochloroethane ChemIDplus 0 C19H25ClN6O InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 PMXCMJLOPOFPBT-HNNXBMFYSA-N 388.89434 388.17784 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 CHEBI:38935 CHEBI:47599 Beilstein:8645511 CAS:212844-53-6 DrugBank:DB04751 LINCS:LSM-3118 (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol chebi_ontology 2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine Purv CHEBI:47600 purvalanol A Beilstein:8645511 Beilstein CAS:212844-53-6 ChemIDplus (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol IUPAC 2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine ChemIDplus Purv ChemIDplus A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 4-chlorobenzoic acid with the amino group of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid. Benafibrate is used for the treatment of hyperlipidaemia. 0 C19H20ClNO4 InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) IIBYAHWJQTYFKB-UHFFFAOYSA-N 361.820 361.10809 CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O CHEBI:31284 CHEBI:47611 CAS:41859-67-0 Chemspider:35728 DrugBank:DB01393 Drug_Central:362 HMDB:HMDB0015465 KEGG:D01366 LINCS:LSM-3015 PDBeChem:PEM PMID:12122004 PMID:12782154 PMID:17379010 PMID:18787029 PMID:19131462 PMID:23603800 PMID:28931607 PMID:32107855 PMID:32509533 PMID:32721217 PMID:32798077 PMID:32976735 PMID:33205029 PMID:33549744 PMID:34447954 Patent:DE2149070 Patent:US3781328 Reaxys:4267656 Wikipedia:Bezafibrate 2-{4-[2-(4-chlorobenzamido)ethyl]phenoxy}-2-methylpropanoic acid chebi_ontology 2-(p-(2-(p-Chlorobenzamido)ethyl)phenoxy)-2-methylpropionic acid Befizal Bezalip Bezatol SR (TN) Cedur bezafibrate bezafibrato bezafibratum CHEBI:47612 bezafibrate CAS:41859-67-0 ChemIDplus CAS:41859-67-0 KEGG DRUG Drug_Central:362 DrugCentral PMID:12122004 Europe PMC PMID:12782154 Europe PMC PMID:17379010 Europe PMC PMID:18787029 Europe PMC PMID:19131462 Europe PMC PMID:23603800 Europe PMC PMID:28931607 Europe PMC PMID:32107855 Europe PMC PMID:32509533 Europe PMC PMID:32721217 Europe PMC PMID:32798077 Europe PMC PMID:32976735 Europe PMC PMID:33205029 Europe PMC PMID:33549744 Europe PMC PMID:34447954 Europe PMC Reaxys:4267656 Reaxys 2-{4-[2-(4-chlorobenzamido)ethyl]phenoxy}-2-methylpropanoic acid IUPAC 2-(p-(2-(p-Chlorobenzamido)ethyl)phenoxy)-2-methylpropionic acid ChemIDplus Befizal DrugBank Bezalip DrugBank Bezatol SR (TN) KEGG_DRUG Cedur ChEBI bezafibrate ChemIDplus bezafibrato DrugBank bezafibratum DrugBank Any carboxylic ester where the carboxylic acid component is acetic acid. 0 C2H3O2R 59.04400 59.01330 CC(=O)O[*] CHEBI:13244 CHEBI:13799 CHEBI:22189 CHEBI:2406 KEGG:C01883 Wikipedia:Acetate#Esters chebi_ontology Acetic ester Acetyl ester acetate acetate esters acetates acetyl esters an acetyl ester CHEBI:47622 acetate ester Acetic ester KEGG_COMPOUND Acetyl ester KEGG_COMPOUND acetate ChEBI acetate esters ChEBI acetates ChEBI acetyl esters ChEBI an acetyl ester UniProt A bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines. It is commonly used as a fungicide and in the preparation of flame retardants. 0 C6H3Br3O InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H BSWWXRFVMJHFBN-UHFFFAOYSA-N 330.798 327.77340 C=1(C(=C(C=C(C1)Br)Br)O)Br CHEBI:34234 CAS:118-79-6 DrugBank:DB02417 HMDB:HMDB0029642 KEGG:C14454 PDBeChem:TBP PMID:16134480 PMID:18460800 PMID:19701836 PMID:19931292 PMID:24263137 Reaxys:776920 Wikipedia:2,4,6-tribromophenol chebi_ontology 2,4,6-TBP Bromol Tribromophenol Xeroform CHEBI:47696 2,4,6-tribromophenol CAS:118-79-6 ChemIDplus CAS:118-79-6 KEGG COMPOUND CAS:118-79-6 NIST Chemistry WebBook PMID:16134480 Europe PMC PMID:18460800 Europe PMC PMID:19701836 Europe PMC PMID:19931292 Europe PMC PMID:24263137 Europe PMC Reaxys:776920 Reaxys 2,4,6-TBP ChEBI Bromol ChemIDplus Tribromophenol ChemIDplus Xeroform ChemIDplus ammonium salt chebi_ontology Ammoniumsalz Ammoniumsalze ammonium salts CHEBI:47704 ammonium salt ammonium salt ChEBI Ammoniumsalz ChEBI Ammoniumsalze ChEBI ammonium salts ChEBI Cholesterol esters and free cholesterol which are contained in or bound to low-density lipoproteins (LDL). chebi_ontology LDL cholesterol LDL-C beta-lipoprotein cholesterol CHEBI:47774 low-density lipoprotein cholesterol LDL cholesterol ChEBI LDL-C ChEBI beta-lipoprotein cholesterol ChEBI Cholesterol esters and free cholesterol which are contained in or bound to high-density lipoproteins (HDL). chebi_ontology HDL cholesterol HDL-C alpha-lipoprotein cholesterol CHEBI:47775 high-density lipoprotein cholesterol HDL cholesterol ChEBI HDL-C ChEBI alpha-lipoprotein cholesterol ChEBI Any ester resulting from the condensation of one or more of the hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids. CHEBI:13730 CHEBI:22230 glyceride glycerides chebi_ontology acylglycerols glycerides CHEBI:47778 glyceride glyceride ChEBI glycerides IUPAC acylglycerols ChEBI glycerides ChEBI chebi_ontology aminoglycosides CHEBI:47779 aminoglycoside aminoglycosides ChEBI A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. 0 C18H22N2 InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 HCYAFALTSJYZDH-UHFFFAOYSA-N 266.38076 266.17830 CNCCCN1c2ccccc2CCc2ccccc12 CHEBI:4448 CHEBI:47393 Beilstein:1432747 CAS:50-47-5 DrugBank:DB01151 Drug_Central:812 HMDB:HMDB0015282 KEGG:C06943 KEGG:D07791 LINCS:LSM-3351 PDBeChem:DSM PMID:11041270 PMID:11287497 PMID:19328214 PMID:20825390 PMID:24399719 Reaxys:1432747 Wikipedia:Desipramine 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine Desipramine chebi_ontology 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE 5-(gamma-methylaminopropyl)iminodibenzyl DMI Desipramin N-(3-methylaminopropyl)iminobibenzyl demethylimipramine desipramina desipramine desipraminum desmethylimipramine monodemethylimipramine norimipramine CHEBI:47781 desipramine Beilstein:1432747 ChemIDplus CAS:50-47-5 ChemIDplus CAS:50-47-5 KEGG COMPOUND CAS:50-47-5 NIST Chemistry WebBook Drug_Central:812 DrugCentral PMID:11041270 Europe PMC PMID:11287497 Europe PMC PMID:19328214 Europe PMC PMID:20825390 Europe PMC PMID:24399719 Europe PMC Reaxys:1432747 Reaxys 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine IUPAC Desipramine KEGG_COMPOUND 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE PDBeChem 5-(gamma-methylaminopropyl)iminodibenzyl ChemIDplus DMI ChemIDplus Desipramin ChemIDplus N-(3-methylaminopropyl)iminobibenzyl ChemIDplus demethylimipramine ChemIDplus desipramina ChEBI desipramine ChEBI desipraminum ChEBI desmethylimipramine NIST_Chemistry_WebBook monodemethylimipramine ChemIDplus norimipramine NIST_Chemistry_WebBook chebi_ontology cyclopentafurans CHEBI:47783 cyclopentafuran cyclopentafurans ChEBI Any oxo steroid that has an oxo substituent at position 11. 0 C19H29OR 273.434 273.22184 C12(CCCCC1CCC3C2C(CC4(C3CCC4*)C)=O)C CHEBI:13773 CHEBI:19127 CHEBI:725 KEGG:C01985 chebi_ontology 11-Oxosteroid 11-oxo steroids 11-oxosteroids an 11-oxosteroid CHEBI:47787 11-oxo steroid 11-Oxosteroid KEGG_COMPOUND 11-oxo steroids ChEBI 11-oxosteroids ChEBI an 11-oxosteroid UniProt Any oxo steroid where an oxo substituent is located at position 3. 0 C19H29OR 273.434 273.22184 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)=O)C CHEBI:13607 CHEBI:1653 CHEBI:20182 CHEBI:71186 KEGG:C01876 MetaCyc:3-Oxosteroids PMID:9811880 chebi_ontology 3-Oxosteroid 3-oxo steroids 3-oxosteroids a 3-oxosteroid CHEBI:47788 3-oxo steroid PMID:9811880 SUBMITTER 3-Oxosteroid KEGG_COMPOUND 3-oxo steroids ChEBI 3-oxosteroids ChEBI a 3-oxosteroid UniProt A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings. 0 C14H11N InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H LCGTWRLJTMHIQZ-UHFFFAOYSA-N 193.249 193.08915 N1C2=C(C=CC=C2)C=CC2=C1C=CC=C2 Beilstein:1343358 CAS:256-96-2 Chemspider:8857 PDBeChem:ONB PMID:11767950 PMID:12052500 PMID:12061877 PMID:15837018 PMID:16203183 PMID:17236778 PMID:18779941 PMID:19486265 PMID:19774656 PMID:20922935 PMID:21087114 PMID:21441615 PMID:22322005 PMID:22751668 PMID:2322636 PMID:24358274 PMID:27175105 PMID:27389944 PMID:27807790 PMID:30660838 PMID:30754023 PMID:30823329 PMID:31718245 PMID:33381027 PMID:33842007 PMID:3680120 PMID:4146691 PMID:5982986 PMID:7587936 PMID:8385460 PMID:870507 Reaxys:1343358 Wikipedia:Dibenzazepine 5H-dibenzo[b,f]azepine chebi_ontology 2,2'-iminostilbene 2,3,6,7-dibenzazepine 5H-Dibenz[b,f]azepin 5H-dibenz[b,f]azepine 5H-dibenzazepine dibenz(b,f)azepine dibenzazepine iminostilbene o,o'-iminostilbene CHEBI:47802 5H-dibenzo[b,f]azepine Beilstein:1343358 Beilstein CAS:256-96-2 ChemIDplus CAS:256-96-2 NIST Chemistry WebBook PMID:11767950 Europe PMC PMID:12052500 Europe PMC PMID:12061877 Europe PMC PMID:15837018 Europe PMC PMID:16203183 Europe PMC PMID:17236778 Europe PMC PMID:18779941 Europe PMC PMID:19486265 Europe PMC PMID:19774656 Europe PMC PMID:20922935 Europe PMC PMID:21087114 Europe PMC PMID:21441615 Europe PMC PMID:22322005 Europe PMC PMID:22751668 Europe PMC PMID:2322636 Europe PMC PMID:24358274 Europe PMC PMID:27175105 Europe PMC PMID:27389944 Europe PMC PMID:27807790 Europe PMC PMID:30660838 Europe PMC PMID:30754023 Europe PMC PMID:30823329 Europe PMC PMID:31718245 Europe PMC PMID:33381027 Europe PMC PMID:33842007 Europe PMC PMID:3680120 Europe PMC PMID:4146691 Europe PMC PMID:5982986 Europe PMC PMID:7587936 Europe PMC PMID:8385460 Europe PMC PMID:870507 Europe PMC Reaxys:1343358 Reaxys 5H-dibenzo[b,f]azepine IUPAC 2,2'-iminostilbene ChemIDplus 2,3,6,7-dibenzazepine NIST_Chemistry_WebBook 5H-Dibenz[b,f]azepin NIST_Chemistry_WebBook 5H-dibenz[b,f]azepine NIST_Chemistry_WebBook 5H-dibenzazepine ChEBI dibenz(b,f)azepine NIST_Chemistry_WebBook dibenzazepine ChEBI iminostilbene ChemIDplus o,o'-iminostilbene NIST_Chemistry_WebBook dibenzoazepine chebi_ontology dibenzazepine dibenzoazepines CHEBI:47804 dibenzoazepine dibenzoazepine ChEBI dibenzazepine ChEBI dibenzoazepines ChEBI 0 C13H18O2 InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1 HEFNNWSXXWATRW-SNVBAGLBSA-N 206.28082 206.13068 CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O Beilstein:3590021 Beilstein:3590023 CAS:51146-57-7 (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid chebi_ontology (-)-ibuprofen (2R)-2-(4-isobutylphenyl)propanoic acid (R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid CHEBI:47835 levibuprofen Beilstein:3590021 Beilstein Beilstein:3590023 Beilstein CAS:51146-57-7 ChemIDplus (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC (-)-ibuprofen ChemIDplus (2R)-2-(4-isobutylphenyl)propanoic acid ChEBI (R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid ChemIDplus A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. 0 C10H18O InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3 NEHNMFOYXAPHSD-UHFFFAOYSA-N 154.24932 154.13577 [H]C(=O)CC(C)CCC=C(C)C Beilstein:1209447 Beilstein:1720789 CAS:106-23-0 Gmelin:1521962 KEGG:C17384 PMID:10771133 PMID:22382815 PMID:22559719 PMID:22972327 PMID:23047114 PMID:23064632 PMID:23065287 PMID:23071142 PMID:9540973 Wikipedia:Citronellal 3,7-dimethyloct-6-enal chebi_ontology 2,3-dihydrocitral 3,7-dimethyl-6-octen-1-al 3,7-dimethyl-6-octenal beta-citronellal CHEBI:47856 citronellal Beilstein:1209447 Beilstein Beilstein:1720789 Beilstein CAS:106-23-0 ChemIDplus CAS:106-23-0 KEGG COMPOUND CAS:106-23-0 NIST Chemistry WebBook Gmelin:1521962 Gmelin PMID:10771133 Europe PMC PMID:22382815 Europe PMC PMID:22559719 Europe PMC PMID:22972327 Europe PMC PMID:23047114 Europe PMC PMID:23064632 Europe PMC PMID:23065287 Europe PMC PMID:23071142 Europe PMC PMID:9540973 Europe PMC 3,7-dimethyloct-6-enal IUPAC 2,3-dihydrocitral NIST_Chemistry_WebBook 3,7-dimethyl-6-octen-1-al ChemIDplus 3,7-dimethyl-6-octenal ChemIDplus beta-citronellal NIST_Chemistry_WebBook CHEBI:27220 CHEBI:36947 chebi_ontology urea derivatives CHEBI:47857 ureas urea derivatives ChEBI Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc. chebi_ontology Indikator CHEBI:47867 indicator Indikator ChEBI A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells. chebi_ontology photosensitising agent CHEBI:47868 photosensitizing agent photosensitising agent ChEBI -2 C2H2O2S InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)/p-2 CWERGRDVMFNCDR-UHFFFAOYSA-L 90.10208 89.97865 [O-]C(=O)C[S-] Beilstein:3903781 CAS:16561-17-4 Gmelin:324389 sulfidoacetate chebi_ontology mercaptoacetic acid, ion(2-) CHEBI:47869 thioglycolate(2-) Beilstein:3903781 Beilstein CAS:16561-17-4 ChemIDplus Gmelin:324389 Gmelin sulfidoacetate IUPAC mercaptoacetic acid, ion(2-) ChemIDplus A one-carbon compound substituted by 4 bromo groups. 0 CBr4 InChI=1S/CBr4/c2-1(3,4)5 HJUGFYREWKUQJT-UHFFFAOYSA-N 331.62670 327.67335 BrC(Br)(Br)Br Beilstein:1732799 CAS:558-13-4 Gmelin:26450 PMID:24062826 PMID:24180643 PMID:24336817 Reaxys:1732799 Wikipedia:Tetrabromomethane tetrabromomethane chebi_ontology CBr4 Kohlenstofftetrabromid Tetrabromkohlenstoff Tetrabrommethan carbon bromide carbon tetrabromide methane tetrabromide tetrabromidocarbon CHEBI:47875 tetrabromomethane Beilstein:1732799 ChemIDplus CAS:558-13-4 ChemIDplus CAS:558-13-4 NIST Chemistry WebBook Gmelin:26450 Gmelin PMID:24062826 Europe PMC PMID:24180643 Europe PMC PMID:24336817 Europe PMC Reaxys:1732799 Reaxys tetrabromomethane IUPAC CBr4 IUPAC Kohlenstofftetrabromid ChEBI Tetrabromkohlenstoff ChEBI Tetrabrommethan ChEBI carbon bromide NIST_Chemistry_WebBook carbon tetrabromide ChemIDplus methane tetrabromide NIST_Chemistry_WebBook tetrabromidocarbon IUPAC CHEBI:26762 KEGG:C15506 chebi_ontology steroid esters CHEBI:47880 steroid ester steroid esters ChEBI 0 C3H2O3R2 86.046 86.00039 CHEBI:13600 CHEBI:1619 CHEBI:35949 KEGG:C01656 chebi_ontology 3-Keto acid 3-Oxo acid 3-oxo monocarboxylic acids 3-oxomonocarboxylic acid 3-oxomonocarboxylic acids CHEBI:47881 3-oxo monocarboxylic acid 3-Keto acid KEGG_COMPOUND 3-Oxo acid KEGG_COMPOUND 3-oxo monocarboxylic acids ChEBI 3-oxomonocarboxylic acid ChEBI 3-oxomonocarboxylic acids ChEBI macrocyclic polypyrroles chebi_ontology cyclic polypyrroles polypyrrole macrocycles CHEBI:47882 cyclic polypyrrole macrocyclic polypyrroles IUPAC cyclic polypyrroles ChEBI polypyrrole macrocycles ChEBI Any steroid substituted by at least one carboxy group. chebi_ontology steroid acids CHEBI:47891 steroid acid steroid acids ChEBI An anthracycline that is the 4'-epi-isomer of doxorubicin. 0 C27H29NO11 InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1 AOJJSUZBOXZQNB-VTZDEGQISA-N 543.51930 543.17406 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Beilstein:1445812 CAS:56420-45-2 DrugBank:DB00445 Drug_Central:1030 KEGG:C11230 KEGG:D07901 LINCS:LSM-2078 PDBeChem:DM6 PMID:11432615 PMID:15821120 PMID:16005104 PMID:17604344 PMID:18838875 Patent:DE2510866 Patent:US4058519 Reaxys:1445812 (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside chebi_ontology 4'-Epiadriamycin Epiadriamycin epirubicin epirubicina epirubicine epirubicinum pidorubicina pidorubicine pidorubicinum CHEBI:47898 4'-epidoxorubicin Beilstein:1445812 Beilstein CAS:56420-45-2 ChemIDplus CAS:56420-45-2 KEGG COMPOUND Drug_Central:1030 DrugCentral PMID:11432615 Europe PMC PMID:15821120 Europe PMC PMID:16005104 Europe PMC PMID:17604344 Europe PMC PMID:18838875 Europe PMC Reaxys:1445812 Reaxys (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside IUPAC 4'-Epiadriamycin ChemIDplus Epiadriamycin ChemIDplus epirubicin ChemIDplus epirubicina ChemIDplus epirubicine ChemIDplus epirubicinum ChemIDplus pidorubicina ChemIDplus pidorubicine ChemIDplus pidorubicinum ChemIDplus Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group. CHEBI:13809 CHEBI:33553 chebi_ontology alkanesulfonic acids alkylsulfonic acids CHEBI:47901 alkanesulfonic acid alkanesulfonic acids ChEBI alkylsulfonic acids ChEBI An alkanethiol is a compound in which a sulfanyl group, -SH, is attached to an alkyl group. 0 HSR 33.074 32.97990 *S CHEBI:13812 CHEBI:22328 CHEBI:2585 KEGG:C00812 chebi_ontology Alkyl thiol alkanethiols alkyl thiols an alkyl thiol CHEBI:47908 alkanethiol Alkyl thiol KEGG_COMPOUND alkanethiols ChEBI alkyl thiols ChEBI an alkyl thiol UniProt A 3-oxo steroid conjugated to a C=C double bond at the alpha,beta position. 0 C19H27OR 271.418 271.20619 C12C(C3C(C(CC3)*)(C)CC1)CCC=4C2(CCC(C4)=O)C CHEBI:13604 CHEBI:1626 CHEBI:20157 KEGG:C00619 MetaCyc:3-Oxo-Delta-4-Steroids chebi_ontology 3-Oxo-delta4-steroid 3-oxo Delta(4)-steroid 3-oxo Delta(4)-steroids 3-oxo-Delta(4) steroids a 3-oxo-Delta(4)-steroid CHEBI:47909 3-oxo-Delta(4) steroid 3-Oxo-delta4-steroid KEGG_COMPOUND 3-oxo Delta(4)-steroid ChEBI 3-oxo Delta(4)-steroids ChEBI 3-oxo-Delta(4) steroids ChEBI a 3-oxo-Delta(4)-steroid UniProt A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10. 0 C9H6Cl6O3S InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2 RDYMFSUJUZBWLH-UHFFFAOYSA-N 406.92434 403.81688 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Beilstein:1262315 CAS:115-29-7 KEGG:C11090 PPDB:264 Patent:CN102601109 Patent:CN103074276 Patent:ZW5287 Reaxys:1262315 Wikipedia:Endosulfan 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide Endosulfan chebi_ontology 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite 1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide Benzoepin alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite CHEBI:4791 endosulfan Beilstein:1262315 Beilstein CAS:115-29-7 ChemIDplus CAS:115-29-7 KEGG COMPOUND CAS:115-29-7 NIST Chemistry WebBook Reaxys:1262315 Reaxys 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide IUPAC Endosulfan KEGG_COMPOUND 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite ChemIDplus 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite ChemIDplus 1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide IUPAC Benzoepin KEGG_COMPOUND alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite ChemIDplus 0 C3H6NO2SR 120.15000 120.01192 N[C@@H](CS[*])C(O)=O CHEBI:13794 CHEBI:8969 KEGG:C05726 S-Substituted L-cysteine chebi_ontology R-S-Cysteine S-substituted L-cysteines CHEBI:47910 S-substituted L-cysteine S-Substituted L-cysteine KEGG_COMPOUND R-S-Cysteine KEGG_COMPOUND S-substituted L-cysteines ChEBI Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. CHEBI:13638 CHEBI:24044 CHEBI:5077 KEGG:C01579 Wikipedia:Flavonoid Flavonoid chebi_ontology 2-aryl-1-benzopyran 2-aryl-1-benzopyrans flavonoids CHEBI:47916 flavonoid An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups. 0 C3H2ClF5O InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H JPGQOUSTVILISH-UHFFFAOYSA-N 184.49210 183.97143 FC(F)OC(F)(F)C(F)Cl Beilstein:1903921 CAS:13838-16-9 DrugBank:DB00228 Drug_Central:1009 HMDB:HMDB0014373 KEGG:C07516 KEGG:D00543 PMID:23934553 PMID:25386744 PMID:7457058 Patent:AU2014277860 Patent:US5783199 Reaxys:1903921 Wikipedia:Enflurane 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane Enflurane chebi_ontology 2-chloro-1,1,2-trifluoroethyl difluoromethyl ether Alyrane Efrane Ethrane Methylflurether CHEBI:4792 enflurane Beilstein:1903921 Beilstein CAS:13838-16-9 ChemIDplus CAS:13838-16-9 KEGG COMPOUND CAS:13838-16-9 NIST Chemistry WebBook Drug_Central:1009 DrugCentral PMID:23934553 Europe PMC PMID:25386744 Europe PMC PMID:7457058 Europe PMC Reaxys:1903921 Reaxys 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane IUPAC Enflurane KEGG_COMPOUND 2-chloro-1,1,2-trifluoroethyl difluoromethyl ether ChEBI Alyrane NIST_Chemistry_WebBook Efrane ChemIDplus Ethrane ChemIDplus Methylflurether ChemIDplus Any oligopeptide that consists of three amino-acid residues connected by peptide linkages. 0 C6H8N3O4R3 186.146 186.05148 C(=O)(NC(C(NC(C(=O)O)*)=O)*)C(N)* CHEBI:27138 CHEBI:9742 KEGG:C00316 Wikipedia:Tripeptide Tripeptide chebi_ontology tripeptides CHEBI:47923 tripeptide Tripeptide KEGG_COMPOUND tripeptides ChEBI Any primary amide having its amide oxygen replaced by sulfur. chebi_ontology thioamide thiocarboxamides thionoamide CHEBI:47956 thiocarboxamide thioamide ChEBI thiocarboxamides ChEBI thionoamide ChEBI An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. CHEBI:82738 Wikipedia:Nicotinic_acetylcholine_receptor chebi_ontology muscarinic agonists nicotinic acetylcholine receptor agonists nicotinic agonist nicotinic agonists CHEBI:47958 nicotinic acetylcholine receptor agonist muscarinic agonists ChEBI nicotinic acetylcholine receptor agonists ChEBI nicotinic agonist ChEBI nicotinic agonists ChEBI Ethers ROR' where R has a double bond adjacent to the oxygen of the ether linkage. 0 C2OR4 40.02080 39.99491 [*]\C([*])=C(\[*])O[*] enol ether chebi_ontology enol ethers CHEBI:47985 enol ether enol ether ChEBI enol ethers ChEBI An amine RNR'R'' where R has a double bond adjacent to the amine nitrogen. 0 C2NR5 38.02810 38.00307 [*]\C([*])=C(\[*])N([*])[*] chebi_ontology enamines CHEBI:47989 enamine enamines ChEBI A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein. chebi_ontology protein synthesis antagonist protein synthesis antagonists protein synthesis inhibitors CHEBI:48001 protein synthesis inhibitor protein synthesis antagonist ChEBI protein synthesis antagonists ChEBI protein synthesis inhibitors ChEBI A family of cyclic heptapeptide hepatotoxins produced by a number of cyanobacteria, the most notable of which is Microcystis, from which the name of the family is derived. Microcystins consist of a heptapeptide macrocycle made up of five non-protein amino acids and two protein amino acids. MetaCyc:Microcystins Wikipedia:Microcystin chebi_ontology microcystins CHEBI:48041 microcystin microcystins ChEBI A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. 0 C16H24O4 InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1 KQNZDYYTLMIZCT-KQPMLPITSA-N 280.35936 280.16746 [H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2 Beilstein:25191 Beilstein:5282047 CAS:20350-15-6 (1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one Brefeldin A chebi_ontology ascotoxin cyanein decumbin CHEBI:48080 brefeldin A Beilstein:25191 Beilstein Beilstein:5282047 Beilstein CAS:20350-15-6 ChemIDplus (1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one IUPAC Brefeldin A ChemIDplus ascotoxin ChemIDplus cyanein ChemIDplus decumbin ChemIDplus Polypeptides synthesized by specific strains of bacteria that are lethal against other strains of the same or related species. CAS:11047-01-1 bacteriocin chebi_ontology bacteriocins CHEBI:48081 bacteriocin CAS:11047-01-1 ChemIDplus bacteriocin ChEBI bacteriocins ChEBI A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. 0 HNO3 InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4) GRYLNZFGIOXLOG-UHFFFAOYSA-N 63.01280 62.99564 O[N+]([O-])=O CHEBI:25545 CHEBI:7580 CAS:7697-37-2 Gmelin:1576 KEGG:C00244 KEGG:D02313 MetaCyc:CPD-15028 PMID:22285512 PMID:23402861 Reaxys:3587310 Wikipedia:Nitric_acid Nitric acid hydrogen trioxonitrate(1-) hydroxidodioxidonitrogen trioxonitric acid chebi_ontology HNO3 HONO2 Salpetersaeure [NO2(OH)] acide azotique acide nitrique azotic acid hydrogen nitrate CHEBI:48107 nitric acid CAS:7697-37-2 ChemIDplus CAS:7697-37-2 NIST Chemistry WebBook Gmelin:1576 Gmelin PMID:22285512 Europe PMC PMID:23402861 Europe PMC Reaxys:3587310 Reaxys Nitric acid KEGG_COMPOUND hydrogen trioxonitrate(1-) IUPAC hydroxidodioxidonitrogen IUPAC trioxonitric acid IUPAC HNO3 IUPAC HONO2 NIST_Chemistry_WebBook Salpetersaeure ChemIDplus [NO2(OH)] IUPAC acide azotique ChEBI acide nitrique ChemIDplus azotic acid ChemIDplus hydrogen nitrate NIST_Chemistry_WebBook A C-nitro compound with formula C6H(6-n)(NO2)n (n can be from 1 up to 6, but is usually 1, 2 or 3). A closed class. chebi_ontology CHEBI:48109 nitrobenzenes A racemate composed of equimolar amounts of (2S,3R)- and (2R,3S)-epoxiconazole. A broad-spectrum fungicide for control of diseases caused by Ascomycetes, Basidiomycetes and Deuteromycetes. Epoxiconazole is moderately toxic to birds, honeybees, earthworms and most aquatic organisms. 0 C17H13ClFN3O 329.75600 329.07312 CAS:133855-98-8 KEGG:C11229 PMID:24274332 PMID:24364671 PMID:24550150 Pesticides:epoxiconazole Reaxys:8150613 Wikipedia:Epoxiconazole rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole chebi_ontology (2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole CHEBI:4811 epoxiconazole CAS:133855-98-8 ChemIDplus CAS:133855-98-8 KEGG COMPOUND PMID:24274332 Europe PMC PMID:24364671 Europe PMC PMID:24550150 Europe PMC Pesticides:epoxiconazole Alan Wood's Pesticides Reaxys:8150613 Reaxys rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole IUPAC (2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole Alan_Wood's_Pesticides rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole Alan_Wood's_Pesticides 0 C6H3N3O6 213.105 213.00218 trinitrobenzene chebi_ontology Trinitrobenzol CHEBI:48110 trinitrobenzene trinitrobenzene IUPAC Trinitrobenzol ChEBI A trinitrobenzene in which each of the nitro groups is meta- to the other two. 0 C6H3N3O6 InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H UATJOMSPNYCXIX-UHFFFAOYSA-N 213.10450 213.00218 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Beilstein:1252144 CAS:99-35-4 Gmelin:27979 Reaxys:1252144 Wikipedia:1,3,5-Trinitrobenzene 1,3,5-trinitrobenzene chebi_ontology 1,3,5-Trinitrobenzol TNB s-trinitrobenzene sym-trinitrobenzene CHEBI:48113 1,3,5-trinitrobenzene Beilstein:1252144 Beilstein CAS:99-35-4 ChemIDplus CAS:99-35-4 NIST Chemistry WebBook Gmelin:27979 Gmelin Reaxys:1252144 Reaxys 1,3,5-trinitrobenzene IUPAC 1,3,5-Trinitrobenzol ChEBI TNB ChemIDplus s-trinitrobenzene NIST_Chemistry_WebBook sym-trinitrobenzene ChemIDplus chebi_ontology 1-glycosylimidazoles CHEBI:48117 1-glycosylimidazole 1-glycosylimidazoles ChEBI Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine. anthracycline chebi_ontology anthracyclines CHEBI:48120 anthracycline anthracycline ChEBI anthracyclines ChEBI chebi_ontology CHEBI:48123 silicate ion A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure. 0 C23H24N2O4S InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ OROAFUQRIXKEMV-LDADJPATSA-N 424.51300 424.14568 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Beilstein:4338002 CAS:133040-01-4 DrugBank:DB00876 Drug_Central:1037 KEGG:C07467 KEGG:D04040 Patent:EP403159 Patent:US5185351 Reaxys:4338002 Wikipedia:Eprosartan 4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid Eprosartan chebi_ontology (E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid (E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid (E)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid eprosartan CHEBI:4814 eprosartan Beilstein:4338002 Beilstein CAS:133040-01-4 ChemIDplus CAS:133040-01-4 KEGG COMPOUND Drug_Central:1037 DrugCentral Reaxys:4338002 Reaxys 4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid IUPAC Eprosartan KEGG_COMPOUND (E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid ChemIDplus (E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid Patent (E)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid IUPHAR eprosartan ChemIDplus chebi_ontology Schwefeloxide oxides of sulfur sulfur oxides CHEBI:48154 sulfur oxide Schwefeloxide ChEBI oxides of sulfur ChEBI sulfur oxides ChEBI sulfamate ester chebi_ontology cyclopentafurofurochromenes CHEBI:48210 cyclopentafurofurochromene cyclopentafurofurochromenes ChEBI A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body). Wikipedia:Antiseptic chebi_ontology antiseptic antiseptic agent antiseptic agents antiseptics local antiinfective agents local microbicides topical antiinfective agents topical microbicides CHEBI:48218 antiseptic drug antiseptic ChEBI antiseptic agent ChEBI antiseptic agents ChEBI antiseptics ChEBI local antiinfective agents ChEBI local microbicides ChEBI topical antiinfective agents ChEBI topical microbicides ChEBI An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. chebi_ontology Desinfektionsmittel desinfectant disinfectants disinfecting agent CHEBI:48219 disinfectant Desinfektionsmittel ChEBI desinfectant ChEBI disinfectants ChEBI disinfecting agent ChEBI calcium oxides chebi_ontology Chromoxide chromium oxides oxides of chromium CHEBI:48235 chromium oxide Chromoxide ChEBI chromium oxides ChEBI oxides of chromium ChEBI A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. 0 CCl3F InChI=1S/CCl3F/c2-1(3,4)5 CYRMSUTZVYGINF-UHFFFAOYSA-N 137.36720 135.90496 FC(Cl)(Cl)Cl Beilstein:1732469 CAS:75-69-4 PMID:1114326 PMID:24189105 PMID:5727092 PMID:8006631 Reaxys:1732469 Wikipedia:Trichlorofluoromethane trichloro(fluoro)methane trichlorofluoromethane chebi_ontology CFC-11 Eskimon 11 Freon 11 R-11 Refrigerant 11 fluorochloroform fluorotrichloromethane monofluorotrichloromethane trichlorofluorocarbon trichloromonofluoromethane CHEBI:48236 trichlorofluoromethane Beilstein:1732469 ChemIDplus CAS:75-69-4 ChemIDplus CAS:75-69-4 NIST Chemistry WebBook PMID:1114326 Europe PMC PMID:24189105 Europe PMC PMID:5727092 Europe PMC PMID:8006631 Europe PMC Reaxys:1732469 Reaxys trichloro(fluoro)methane IUPAC trichlorofluoromethane ChemIDplus CFC-11 ChemIDplus Eskimon 11 ChemIDplus Freon 11 ChemIDplus R-11 ChemIDplus Refrigerant 11 ChemIDplus fluorochloroform ChemIDplus fluorotrichloromethane NIST_Chemistry_WebBook monofluorotrichloromethane NIST_Chemistry_WebBook trichlorofluorocarbon ChemIDplus trichloromonofluoromethane ChemIDplus 0 Cr2O3 InChI=1S/2Cr.3O QDOXWKRWXJOMAK-UHFFFAOYSA-N 151.99040 151.86576 O=[Cr]O[Cr]=O CAS:1308-38-9 Gmelin:11116 chromium(3+) oxide chromium(III) oxide dichromium trioxide chebi_ontology Chrom(III)-oxid chromia chromium sesquioxide chromium(III) sesquioxide green chromium oxide green oxide of chromium CHEBI:48242 dichromium trioxide CAS:1308-38-9 ChemIDplus CAS:1308-38-9 NIST Chemistry WebBook Gmelin:11116 Gmelin chromium(3+) oxide IUPAC chromium(III) oxide IUPAC dichromium trioxide IUPAC Chrom(III)-oxid ChEBI chromia ChemIDplus chromium sesquioxide ChemIDplus chromium(III) sesquioxide ChemIDplus green chromium oxide ChemIDplus green oxide of chromium ChemIDplus chebi_ontology triazolopyrazines CHEBI:48277 triazolopyrazine triazolopyrazines ChEBI chebi_ontology serotonergic agents serotonergic drugs serotonin drugs CHEBI:48278 serotonergic drug serotonergic agents ChEBI serotonergic drugs ChEBI serotonin drugs ChEBI Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. chebi_ontology 5-HT antagonists 5-hydroxytryptamine antagonists antiserotonergic agents serotonin antagonists serotonin blockaders CHEBI:48279 serotonergic antagonist 5-HT antagonists ChEBI 5-hydroxytryptamine antagonists ChEBI antiserotonergic agents ChEBI serotonin antagonists ChEBI serotonin blockaders ChEBI The conjugate base of diclofenac. -1 C14H10Cl2NO2 InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1 DCOPUUMXTXDBNB-UHFFFAOYSA-M 295.14014 294.00941 [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Beilstein:3560933 {2-[(2,6-dichlorophenyl)amino]phenyl}acetate chebi_ontology CHEBI:48311 diclofenac(1-) Beilstein:3560933 Beilstein {2-[(2,6-dichlorophenyl)amino]phenyl}acetate IUPAC A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. chebi_ontology Parfuem aroma arome essence parfum perfume scent CHEBI:48318 fragrance Parfuem ChEBI aroma ChEBI arome ChEBI essence ChEBI parfum ChEBI perfume ChEBI scent ChEBI An acetal that is the dimethyl acetal derivative of formaldehyde. 0 C3H8O2 InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 NKDDWNXOKDWJAK-UHFFFAOYSA-N 76.09442 76.05243 COCOC Beilstein:1697025 CAS:109-87-5 Gmelin:100776 PMID:21766121 PMID:24000449 PMID:24148961 Patent:US2663742 Patent:US2691684 Reaxys:1697025 Wikipedia:Dimethoxymethane dimethoxymethane chebi_ontology 2,4-dioxapentane anesthenyl bis(methoxy)methane bis(methyloxy)methane dimethyl formal formal formaldehyde dimethyl acetal methoxymethyl methyl ether methylal methylene dimethyl ether methylene glycol dimethylether CHEBI:48341 dimethoxymethane Beilstein:1697025 Beilstein CAS:109-87-5 ChemIDplus CAS:109-87-5 NIST Chemistry WebBook Gmelin:100776 Gmelin PMID:21766121 Europe PMC PMID:24000449 Europe PMC PMID:24148961 Europe PMC Reaxys:1697025 Reaxys dimethoxymethane IUPAC 2,4-dioxapentane ChemIDplus anesthenyl ChemIDplus bis(methoxy)methane ChemIDplus bis(methyloxy)methane ChEBI dimethyl formal ChemIDplus formal ChemIDplus formaldehyde dimethyl acetal ChemIDplus methoxymethyl methyl ether ChemIDplus methylal ChemIDplus methylene dimethyl ether ChemIDplus methylene glycol dimethylether NIST_Chemistry_WebBook Compounds of structure RSSR'. chebi_ontology disulfides CHEBI:48343 disulfide disulfides ChEBI A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. 0 C13H9Cl3N2O InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) ICUTUKXCWQYESQ-UHFFFAOYSA-N 315.58200 313.97805 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Beilstein:2814890 CAS:101-20-2 DrugBank:DB11155 Drug_Central:3630 KEGG:D06223 PMID:18048496 PMID:24461429 PMID:24464075 PMID:24562054 PMID:30033524 Patent:GB769273 Patent:US2818390 Reaxys:2814890 Wikipedia:Triclocarban 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea chebi_ontology 1-(3',4'-dichlorophenyl)-3-(4'-chlorophenyl)urea 3,4,4'-trichloro carbanilide 3,4,4'-trichlorocarbanilide 3,4,4'-trichlorodiphenylurea Cutisan N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea Nobacter Solubacter TCC triclocarban triclocarbanum CHEBI:48347 triclocarban Beilstein:2814890 ChemIDplus CAS:101-20-2 ChemIDplus CAS:101-20-2 NIST Chemistry WebBook Drug_Central:3630 DrugCentral PMID:18048496 Europe PMC PMID:24461429 Europe PMC PMID:24464075 Europe PMC PMID:24562054 Europe PMC PMID:30033524 Europe PMC Reaxys:2814890 Reaxys 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea IUPAC 1-(3',4'-dichlorophenyl)-3-(4'-chlorophenyl)urea NIST_Chemistry_WebBook 3,4,4'-trichloro carbanilide NIST_Chemistry_WebBook 3,4,4'-trichlorocarbanilide ChemIDplus 3,4,4'-trichlorodiphenylurea ChemIDplus Cutisan ChemIDplus N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea ChemIDplus Nobacter NIST_Chemistry_WebBook Solubacter ChemIDplus TCC ChemIDplus triclocarban ChemIDplus triclocarbanum ChemIDplus An exogenous or endogenous compound which inhibits serine endopeptidases. chebi_ontology serine proteinase inhibitors CHEBI:48353 serine proteinase inhibitor serine proteinase inhibitors ChEBI A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. polar solvent chebi_ontology polar solvents CHEBI:48354 polar solvent polar solvent IUPAC polar solvents ChEBI chebi_ontology CHEBI:48355 non-polar solvent A polar solvent that is capable of acting as a hydron (proton) donor. protogenic solvent chebi_ontology CHEBI:48356 protic solvent protogenic solvent IUPAC chebi_ontology CHEBI:48357 aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. dipolar aprotic solvent chebi_ontology CHEBI:48358 polar aprotic solvent dipolar aprotic solvent IUPAC Solvent that is capable of acting as a hydron (proton) acceptor. protophilic solvent chebi_ontology HBA solvent hydrogen bond acceptor solvent CHEBI:48359 protophilic solvent protophilic solvent IUPAC HBA solvent ChEBI hydrogen bond acceptor solvent ChEBI Self-ionizing solvent possessing both characteristics of Bronsted acids and bases. amphiprotic solvent chebi_ontology CHEBI:48360 amphiprotic solvent amphiprotic solvent IUPAC 0 CH4N2O InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) XSQUKJJJFZCRTK-UHFFFAOYSA-N 60.05534 60.03236 NC(O)=N Beilstein:773698 CAS:4744-36-9 carbamimidic acid chebi_ontology H2N-C(=NH)-OH H2N-C(OH)=NH HO-C(=NH)-NH2 Isoharnstoff carbamimic acid carbonamidimidic acid isourea pseudourea CHEBI:48376 carbamimidic acid Beilstein:773698 Beilstein CAS:4744-36-9 ChemIDplus carbamimidic acid IUPAC H2N-C(=NH)-OH IUPAC H2N-C(OH)=NH IUPAC HO-C(=NH)-NH2 IUPAC Isoharnstoff ChEBI carbamimic acid ChemIDplus carbonamidimidic acid IUPAC isourea ChemIDplus pseudourea ChemIDplus Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH). imidic acid imidic acids chebi_ontology imidic acids imino acids CHEBI:48377 imidic acid imidic acid ChEBI imidic acids IUPAC imidic acids ChEBI imino acids IUPAC carboximidic acid carboximidic acids chebi_ontology carboximidic acids CHEBI:48378 carboximidic acid carboximidic acid ChEBI carboximidic acids IUPAC carboximidic acids ChEBI A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. isoureas chebi_ontology isoureas CHEBI:48379 isourea isoureas IUPAC isoureas ChEBI The simplest member of the class of methanediols that is methane in which two of the hydrogens have been substituted by hydroxy groups. 0 CH4O2 InChI=1S/CH4O2/c2-1-3/h2-3H,1H2 CKFGINPQOCXMAZ-UHFFFAOYSA-N 48.04126 48.02113 OCO Beilstein:1730798 CAS:463-57-0 Reaxys:1730798 Wikipedia:Methanediol methanediol chebi_ontology Methandiol Methylene glycol dihydroxymethane formaldehyde hydrate CHEBI:48397 methanediol Beilstein:1730798 Beilstein CAS:463-57-0 ChemIDplus CAS:463-57-0 NIST Chemistry WebBook Reaxys:1730798 Reaxys methanediol IUPAC Methandiol ChEBI Methylene glycol ChemIDplus dihydroxymethane ChEBI formaldehyde hydrate ChEBI A drug used in the treatment of Parkinson's disease. Wikipedia:Antiparkinson chebi_ontology antiparkinson agent CHEBI:48407 antiparkinson drug antiparkinson agent ChEBI A member of the class of biphenyls that consists of a biphenyl ring system substituted by a tetrazole ring at an unspecified position. chebi_ontology biphenylyltetrazoles CHEBI:48420 biphenylyltetrazole biphenylyltetrazoles ChEBI An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. CHEBI:67170 Wikipedia:Angiogenesis_inhibitor chebi_ontology angiogenesis antagonist angiostatic agents anti-angiogenic agent CHEBI:48422 angiogenesis inhibitor angiogenesis antagonist ChEBI angiostatic agents ChEBI anti-angiogenic agent ChEBI A local anesthetic that is used to numb the surface of a body part. chebi_ontology topical anaesthetics topical anesthetic CHEBI:48425 topical anaesthetic topical anaesthetics ChEBI topical anesthetic ChEBI A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease. 0 C6H10O3 InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) BKAJNAXTPSGJCU-UHFFFAOYSA-N 130.14180 130.06299 CC(C)CC(=O)C(O)=O CHEBI:1891 CHEBI:41619 CAS:816-66-0 DrugBank:DB03229 HMDB:HMDB0000695 KEGG:C00233 KNApSAcK:C00019677 MetaCyc:2K-4CH3-PENTANOATE PDBeChem:COI PMID:14636955 PMID:22770225 Reaxys:1701823 4-methyl-2-oxopentanoic acid chebi_ontology 2-OXO-4-METHYLPENTANOIC ACID 2-Oxoisocaproate 4-Methyl-2-oxopentanoate 4-methyl-2-oxovaleric acid Ketoleucine alpha-ketoisocaproic acid CHEBI:48430 4-methyl-2-oxopentanoic acid CAS:816-66-0 ChemIDplus CAS:816-66-0 KEGG COMPOUND PMID:14636955 Europe PMC PMID:22770225 Europe PMC Reaxys:1701823 Reaxys 4-methyl-2-oxopentanoic acid IUPAC 2-OXO-4-METHYLPENTANOIC ACID PDBeChem 2-Oxoisocaproate KEGG_COMPOUND 4-Methyl-2-oxopentanoate KEGG_COMPOUND 4-methyl-2-oxovaleric acid ChemIDplus Ketoleucine HMDB alpha-ketoisocaproic acid ChemIDplus A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group. 0 CH3NO InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) ZHNUHDYFZUAESO-UHFFFAOYSA-N 45.04066 45.02146 [H]C(O)=N Beilstein:1918433 PMID:16331898 Reaxys:1918433 imidoformic acid chebi_ontology CHEBI:48431 formimidic acid Beilstein:1918433 Beilstein PMID:16331898 Europe PMC Reaxys:1918433 Reaxys imidoformic acid IUPAC CAS:11128-99-7 chebi_ontology 1-8-angiotensin I ang II angiotensina II angiotensinum II CHEBI:48432 angiotensin II CAS:11128-99-7 ChemIDplus 1-8-angiotensin I ChemIDplus ang II IUPHAR angiotensina II ChemIDplus angiotensinum II ChemIDplus chebi_ontology CHEBI:48433 angiotensin chebi_ontology thiophenecarboxylic acids CHEBI:48436 thiophenecarboxylic acid thiophenecarboxylic acids ChEBI chebi_ontology cyclopentapyrimidines CHEBI:48437 cyclopentapyrimidine cyclopentapyrimidines ChEBI chebi_ontology sulfamoylbenzoates CHEBI:48471 sulfamoylbenzoate sulfamoylbenzoates ChEBI A thiol in which the sulfanyl group is attached to a phenyl group. 0 C6H6S InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H RMVRSNDYEFQCLF-UHFFFAOYSA-N 110.178 110.01902 C=1C(=CC=CC1)S Beilstein:506523 CAS:108-98-5 HMDB:HMDB0033746 MetaCyc:CPD-8132 PMID:23902004 PMID:23961762 Reaxys:506523 Wikipedia:Thiophenol benzenethiol chebi_ontology Phenylthiol mercaptobenzene phenyl mercaptan CHEBI:48498 thiophenol Beilstein:506523 Beilstein CAS:108-98-5 ChemIDplus PMID:23902004 Europe PMC PMID:23961762 Europe PMC Reaxys:506523 Reaxys benzenethiol IUPAC Phenylthiol ChemIDplus mercaptobenzene ChemIDplus phenyl mercaptan ChemIDplus chebi_ontology aryloxypyrimidines CHEBI:48535 aryloxypyrimidine aryloxypyrimidines ChEBI Any drug that acts on an alpha-adrenergic receptor. chebi_ontology alpha-adrenergic drugs CHEBI:48539 alpha-adrenergic drug alpha-adrenergic drugs ChEBI Any of the drugs that act on beta-adrenergic receptors. chebi_ontology beta-adrenergic drugs CHEBI:48540 beta-adrenergic drug beta-adrenergic drugs ChEBI Esters or salts of methanesulfonic acid. chebi_ontology CHEBI:48544 methanesulfonates An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). chebi_ontology ALR2 inhibitor ALR2 inhibitors EC 1.1.1.21 (aldehyde reductase) inhibitors EC 1.1.1.21 inhibitor EC 1.1.1.21 inhibitors NADPH-aldopentose reductase inhibitor NADPH-aldopentose reductase inhibitors NADPH-aldose reductase inhibitor NADPH-aldose reductase inhibitors aldehyde reductase (EC 1.1.1.21) inhibitor aldehyde reductase (EC 1.1.1.21) inhibitors aldehyde reductase inhibitor aldehyde reductase inhibitors alditol:NAD(P)(+) 1-oxidoreductase inhibitor alditol:NAD(P)(+) 1-oxidoreductase inhibitors alditol:NADP oxidoreductase inhibitor alditol:NADP oxidoreductase inhibitors alditol:NADP(+) 1-oxidoreductase inhibitor alditol:NADP(+) 1-oxidoreductase inhibitors aldose reductase inhibitor aldose reductase inhibitors polyol dehydrogenase (NADP(+)) inhibitor polyol dehydrogenase (NADP(+)) inhibitors CHEBI:48550 EC 1.1.1.21 (aldehyde reductase) inhibitor ALR2 inhibitor ChEBI ALR2 inhibitors ChEBI EC 1.1.1.21 (aldehyde reductase) inhibitors ChEBI EC 1.1.1.21 inhibitor ChEBI EC 1.1.1.21 inhibitors ChEBI NADPH-aldopentose reductase inhibitor ChEBI NADPH-aldopentose reductase inhibitors ChEBI NADPH-aldose reductase inhibitor ChEBI NADPH-aldose reductase inhibitors ChEBI aldehyde reductase (EC 1.1.1.21) inhibitor ChEBI aldehyde reductase (EC 1.1.1.21) inhibitors ChEBI aldehyde reductase inhibitor ChEBI aldehyde reductase inhibitors ChEBI alditol:NAD(P)(+) 1-oxidoreductase inhibitor ChEBI alditol:NAD(P)(+) 1-oxidoreductase inhibitors ChEBI alditol:NADP oxidoreductase inhibitor ChEBI alditol:NADP oxidoreductase inhibitors ChEBI alditol:NADP(+) 1-oxidoreductase inhibitor ChEBI alditol:NADP(+) 1-oxidoreductase inhibitors ChEBI aldose reductase inhibitor ChEBI aldose reductase inhibitors ChEBI polyol dehydrogenase (NADP(+)) inhibitor ChEBI polyol dehydrogenase (NADP(+)) inhibitors ChEBI 0 CH4N3 58.06268 58.04052 *NC(N)=N CHEBI:30091 CHEBI:48091 carbamimidamido chebi_ontology -NH-C(=NH)-NH2 H2N-C(=NH)-NH- carbamimidamido group carbamimidoylamino guanidino CHEBI:48551 guanidino group carbamimidamido IUPAC -NH-C(=NH)-NH2 ChEBI H2N-C(=NH)-NH- IUPAC carbamimidamido group ChEBI carbamimidoylamino IUPAC guanidino JCBN A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons. chebi_ontology dopamine agent dopamine agents dopamine drug dopamine drugs dopaminergic agents CHEBI:48560 dopaminergic agent dopamine agent ChEBI dopamine agents ChEBI dopamine drug ChEBI dopamine drugs ChEBI dopaminergic agents ChEBI A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. chebi_ontology dopamine antagonist dopamine blocker dopamine receptor antagonist dopaminergic antagonists CHEBI:48561 dopaminergic antagonist dopamine antagonist ChEBI dopamine blocker ChEBI dopamine receptor antagonist ChEBI dopaminergic antagonists ChEBI A role played by a substance that can react readily with, and thereby eliminate, radicals. chebi_ontology free radical scavengers free-radical scavenger CHEBI:48578 radical scavenger free radical scavengers ChEBI free-radical scavenger ChEBI chebi_ontology heteroarylpiperidines CHEBI:48585 heteroarylpiperidine heteroarylpiperidines ChEBI chebi_ontology piperidone CHEBI:48589 piperidones piperidone ChEBI chebi_ontology hydroxypiperidines CHEBI:48590 hydroxypiperidine hydroxypiperidines ChEBI A metal chloride salt with a Li(+) counterion. 0 ClLi InChI=1S/ClH.Li/h1H;/q;+1/p-1 KWGKDLIKAYFUFQ-UHFFFAOYSA-M 42.39370 41.98486 [Li+].[Cl-] CAS:7447-41-8 PMID:21301855 PMID:24398558 lithium chloride chebi_ontology LiCl Lithiumchlorid chlorure de lithium cloruro de litio lithii chloridum CHEBI:48607 lithium chloride lithium chloride chebi_ontology pyranoindolizinoquinolines CHEBI:48626 pyranoindolizinoquinoline pyranoindolizinoquinolines ChEBI A drug that affects the function of fibrin in blood coagulation. chebi_ontology fibrin modulating agent fibrin modulating agents fibrin modulating drugs CHEBI:48676 fibrin modulating drug fibrin modulating agent ChEBI fibrin modulating agents ChEBI fibrin modulating drugs ChEBI chebi_ontology benzothiazepines CHEBI:48684 benzothiazepine benzothiazepines ChEBI Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own. agonist chebi_ontology agonista agoniste agonists CHEBI:48705 agonist agonist IUPAC agonista ChEBI agoniste ChEBI agonists ChEBI Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances. antagonist chebi_ontology antagonista antagoniste antagonists CHEBI:48706 antagonist antagonist IUPAC antagonista ChEBI antagoniste ChEBI antagonists ChEBI Any member of the class of nitroanisoles in which a single nitro group is attached to the anisole ring. 0 C7H7NO3 153.136 153.04259 CHEBI:48971 chebi_ontology substituted nitroanisole substituted nitroanisoles CHEBI:48721 mononitroanisoles substituted nitroanisole ChEBI substituted nitroanisoles ChEBI A member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group. 0 C7H7NO3 InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 CFBYEGUGFPZCNF-UHFFFAOYSA-N 153.13542 153.04259 COc1ccccc1[N+]([O-])=O Beilstein:1868032 CAS:91-23-6 KEGG:C19270 PMID:16601807 PMID:21187827 PMID:21217841 PMID:21946300 Patent:CN101643419 Reaxys:1868032 1-methoxy-2-nitrobenzene chebi_ontology 1-Nitro-2-methoxybenzene o-Nitroanisole o-Nitrophenyl methyl ether o-methoxynitrobenzene CHEBI:48722 2-nitroanisole Beilstein:1868032 Beilstein CAS:91-23-6 ChemIDplus CAS:91-23-6 KEGG COMPOUND CAS:91-23-6 NIST Chemistry WebBook PMID:16601807 Europe PMC PMID:21187827 Europe PMC PMID:21217841 Europe PMC PMID:21946300 Europe PMC Reaxys:1868032 Reaxys 1-methoxy-2-nitrobenzene IUPAC 1-Nitro-2-methoxybenzene ChemIDplus o-Nitroanisole ChemIDplus o-Nitroanisole KEGG_COMPOUND o-Nitrophenyl methyl ether ChemIDplus o-methoxynitrobenzene ChEBI A monomethoxybenzene carrying one or more nitro substituents. chebi_ontology CHEBI:48726 nitroanisoles Any member of the class of mononitroanisoles in which the nitro group is situated ortho to the methoxy group. 0 C7H3NO3R4 149.104 149.01129 COc1c([*])c([*])c([*])c([*])c1[N+]([O-])=O chebi_ontology CHEBI:48727 2-nitroanisoles aluminosilicate mineral The organoarsenic compound that is arsenic acid substituted on the central arsenic atom with two methyl groups. 0 C2H7AsO2 InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) OGGXGZAMXPVRFZ-UHFFFAOYSA-N 137.99738 137.96620 C[As](C)(O)=O CHEBI:29839 CHEBI:48764 Beilstein:1736965 CAS:75-60-5 Drug_Central:3058 Gmelin:130562 KEGG:C07308 PDBeChem:CAD PMID:11379771 PMID:11549254 PMID:21342701 PMID:21457993 PMID:21608259 PPDB:2879 Reaxys:1736965 Wikipedia:Cacodylic_acid dimethylarsinic acid chebi_ontology CACODYLIC ACID Dimethylarsinate Kakodylsaeure Me2As(=O)OH [As(CH3)2O(OH)] CHEBI:48765 dimethylarsinic acid Beilstein:1736965 ChemIDplus CAS:75-60-5 ChemIDplus CAS:75-60-5 KEGG COMPOUND CAS:75-60-5 NIST Chemistry WebBook Drug_Central:3058 DrugCentral Gmelin:130562 Gmelin PMID:11379771 Europe PMC PMID:11549254 Europe PMC PMID:21342701 Europe PMC PMID:21457993 Europe PMC PMID:21608259 Europe PMC Reaxys:1736965 Reaxys dimethylarsinic acid IUPAC CACODYLIC ACID PDBeChem Dimethylarsinate KEGG_COMPOUND Kakodylsaeure ChEBI Me2As(=O)OH IUPAC [As(CH3)2O(OH)] ChEBI An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone. 0 C10H24N2O2 InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 AEUTYOVWOVBAKS-UWVGGRQHSA-N 204.30980 204.18378 CC[C@@H](CO)NCCN[C@@H](CC)CO CHEBI:133410 CHEBI:659237 CHEBI:678172 Beilstein:6312870 CAS:74-55-5 DrugBank:DB00330 Drug_Central:1073 KEGG:C06984 KEGG:D07925 PMID:10649975 PMID:10891117 PMID:10966749 PMID:12182855 PMID:14695841 PMID:14698152 PMID:15225698 PMID:16005211 PMID:16759086 PMID:16870429 PMID:17210775 PMID:17239593 PMID:17276683 PMID:17315960 PMID:17331717 PMID:17562368 PMID:17851083 PMID:17888665 PMID:19524332 PMID:19648006 PMID:3934384 Reaxys:6312870 Wikipedia:Ethambutol (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol Ethambutol chebi_ontology (+)-2,2'-(ethylenediimino)di-1-butanol (+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine (+)-S,S-ethambutol (+)-ethambutol (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol (S,S)-ethambutol EMB S,S-Ethambutol etambutol ethambutol ethambutolum CHEBI:4877 ethambutol Beilstein:6312870 Beilstein CAS:74-55-5 ChemIDplus CAS:74-55-5 KEGG COMPOUND Drug_Central:1073 DrugCentral PMID:10649975 ChEMBL PMID:10891117 ChEMBL PMID:10966749 ChEMBL PMID:12182855 ChEMBL PMID:14695841 ChEMBL PMID:14698152 ChEMBL PMID:15225698 ChEMBL PMID:16005211 ChEMBL PMID:16759086 ChEMBL PMID:16870429 ChEMBL PMID:17210775 ChEMBL PMID:17239593 ChEMBL PMID:17276683 ChEMBL PMID:17315960 ChEMBL PMID:17331717 ChEMBL PMID:17562368 ChEMBL PMID:17851083 ChEMBL PMID:17888665 ChEMBL PMID:19524332 ChEMBL PMID:19648006 ChEMBL PMID:3934384 ChEMBL Reaxys:6312870 Reaxys (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol IUPAC Ethambutol KEGG_COMPOUND (+)-2,2'-(ethylenediimino)di-1-butanol ChemIDplus (+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine ChemIDplus (+)-S,S-ethambutol ChemIDplus (+)-ethambutol ChEBI (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol ChEBI (S,S)-ethambutol ChEBI EMB ChEBI S,S-Ethambutol ChEMBL etambutol ChemIDplus ethambutol ChemIDplus ethambutolum ChemIDplus 0 CN 26.017 26.00307 C(#N)* CHEBI:36824 CHEBI:48818 PDBeChem:CYN cyanido cyano chebi_ontology -C#N -CN CYANIDE GROUP NC- carbonitrile group CHEBI:48819 cyano group cyanido IUPAC cyano IUPAC -C#N IUPAC -CN IUPAC CYANIDE GROUP PDBeChem NC- IUPAC carbonitrile group ChEBI Semisynthetic derivative of erythromycin A. 0 C41H76N2O15 InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-HITVVWEBSA-N 837.04662 836.52457 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O Beilstein:6951235 DrugBank:DB00778 LINCS:LSM-20929 Patent:FR2473525 Patent:US4349545 (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one chebi_ontology 9-[O-(2-methoxyethoxymethyl)-oxime] of erythromycin CHEBI:48844 roxithromycin Beilstein:6951235 Beilstein (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one IUPAC 9-[O-(2-methoxyethoxymethyl)-oxime] of erythromycin Patent Any fatty acid containing a ring composed of atoms including at least one heteroatom. heterocyclic fatty acid chebi_ontology heterocyclic fatty acids CHEBI:48847 heterocyclic fatty acid heterocyclic fatty acid ChEBI heterocyclic fatty acids ChEBI 0 C21H38O8 InChI=1S/C21H38O8/c1-8-14-21(7,28)18(25)11(3)15(22)10(2)9-20(6,27)17(24)12(4)16(23)13(5)19(26)29-14/h10-14,16-18,23-25,27-28H,8-9H2,1-7H3/t10-,11+,12+,13-,14-,16+,17-,18-,20-,21-/m1/s1 YVTFLQUPRIIRFE-QUMKBVJLSA-N 418.52162 418.25667 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Beilstein:4570921 CAS:26754-37-0 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione chebi_ontology Erythronolid A CHEBI:48848 erythronolide A Beilstein:4570921 Beilstein CAS:26754-37-0 ChemIDplus (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC Erythronolid A ChEBI Naphthalenes in which one or more alkyloxy groups are bonded to a naphthalene ring system. chebi_ontology alkoxynaphthalenes alkyloxynaphthalenes CHEBI:48850 alkyloxynaphthalene alkoxynaphthalenes ChEBI alkyloxynaphthalenes ChEBI Any alkyloxynaphthalene bearing one or more methoxy substituents. chebi_ontology CHEBI:48851 methoxynaphthalene Any member of the class of naphthalenes carrying two methyl groups at unspecified positions. chebi_ontology CHEBI:48853 dimethylnaphthalene 0 H2O3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3) LSNNMFCWUKXFEE-UHFFFAOYSA-N 82.08008 81.97247 OS(O)=O CHEBI:26837 CHEBI:9344 CAS:7782-99-2 Gmelin:1458 KEGG:C00094 KNApSAcK:C00019662 PDBeChem:SO3 UM-BBD_compID:c0348 Sulfurous acid dihydrogen trioxosulfate dihydroxidooxidosulfur sulfurous acid trioxosulfuric acid chebi_ontology H2SO3 S(O)(OH)2 Sulfite [SO(OH)2] acide sulfureux acido sulfuroso schweflige Saeure sulphurous acid CHEBI:48854 sulfurous acid CAS:7782-99-2 ChemIDplus Gmelin:1458 Gmelin UM-BBD_compID:c0348 UM-BBD Sulfurous acid KEGG_COMPOUND dihydrogen trioxosulfate IUPAC dihydroxidooxidosulfur IUPAC sulfurous acid IUPAC trioxosulfuric acid IUPAC H2SO3 IUPAC S(O)(OH)2 IUPAC Sulfite KEGG_COMPOUND [SO(OH)2] IUPAC acide sulfureux ChEBI acido sulfuroso ChEBI schweflige Saeure ChemIDplus sulphurous acid ChemIDplus Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. chebi_ontology Anticholinergika Anticholinergikum acetylcholine antagonists acetylcholine receptor antagonist agent anticholinergique agente anticolinergico agentes anticolinergicos anticholinergic agents anticholinergics anticholinergiques anticolinergicos cholinergic-blocking agents CHEBI:48873 cholinergic antagonist Anticholinergika ChEBI Anticholinergikum ChEBI acetylcholine antagonists ChEBI acetylcholine receptor antagonist IUPHAR agent anticholinergique ChEBI agente anticolinergico ChEBI agentes anticolinergicos ChEBI anticholinergic agents ChEBI anticholinergics ChEBI anticholinergiques ChEBI anticolinergicos ChEBI cholinergic-blocking agents ChEBI A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. chebi_ontology Antimuskarinika Antimuskarinikum agente antimuscarinico agentes antimuscarinicos agents antimuscariniques antimuscarinic agents antimuscarinicos muscarinic acetylcholine receptor antagonist muscarinic antagonists CHEBI:48876 muscarinic antagonist Antimuskarinika ChEBI Antimuskarinikum ChEBI agente antimuscarinico ChEBI agentes antimuscarinicos ChEBI agents antimuscariniques ChEBI antimuscarinic agents ChEBI antimuscarinicos ChEBI muscarinic acetylcholine receptor antagonist ChEBI muscarinic antagonists ChEBI An antagonist at the nicotinic cholinergic receptor. Wikipedia:Nicotinic_antagonist chebi_ontology agente antinicotinico agentes antinicotinicos agents antinicotiniques antinicotinicos nicotinic acetylcholine receptor antagonist nicotinic acetylcholine receptor antagonists nicotinic antagonists nicotinic cholinergic antagonist nicotinic cholinergic antagonists CHEBI:48878 nicotinic antagonist agente antinicotinico ChEBI agentes antinicotinicos ChEBI agents antinicotiniques ChEBI antinicotinicos ChEBI nicotinic acetylcholine receptor antagonist ChEBI nicotinic acetylcholine receptor antagonists ChEBI nicotinic antagonists ChEBI nicotinic cholinergic antagonist ChEBI nicotinic cholinergic antagonists ChEBI chebi_ontology thiazolidinones CHEBI:48891 thiazolidinone thiazolidinones ChEBI chebi_ontology oxadiazanes CHEBI:48898 oxadiazane oxadiazanes ChEBI An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom. chebi_ontology thiazole CHEBI:48901 thiazoles thiazole ChEBI chebi_ontology 1,2-thiazole isothiazoles CHEBI:48902 1,2-thiazoles 1,2-thiazole ChEBI isothiazoles ChEBI chebi_ontology imidazothiazoles CHEBI:48909 imidazothiazole imidazothiazoles ChEBI chebi_ontology CHEBI:48912 benzotriazoles Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus). DrugBank:DB00199 HMDB:HMDB0014344 Patent:US2653899 Wikipedia:Erythromycin chebi_ontology eritromicina erthromycin erythromycine CHEBI:48923 erythromycin eritromicina ChEBI erthromycin ChEBI erythromycine ChEBI chebi_ontology CHEBI:48924 erythromycin derivative Any L-alpha-amino acid carrying an N-acyl substituent. 0 C3H3NO3R2 101.061 101.01129 CHEBI:13240 CHEBI:7232 KEGG:C02850 chebi_ontology N-Acyl-L-amino acid CHEBI:48927 N-acyl-L-alpha-amino acid N-Acyl-L-amino acid KEGG_COMPOUND A major geometrical isomer of roxithromycin. 0 C41H76N2O15 InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-XMRMVWPWSA-N 837.04662 836.52457 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O CHEBI:45437 CHEBI:48846 Beilstein:5900029 CAS:80214-83-1 Drug_Central:2410 HMDB:HMDB0014916 PDBeChem:ROX PMID:12575424 PMID:24462419 Reaxys:5900029 (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one chebi_ontology (9E)-erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime) ROXITHROMYCIN roxithromycin roxithromycine roxithromycinum roxitromicina CHEBI:48935 (E)-roxithromycin Beilstein:5900029 Beilstein CAS:80214-83-1 ChemIDplus Drug_Central:2410 DrugCentral PMID:12575424 Europe PMC PMID:24462419 Europe PMC Reaxys:5900029 Reaxys (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one IUPAC (9E)-erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime) ChemIDplus ROXITHROMYCIN PDBeChem roxithromycin ChemIDplus roxithromycine ChemIDplus roxithromycinum ChemIDplus roxitromicina ChemIDplus A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle. -1 C5H9O2 InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 GWYFCOCPABKNJV-UHFFFAOYSA-M 101.12376 101.06080 CC(C)CC([O-])=O Beilstein:773692 PMID:19138353 3-methylbutanoate isovalerate chebi_ontology 3-methyl-n-butyrate 3-methylbutyrate beta-methylbutyrate delphinate isopentanoate isopropylacetate isovalerianate CHEBI:48942 isovalerate Beilstein:773692 Beilstein PMID:19138353 Europe PMC 3-methylbutanoate IUPAC isovalerate UniProt 3-methyl-n-butyrate ChEBI 3-methylbutyrate ChEBI beta-methylbutyrate ChEBI delphinate ChEBI isopentanoate ChEBI isopropylacetate ChEBI isovalerianate ChEBI A member of the class of propanals that is propanal substituted by a methyl group at position 2. 0 C4H8O InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 AMIMRNSIRUDHCM-UHFFFAOYSA-N 72.10572 72.05751 [H]C(=O)C(C)C Beilstein:605330 CAS:78-84-2 Gmelin:1658 HMDB:HMDB0031243 MetaCyc:CPD-7000 PMID:22731523 PMID:22974724 PMID:24397404 Patent:WO2013192237 Reaxys:605330 Wikipedia:Isobutyraldehyde 2-methylpropanal chebi_ontology 2-methylpropanal 2-methylpropionaldehyde alpha-methylpropionaldehyde isobutanal isobutylaldehyde isobutyric aldehyde CHEBI:48943 isobutyraldehyde Beilstein:605330 Beilstein CAS:78-84-2 ChemIDplus CAS:78-84-2 NIST Chemistry WebBook Gmelin:1658 Gmelin PMID:22731523 Europe PMC PMID:22974724 Europe PMC PMID:24397404 Europe PMC Reaxys:605330 Reaxys 2-methylpropanal IUPAC 2-methylpropanal UniProt 2-methylpropionaldehyde ChemIDplus alpha-methylpropionaldehyde NIST_Chemistry_WebBook isobutanal ChemIDplus isobutylaldehyde ChemIDplus isobutyric aldehyde ChemIDplus -1 C5H9O2 InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 WLAMNBDJUVNPJU-UHFFFAOYSA-M 101.12376 101.06080 CCC(C)C([O-])=O Beilstein:4127269 2-methylbutanoate chebi_ontology 2-methylbutanoate CHEBI:48946 2-methylbutyrate Beilstein:4127269 Beilstein 2-methylbutanoate IUPAC 2-methylbutanoate UniProt 0 C6H12N4O2 InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3 VLSDXINSOMDCBK-UHFFFAOYSA-N 172.18524 172.09603 CN(C)C(=O)N=NC(=O)N(C)C Beilstein:1910409 CAS:10465-78-8 Gmelin:913769 1,1'-azobis(N,N-dimethylformamide) N,N,N',N'-tetramethyldiazene-1,2-dicarboxamide chebi_ontology 3-(N,N-dimethylcarbamoylimido)-1,1-dimethylurea Diamide N,N,N',N'-tetramethylazobisformamide N,N,N',N'-tetramethylazodicarboxamide N,N,N',N'-tetramethylazoformamide TMAD azodicarboxylic acid bis-dimethylamide diazenedicarboxylic acid bis(N,N-dimethylamide) tetramethyldiazenedicarboxamide CHEBI:48958 1,1'-azobis(N,N-dimethylformamide) Beilstein:1910409 ChemIDplus CAS:10465-78-8 ChemIDplus Gmelin:913769 Gmelin 1,1'-azobis(N,N-dimethylformamide) ChemIDplus N,N,N',N'-tetramethyldiazene-1,2-dicarboxamide IUPAC 3-(N,N-dimethylcarbamoylimido)-1,1-dimethylurea ChemIDplus Diamide ChemIDplus N,N,N',N'-tetramethylazobisformamide ChemIDplus N,N,N',N'-tetramethylazodicarboxamide ChemIDplus N,N,N',N'-tetramethylazoformamide ChemIDplus TMAD ChemIDplus azodicarboxylic acid bis-dimethylamide ChemIDplus diazenedicarboxylic acid bis(N,N-dimethylamide) ChemIDplus tetramethyldiazenedicarboxamide ChemIDplus Compounds containing single -N=N- group. monoazo compounds chebi_ontology CHEBI:48959 monoazo compound monoazo compounds IUPAC Any azo compound containing two -N=N- groups. bis(azo) compound chebi_ontology bis(azo) compounds CHEBI:48960 bis(azo) compound bis(azo) compound IUPAC bis(azo) compounds ChEBI chebi_ontology substituted anilines CHEBI:48975 substituted aniline substituted anilines ChEBI Any member of the class of mononitroanisoles in which the nitro group is situated para to the methoxy group. 0 C7H3NO3R4 149.10360 149.01129 COc1c([*])c([*])c(c([*])c1[*])[N+]([O-])=O chebi_ontology CHEBI:48976 4-nitroanisoles 0 C7H8N2O3 InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3 NIPDVSLAMPAWTP-UHFFFAOYSA-N 168.15010 168.05349 COc1ccc(cc1N)[N+]([O-])=O Beilstein:879620 CAS:99-59-2 KEGG:C19469 2-Methoxy-5-nitroaniline 2-methoxy-5-nitroaniline chebi_ontology 2-Amino-1-methoxy-4-nitrobenzene 2-Amino-4-nitroanisole 2-Methoxy-5-nitrobenzenamine 5-Nitro-2-methoxyaniline 5-Nitro-o-anisidine Azoamine Scarlet K Fast Scarlet R CHEBI:48977 2-methoxy-5-nitroaniline Beilstein:879620 Beilstein CAS:99-59-2 ChemIDplus CAS:99-59-2 KEGG COMPOUND CAS:99-59-2 NIST Chemistry WebBook 2-Methoxy-5-nitroaniline KEGG_COMPOUND 2-methoxy-5-nitroaniline IUPAC 2-Amino-1-methoxy-4-nitrobenzene ChemIDplus 2-Amino-4-nitroanisole ChemIDplus 2-Methoxy-5-nitrobenzenamine ChemIDplus 5-Nitro-2-methoxyaniline ChemIDplus 5-Nitro-o-anisidine ChemIDplus Azoamine Scarlet K NIST_Chemistry_WebBook Fast Scarlet R ChemIDplus A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. chebi_ontology hormone antagonists CHEBI:49020 hormone antagonist hormone antagonists ChEBI A compound that inhibits the action of prostaglandins. Wikipedia:Prostaglandin_antagonist chebi_ontology prostaglandin inhibitor CHEBI:49023 prostaglandin antagonist prostaglandin inhibitor ChEBI A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group. 0 C2H5NO InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) DLFVBJFMPXGRIB-UHFFFAOYSA-N 59.06724 59.03711 CC(O)=N Beilstein:2231425 PMID:17311153 PMID:18767022 Reaxys:2231425 acetimidic acid chebi_ontology ethanimidic acid CHEBI:49028 acetimidic acid Beilstein:2231425 Beilstein PMID:17311153 Europe PMC PMID:18767022 Europe PMC Reaxys:2231425 Reaxys acetimidic acid IUPAC ethanimidic acid IUPAC A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration. 0 C20H24O2 InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 BFPYWIDHMRZLRN-SLHNCBLASA-N 296.40336 296.17763 [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(O)ccc21 Beilstein:2419975 CAS:57-63-6 DrugBank:DB00977 Drug_Central:1082 HMDB:HMDB0001926 KEGG:C07534 KEGG:D00554 LINCS:LSM-5593 LIPID_MAPS_instance:LMST02010036 PMID:20189629 Reaxys:2419975 VSDB:1887 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol 17alpha-ethynylestradiol chebi_ontology 17-ethinyl-3,17-estradiol 17-ethinyl-3,17-oestradiol 17-ethinylestradiol 17alpha-Ethinyl estradiol Ethinyl estradiol Ethinylestradiol Ethynyl estradiol ethinyloestradiol CHEBI:4903 17alpha-ethynylestradiol Beilstein:2419975 ChemIDplus CAS:57-63-6 ChemIDplus CAS:57-63-6 KEGG COMPOUND Drug_Central:1082 DrugCentral LIPID_MAPS_instance:LMST02010036 LIPID MAPS PMID:20189629 Europe PMC Reaxys:2419975 Reaxys 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol IUPAC 17alpha-ethynylestradiol UniProt 17-ethinyl-3,17-estradiol ChemIDplus 17-ethinyl-3,17-oestradiol ChemIDplus 17-ethinylestradiol ChemIDplus 17alpha-Ethinyl estradiol KEGG_COMPOUND Ethinyl estradiol KEGG_COMPOUND Ethinylestradiol KEGG_COMPOUND Ethynyl estradiol KEGG_COMPOUND ethinyloestradiol ChemIDplus chebi_ontology 1,3-lactone 1,3-lactones beta-lactones CHEBI:49043 beta-lactone 1,3-lactone ChEBI 1,3-lactones ChEBI beta-lactones ChEBI 0 C3H4O2 InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2 VEZXCJBBBCKRPI-UHFFFAOYSA-N 72.06266 72.02113 O=C1CCO1 Beilstein:1360 CAS:57-57-8 Drug_Central:3495 Gmelin:141556 KEGG:C19297 KEGG:D05630 beta-Propiolactone beta-propiolactone oxetan-2-one chebi_ontology 1,3-propiolactone 2-oxetanone 3-hydroxypropionic acid beta-lactone 3-propanolide beta-Propiolakton beta-lactone hydracrylic acid beta-propanoic acid lactone beta-propionolactone betapron betaprone hydracrylic acid beta-lactone propanolide propiolactona propiolactone propiolactonum CHEBI:49073 beta-propiolactone Beilstein:1360 Beilstein CAS:57-57-8 ChemIDplus CAS:57-57-8 KEGG COMPOUND CAS:57-57-8 NIST Chemistry WebBook Drug_Central:3495 DrugCentral Gmelin:141556 Gmelin beta-Propiolactone KEGG_COMPOUND beta-propiolactone NIST_Chemistry_WebBook oxetan-2-one IUPAC 1,3-propiolactone ChemIDplus 2-oxetanone ChemIDplus 3-hydroxypropionic acid beta-lactone NIST_Chemistry_WebBook 3-propanolide ChemIDplus beta-Propiolakton NIST_Chemistry_WebBook beta-lactone hydracrylic acid NIST_Chemistry_WebBook beta-propanoic acid lactone NIST_Chemistry_WebBook beta-propionolactone NIST_Chemistry_WebBook betapron ChEBI betaprone ChEBI hydracrylic acid beta-lactone NIST_Chemistry_WebBook propanolide ChemIDplus propiolactona ChemIDplus propiolactone ChemIDplus propiolactonum ChemIDplus chebi_ontology CHEBI:49074 propan-3-olide chebi_ontology CHEBI:49095 beta-amino-acid anion chebi_ontology drug metabolites CHEBI:49103 drug metabolite drug metabolites ChEBI A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. thiamin hydrochloride http://langual.org 0 C12H17N4OS.HCl.Cl C12H18Cl2N4OS InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1 DPJRMOMPQZCRJU-UHFFFAOYSA-M 337.270 336.05784 C([N+]=1C(=C(SC1)CCO)C)C=2C(=NC(C)=NC2)N.[Cl-].Cl AGR:IND605711145 AGR:IND606057536 Beilstein:3642937 Beilstein:3851771 CAS:67-03-8 Chemspider:5967 DrugBank:DBSALT000205 FooDB:FDB008416 Gmelin:31154 Gmelin:691133 KEGG:D02094 PMID:11548854 PMID:12224421 PMID:21212548 PMID:22305197 PMID:24399744 PMID:25977858 PMID:26616989 PMID:27163892 PMID:28763984 PMID:28784494 PMID:30131156 PMID:31270735 PMID:31664290 PMID:32009117 PMID:32562525 PMID:32824791 Reaxys:17124533 http://www.langual.org/langual_thesaurus.asp?termid=B3777 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride chebi_ontology thiamin dichloride thiamin hydrochloride thiamine HCl thiamine chloride hydrochloride thiamine dichloride thiamine(2+) dichloride thiaminium chloride hydrochloride vitamin B1 hydrochloride CHEBI:49105 thiamine hydrochloride A primary ammonium ion that is the conjugate acid of thiamine(1+) resulting from the protonation of the primary amino group. +2 C12H18N4OS InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1/p+1 JZRWCGZRTZMZEH-UHFFFAOYSA-O 266.36368 266.11904 Cc1ncc(C[n+]2csc(CCO)c2C)c([NH3+])n1 Beilstein:3627364 Chemspider:2620140 Gmelin:677220 3-[(4-ammonio-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chebi_ontology thiamine dication CHEBI:49107 thiamine(2+) Beilstein:3627364 Beilstein Gmelin:677220 Gmelin 3-[(4-ammonio-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium IUPAC 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium IUPAC thiamine dication ChEBI 0 C29H32O13 InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 VJJPUSNTGOMMGY-MRVIYFEKSA-N 588.55660 588.18429 [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O[C@@H]1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](O)[C@H]1O CAS:33419-42-0 DrugBank:DB00773 Drug_Central:1112 KEGG:C01576 KEGG:D00125 LINCS:LSM-6348 Patent:US3524844 Wikipedia:Etoposide (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside Etoposide chebi_ontology (-)-etoposide 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside) 4-demethylepipodophyllotoxin beta-D-ethylideneglucoside 9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one Eposin Etopophos Etoposido Lastet Toposar VP-16 Vepesid etoposide etoposidum trans-Etoposide CHEBI:4911 etoposide CAS:33419-42-0 ChemIDplus CAS:33419-42-0 KEGG COMPOUND Drug_Central:1112 DrugCentral (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside IUPAC Etoposide KEGG_COMPOUND (-)-etoposide DrugBank 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside) ChemIDplus 4-demethylepipodophyllotoxin beta-D-ethylideneglucoside ChemIDplus 9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one ChemIDplus Eposin DrugBank Etopophos DrugBank Etoposido ChemIDplus Lastet DrugBank Toposar DrugBank VP-16 KEGG_COMPOUND Vepesid DrugBank etoposide ChemIDplus etoposidum ChemIDplus trans-Etoposide DrugBank A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system. chebi_ontology peripheral nervous system agent peripheral nervous system drugs CHEBI:49110 peripheral nervous system drug peripheral nervous system agent ChEBI peripheral nervous system drugs ChEBI A drug used to treat asthma. chebi_ontology anti-asthmatic agent anti-asthmatic agents anti-asthmatic drugs CHEBI:49167 anti-asthmatic drug anti-asthmatic agent ChEBI anti-asthmatic agents ChEBI anti-asthmatic drugs ChEBI A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. 0 C9H11NO4 InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) WTDRDQBEARUVNC-UHFFFAOYSA-N 197.18798 197.06881 NC(Cc1ccc(O)c(O)c1)C(O)=O Beilstein:1462084 CAS:63-84-3 Gmelin:51382 HMDB:HMDB0000609 PMID:24117106 Reaxys:1462084 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid dopa chebi_ontology (+-)-3-(3,4-dihydroxyphenyl)alanine (+-)-dopa (R,S)-dopa 3',4'-dihydroxyphenylalanine 3-hydroxy-DL-tyrosine 3-hydroxytyrosine DL-3,4-dopa DL-beta-(3,4-dihydroxyphenyl)alanine DL-dihydroxyphenylalanine DL-dioxyphenylalanine beta-(3,4-dihydroxyphenyl)-DL-alpha-alanine dl-beta-(3,4-dihydroxyphenyl)-alpha-alanine CHEBI:49168 dopa Beilstein:1462084 Beilstein CAS:63-84-3 ChemIDplus CAS:63-84-3 NIST Chemistry WebBook Gmelin:51382 Gmelin PMID:24117106 Europe PMC Reaxys:1462084 Reaxys 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC dopa IUPAC (+-)-3-(3,4-dihydroxyphenyl)alanine ChemIDplus (+-)-dopa ChemIDplus (R,S)-dopa ChemIDplus 3',4'-dihydroxyphenylalanine NIST_Chemistry_WebBook 3-hydroxy-DL-tyrosine ChemIDplus 3-hydroxytyrosine IUPAC DL-3,4-dopa ChemIDplus DL-beta-(3,4-dihydroxyphenyl)alanine NIST_Chemistry_WebBook DL-dihydroxyphenylalanine ChemIDplus DL-dioxyphenylalanine ChemIDplus beta-(3,4-dihydroxyphenyl)-DL-alpha-alanine NIST_Chemistry_WebBook dl-beta-(3,4-dihydroxyphenyl)-alpha-alanine NIST_Chemistry_WebBook The D-enantiomer of dopa. 0 C9H11NO4 InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1 WTDRDQBEARUVNC-ZCFIWIBFSA-N 197.18798 197.06881 N[C@H](Cc1ccc(O)c(O)c1)C(O)=O Beilstein:2417637 CAS:5796-17-8 Gmelin:1862048 PMID:21210766 PMID:22454242 PMID:24190293 PMID:3129126 Reaxys:2417637 Wikipedia:D-DOPA (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid D-dopa chebi_ontology (+)-3,4-dihydroxyphenylalanine (+)-3-(3,4-dihydroxyphenyl)alanine 3,4-dihydroxy-D-phenylalanine 3-hydroxy-D-tyrosine D-3,4-dihydroxyphenylalanine D-3-(3,4-dihydroxyphenyl)alanine dopa D-form CHEBI:49169 D-dopa Beilstein:2417637 Beilstein CAS:5796-17-8 ChemIDplus Gmelin:1862048 Gmelin PMID:21210766 Europe PMC PMID:22454242 Europe PMC PMID:24190293 Europe PMC PMID:3129126 Europe PMC Reaxys:2417637 Reaxys (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC D-dopa IUPAC (+)-3,4-dihydroxyphenylalanine ChemIDplus (+)-3-(3,4-dihydroxyphenyl)alanine ChemIDplus 3,4-dihydroxy-D-phenylalanine ChemIDplus 3-hydroxy-D-tyrosine ChemIDplus D-3,4-dihydroxyphenylalanine ChemIDplus D-3-(3,4-dihydroxyphenyl)alanine ChemIDplus dopa D-form ChemIDplus A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis. 0 C10H12O2 InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 RRAFCDWBNXTKKO-UHFFFAOYSA-N 164.204 164.08373 COC1=CC(CC=C)=CC=C1O BPDB:2008 Beilstein:1366759 CAS:97-53-0 Chemspider:13876103 Drug_Central:4648 FooDB:FDB012171 HMDB:HMDB0005809 KEGG:C10453 KEGG:D04117 KNApSAcK:C00000619 LINCS:LSM-2720 MetaCyc:CPD-6481 PDBeChem:EOL PMID:11033063 PMID:11806158 PMID:14745850 PMID:15574415 PMID:18218839 PMID:20809147 PMID:22075131 PMID:22923067 PMID:23181601 PMID:23261812 PMID:23264268 PMID:2329164 PMID:23313798 PMID:23325490 PMID:23422484 PMID:23422489 PMID:23444040 PMID:23594212 PMID:23666640 PMID:23677922 PMID:23707945 PMID:23768603 PMID:23768604 PMID:23791894 PMID:23837051 PMID:23841789 PMID:23852671 PMID:28044068 PMID:29079364 PMID:32737935 PMID:33291666 PMID:33916044 PMID:8596779 PMID:9084914 Reaxys:1366759 Wikipedia:Eugenol 2-methoxy-4-(prop-2-en-1-yl)phenol Eugenol eugenol chebi_ontology 1,3,4-Eugenol 1-Hydroxy-2-methoxy-4-allylbenzene 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene 1-Hydroxy-2-methoxy-4-propenylbenzene 1-allyl-3-methoxy-4-hydroxybenzene 1-allyl-4-hydroxy-3-methoxybenzene 2-Hydroxy-5-allylanisole 2-Methoxy-1-hydroxy-4-allylbenzene 2-Methoxy-4-(2-propen-1-yl)phenol 2-Methoxy-4-(2-propenyl)phenol 2-Methoxy-4-allylphenol 2-Methoxy-4-prop-2-enylphenol 2-methoxy-4-(2-propen-1-yl)phenol 2-methoxy-4-prop-2-enyl-phenol 4-Allyl-1-hydroxy-2-methoxybenzene 4-Allyl-2-methoxyphenol 4-Allylcatechol-2-methyl ether 4-Allylguaiacol 4-Hydroxy-3-methoxy-1-allylbenzene 4-allyl-2-methoxyphenol Allylguaiacol Caryophyllic acid Eugenic acid p-Allylguaiacol p-Eugenol CHEBI:4917 eugenol Beilstein:1366759 Beilstein CAS:97-53-0 ChemIDplus CAS:97-53-0 NIST Chemistry WebBook Drug_Central:4648 DrugCentral PMID:11033063 Europe PMC PMID:11806158 Europe PMC PMID:14745850 Europe PMC PMID:15574415 Europe PMC PMID:18218839 Europe PMC PMID:20809147 Europe PMC PMID:22075131 Europe PMC PMID:22923067 Europe PMC PMID:23181601 Europe PMC PMID:23261812 Europe PMC PMID:23264268 Europe PMC PMID:2329164 Europe PMC PMID:23313798 Europe PMC PMID:23325490 Europe PMC PMID:23422484 Europe PMC PMID:23422489 Europe PMC PMID:23444040 Europe PMC PMID:23594212 Europe PMC PMID:23666640 Europe PMC PMID:23677922 Europe PMC PMID:23707945 Europe PMC PMID:23768603 Europe PMC PMID:23768604 Europe PMC PMID:23791894 Europe PMC PMID:23837051 Europe PMC PMID:23841789 Europe PMC PMID:23852671 Europe PMC PMID:28044068 Europe PMC PMID:29079364 Europe PMC PMID:32737935 Europe PMC PMID:33291666 Europe PMC PMID:33916044 Europe PMC PMID:8596779 Europe PMC PMID:9084914 Europe PMC Reaxys:1366759 Reaxys 2-methoxy-4-(prop-2-en-1-yl)phenol IUPAC Eugenol KEGG_COMPOUND eugenol UniProt 1,3,4-Eugenol NIST_Chemistry_WebBook 1-Hydroxy-2-methoxy-4-allylbenzene ChemIDplus 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene ChemIDplus 1-Hydroxy-2-methoxy-4-propenylbenzene ChemIDplus 1-allyl-3-methoxy-4-hydroxybenzene ChEBI 1-allyl-4-hydroxy-3-methoxybenzene ChEBI 2-Hydroxy-5-allylanisole NIST_Chemistry_WebBook 2-Methoxy-1-hydroxy-4-allylbenzene ChemIDplus 2-Methoxy-4-(2-propen-1-yl)phenol ChemIDplus 2-Methoxy-4-(2-propenyl)phenol HMDB 2-Methoxy-4-allylphenol ChemIDplus 2-Methoxy-4-prop-2-enylphenol ChemIDplus 2-methoxy-4-(2-propen-1-yl)phenol ChEBI 2-methoxy-4-prop-2-enyl-phenol PDBeChem 4-Allyl-1-hydroxy-2-methoxybenzene ChemIDplus 4-Allyl-2-methoxyphenol HMDB 4-Allylcatechol-2-methyl ether NIST_Chemistry_WebBook 4-Allylguaiacol ChemIDplus 4-Hydroxy-3-methoxy-1-allylbenzene ChemIDplus 4-allyl-2-methoxyphenol IUPAC Allylguaiacol ChemIDplus Caryophyllic acid ChemIDplus Eugenic acid ChemIDplus p-Allylguaiacol ChemIDplus p-Eugenol ChemIDplus 0 C11H14O2 InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 ZYEMGPIYFIJGTP-UHFFFAOYSA-N 178.22766 178.09938 COc1ccc(CC=C)cc1OC BPDB:2504 CAS:93-15-2 KEGG:C10454 KNApSAcK:C00002741 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene O-Methyleugenol chebi_ontology 1,2-Dimethoxy-4-(2-propenyl)benzene Eugenol methyl ether Methyl eugenol Methyleugenol CHEBI:4918 O-methyleugenol CAS:93-15-2 ChemIDplus CAS:93-15-2 KEGG COMPOUND 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene IUPAC O-Methyleugenol KEGG_COMPOUND 1,2-Dimethoxy-4-(2-propenyl)benzene ChemIDplus Eugenol methyl ether KEGG_COMPOUND Methyl eugenol ChemIDplus Methyleugenol ChemIDplus 0 C3H5OR 57.07120 57.03404 [H]C(=O)C(C)[*] 2-methyl-branched fatty aldehyde chebi_ontology 2-methyl-branched fatty aldehydes a 2-methyl-branched fatty aldehyde alpha-methyl fatty aldehyde alpha-methyl fatty aldehydes CHEBI:49188 2-methyl-branched fatty aldehyde 2-methyl-branched fatty aldehyde ChEBI 2-methyl-branched fatty aldehydes ChEBI a 2-methyl-branched fatty aldehyde UniProt alpha-methyl fatty aldehyde ChEBI alpha-methyl fatty aldehydes ChEBI An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H(+)/K(+)-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors. Wikipedia:Proton_pump_inhibitor chebi_ontology (K(+) + H(+))-ATPase inhibitor (K(+) + H(+))-ATPase inhibitors ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitor ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitors EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitors EC 3.6.3.10 inhibitor EC 3.6.3.10 inhibitors H(+)-K(+)-ATPase inhibitor H(+)-K(+)-ATPase inhibitors H(+)/K(+)-ATPase inhibitor H(+)/K(+)-ATPase inhibitors H(+)/K(+)-exchanging ATPase inhibitor H(+)/K(+)-exchanging ATPase inhibitors H,K-ATPase inhibitor H,K-ATPase inhibitors proton pump inhibitor proton pump inhibitors CHEBI:49200 EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor (K(+) + H(+))-ATPase inhibitor ChEBI (K(+) + H(+))-ATPase inhibitors ChEBI ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitor ChEBI ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitors ChEBI EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitors ChEBI EC 3.6.3.10 inhibitor ChEBI EC 3.6.3.10 inhibitors ChEBI H(+)-K(+)-ATPase inhibitor ChEBI H(+)-K(+)-ATPase inhibitors ChEBI H(+)/K(+)-ATPase inhibitor ChEBI H(+)/K(+)-ATPase inhibitors ChEBI H(+)/K(+)-exchanging ATPase inhibitor ChEBI H(+)/K(+)-exchanging ATPase inhibitors ChEBI H,K-ATPase inhibitor ChEBI H,K-ATPase inhibitors ChEBI proton pump inhibitor ChEBI proton pump inhibitors ChEBI One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. chebi_ontology anti-ulcer agent anti-ulcer agents anti-ulcer drugs CHEBI:49201 anti-ulcer drug anti-ulcer agent ChEBI anti-ulcer agents ChEBI anti-ulcer drugs ChEBI chebi_ontology CHEBI:49202 elemental platinum Any inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis). Wikipedia:CETP_inhibitor chebi_ontology CETP inhibitors cholesteryl ester transfer protein inhibitor CHEBI:49205 CETP inhibitor CETP inhibitors ChEBI cholesteryl ester transfer protein inhibitor ChEBI CHEBI:19626 CHEBI:35967 chebi_ontology 2-hydroxy acid 2-hydroxy monocarboxylic acids CHEBI:49302 2-hydroxy monocarboxylic acid 2-hydroxy acid ChEBI 2-hydroxy monocarboxylic acids ChEBI chebi_ontology CHEBI:49318 piperidine antibiotic chebi_ontology CHEBI:49319 carbocyclic antibiotic An organic compound that has a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine and which exhibits antibiotic activity. CHEBI:22573 CHEBI:22574 chebi_ontology anthracycline antibiotics anthracyclines CHEBI:49322 anthracycline antibiotic anthracycline antibiotics ChEBI anthracyclines ChEBI A chemical substance that prevents or reduces the probability of conception. chebi_ontology contraceptive agent contraceptive drugs CHEBI:49323 contraceptive drug contraceptive agent ChEBI contraceptive drugs ChEBI A chemical substance or agent with contraceptive activity in females. chebi_ontology female contraceptive agent female contraceptive drugs CHEBI:49324 female contraceptive drug female contraceptive agent ChEBI female contraceptive drugs ChEBI A compound, usually hormonal, taken orally in order to block ovulation and prevent the occurrence of pregnancy. chebi_ontology oral contraceptives CHEBI:49325 oral contraceptive oral contraceptives ChEBI 0 BrHO3 InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4) SXDBWCPKPHAZSM-UHFFFAOYSA-N 128.91014 127.91091 [H]OBr(=O)=O CHEBI:22924 CHEBI:49377 CAS:7789-31-3 Chemspider:22853 Gmelin:25861 PDBeChem:202 PMID:18568897 PMID:24090308 PMID:26699274 Wikipedia:Bromic_acid bromic acid hydroxidodioxidobromine chebi_ontology Bromsaeure HBrO3 [BrO2(OH)] acide bromique acido bromico acidum bromicum CHEBI:49382 bromic acid CAS:7789-31-3 ChemIDplus Gmelin:25861 Gmelin PMID:18568897 Europe PMC PMID:24090308 Europe PMC PMID:26699274 Europe PMC bromic acid IUPAC bromic acid PDBeChem hydroxidodioxidobromine IUPAC Bromsaeure ChEBI HBrO3 IUPAC [BrO2(OH)] IUPAC acide bromique ChEBI acido bromico ChEBI acidum bromicum ChEBI +3 Au InChI=1S/Au/q+3 CBMIPXHVOVTTTL-UHFFFAOYSA-N 196.96655 196.96492 [Au+3] CHEBI:30026 CHEBI:49495 CAS:16065-91-1 Gmelin:15991 PDBeChem:AU3 gold(3+) gold(3+) ion gold(III) cation chebi_ontology Au(3+) GOLD 3+ ION gold(3+), ion CHEBI:49496 gold(3+) CAS:16065-91-1 ChemIDplus Gmelin:15991 Gmelin gold(3+) IUPAC gold(3+) ion IUPAC gold(III) cation IUPAC Au(3+) IUPAC GOLD 3+ ION PDBeChem gold(3+), ion ChemIDplus A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer. 0 C20H24O2 InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 BFYIZQONLCFLEV-DAELLWKTSA-N 296.40340 296.17763 [H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CAS:107868-30-4 DrugBank:DB00990 Drug_Central:1122 KEGG:C08162 KEGG:D00963 PMID:10882163 Reaxys:6609645 Wikipedia:Exemestane 6-methylideneandrosta-1,4-diene-3,17-dione Exemestane chebi_ontology 6-methyleneandrosta-1,4-diene-3,17-dione exemestane exemestano exemestanum CHEBI:4953 exemestane CAS:107868-30-4 ChemIDplus CAS:107868-30-4 KEGG COMPOUND Drug_Central:1122 DrugCentral PMID:10882163 Europe PMC Reaxys:6609645 Reaxys 6-methylideneandrosta-1,4-diene-3,17-dione IUPAC Exemestane KEGG_COMPOUND 6-methyleneandrosta-1,4-diene-3,17-dione ChemIDplus exemestane ChemIDplus exemestano ChemIDplus exemestanum ChemIDplus A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. 0 C16H13ClN2O InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 AAOVKJBEBIDNHE-UHFFFAOYSA-N 284.74000 284.07164 CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12 CHEBI:4494 CHEBI:49574 Beilstein:754371 CAS:439-14-5 DrugBank:DB00829 Drug_Central:852 Gmelin:124061 HMDB:HMDB0014967 KEGG:C06948 KEGG:D00293 LINCS:LSM-2359 PDBeChem:DZP PMID:11925051 PMID:16365514 PMID:16780966 Reaxys:754371 VSDB:2972 Wikipedia:Diazepam 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one Diazepam chebi_ontology 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Valium methyl diazepinone CHEBI:49575 diazepam Beilstein:754371 Beilstein CAS:439-14-5 ChemIDplus CAS:439-14-5 KEGG COMPOUND CAS:439-14-5 NIST Chemistry WebBook Drug_Central:852 DrugCentral Gmelin:124061 Gmelin PMID:11925051 Europe PMC PMID:16365514 Europe PMC PMID:16780966 Europe PMC Reaxys:754371 Reaxys 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one IUPAC Diazepam KEGG_COMPOUND 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one NIST_Chemistry_WebBook Valium ChemIDplus methyl diazepinone ChemIDplus 0 C29H26ClFN4O4S InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N 581.05840 580.13473 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 CHEBI:38636 CHEBI:49602 Beilstein:10502247 CAS:231277-92-2 DrugBank:DB01259 Drug_Central:1548 LINCS:LSM-1051 PDBeChem:FMM Wikipedia:Lapatinib N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine chebi_ontology GW 572016 N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE Tykerb CHEBI:49603 lapatinib Beilstein:10502247 Beilstein CAS:231277-92-2 ChemIDplus Drug_Central:1548 DrugCentral N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine IUPAC GW 572016 ChemIDplus N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine ChemIDplus N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE PDBeChem Tykerb ChemIDplus 0 H InChI=1S/H YZCKVEUIGOORGS-UHFFFAOYSA-N 1.00794 1.00783 [H] CHEBI:24634 CHEBI:49636 WebElements:H hydrogen chebi_ontology 1H H Wasserstoff hidrogeno hydrogen hydrogene CHEBI:49637 hydrogen atom hydrogen IUPAC 1H IUPAC H IUPAC Wasserstoff ChEBI hidrogeno ChEBI hydrogen ChEBI hydrogene ChEBI A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. 0 C19H16ClNO4 InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) CGIGDMFJXJATDK-UHFFFAOYSA-N 357.78800 357.07679 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 CHEBI:49660 CHEBI:5918 Beilstein:497341 CAS:53-86-1 DrugBank:DB00328 Drug_Central:1440 Gmelin:1446006 HMDB:HMDB0014473 KEGG:C01926 KEGG:D00141 KNApSAcK:C00030512 LINCS:LSM-3275 MetaCyc:CPD-10545 PDBeChem:IMN PMID:22931205 PMID:23992308 PMID:28166217 PMID:5952296 PMID:6039425 Patent:BE379378 Patent:US3161654 Reaxys:497341 Wikipedia:Indometacin [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid chebi_ontology 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid Aconip Indocin Indomethacin indometacin indometacina indometacine indometacinum {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid CHEBI:49662 indometacin Beilstein:497341 Beilstein CAS:53-86-1 ChemIDplus CAS:53-86-1 KEGG COMPOUND CAS:53-86-1 NIST Chemistry WebBook Drug_Central:1440 DrugCentral Gmelin:1446006 Gmelin PMID:22931205 Europe PMC PMID:23992308 Europe PMC PMID:28166217 Europe PMC PMID:5952296 Europe PMC PMID:6039425 Europe PMC Reaxys:497341 Reaxys [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid IUPAC 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid ChemIDplus Aconip KEGG_DRUG Indocin ChemIDplus Indocin KEGG_DRUG Indomethacin KEGG_COMPOUND indometacin ChemIDplus indometacina ChemIDplus indometacine ChemIDplus indometacinum ChemIDplus {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid PDBeChem A macrolide consisting of a 14-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica. 0 C20H29NO5S InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1 NSHPHXHGRHSMIK-JRIKCGFMSA-N 395.51300 395.17664 [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1 CAS:76343-94-7 PDBeChem:LAB PMID:14613176 PMID:16499319 PMID:18342638 PMID:21831923 PMID:22138731 PMID:22175603 PMID:22247475 PMID:23341780 PMID:23483897 PMID:23541521 PMID:23727052 PMID:23935614 Reaxys:5456050 (4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one LATRUNCULIN B chebi_ontology (+)-latrunculin B LAT-B Lat B CHEBI:49703 latrunculin B CAS:76343-94-7 ChemIDplus PMID:14613176 Europe PMC PMID:16499319 Europe PMC PMID:18342638 Europe PMC PMID:21831923 Europe PMC PMID:22138731 Europe PMC PMID:22175603 Europe PMC PMID:22247475 Europe PMC PMID:23341780 Europe PMC PMID:23483897 Europe PMC PMID:23541521 Europe PMC PMID:23727052 Europe PMC PMID:23935614 Europe PMC Reaxys:5456050 Reaxys (4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one IUPAC LATRUNCULIN B PDBeChem (+)-latrunculin B ChEBI LAT-B ChemIDplus Lat B ChEBI A monovalent inorganic anion obtained by deprotonation of perchloric acid. -1 ClO4 InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1 VLTRZXGMWDSKGL-UHFFFAOYSA-M 99.45030 98.94906 [O-]Cl(=O)(=O)=O CHEBI:29220 CHEBI:49705 CAS:14797-73-0 DrugBank:DB03138 Gmelin:2136 MolBase:1883 PDBeChem:LCP perchlorate tetraoxidochlorate(1-) chebi_ontology Chlorat(VII) ClO4(-) PERCHLORATE ION Perchlorat [ClO4](-) tetraoxochlorate tetraoxochlorate(1-) tetraoxochlorate(VII) CHEBI:49706 perchlorate CAS:14797-73-0 ChemIDplus CAS:14797-73-0 NIST Chemistry WebBook Gmelin:2136 Gmelin perchlorate IUPAC tetraoxidochlorate(1-) IUPAC Chlorat(VII) ChEBI ClO4(-) IUPAC PERCHLORATE ION PDBeChem Perchlorat ChEBI [ClO4](-) MolBase tetraoxochlorate UniProt tetraoxochlorate(1-) IUPAC tetraoxochlorate(VII) IUPAC A monovalent inorganic anion obtained by deprotonation of chloric acid. -1 ClO3 InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1 XTEGARKTQYYJKE-UHFFFAOYSA-M 83.45090 82.95415 [O-]Cl(=O)=O CHEBI:13967 CHEBI:49708 CAS:14866-68-3 Gmelin:1491 PDBeChem:LCO chlorate trioxidochlorate(1-) chebi_ontology CHLORATE ION ClO3(-) [ClO3](-) CHEBI:49709 chlorate CAS:14866-68-3 ChemIDplus Gmelin:1491 Gmelin chlorate IUPAC chlorate UniProt trioxidochlorate(1-) IUPAC CHLORATE ION PDBeChem ClO3(-) IUPAC [ClO3](-) ChEBI +1 Li InChI=1S/Li/q+1 HBBGRARXTFLTSG-UHFFFAOYSA-N 6.94100 7.01545 [Li+] CHEBI:30143 CHEBI:49711 CAS:17341-24-1 DrugBank:DB01356 Gmelin:15205 PDBeChem:LI lithium(1+) lithium(1+) ion lithium(I) cation chebi_ontology LITHIUM ION Li(+) Lithium, ion (Li1+) lithium cation lithium, ion CHEBI:49713 lithium(1+) lithium(1+) CAS:17341-24-1 ChemIDplus CAS:17341-24-1 NIST Chemistry WebBook Gmelin:15205 Gmelin lithium(1+) IUPAC lithium(1+) ion IUPAC lithium(I) cation IUPAC LITHIUM ION PDBeChem Li(+) IUPAC Li(+) UniProt Lithium, ion (Li1+) ChemIDplus lithium cation NIST_Chemistry_WebBook lithium, ion NIST_Chemistry_WebBook +1 CH3Hg InChI=1S/CH3.Hg/h1H3;/q;+1 DBUXSCUEGJMZAE-UHFFFAOYSA-N 215.62452 216.99357 C[Hg+] CHEBI:30784 CHEBI:49745 Beilstein:3902999 CAS:22967-92-6 DrugBank:DB03674 Gmelin:1406 KEGG:C18672 PDBeChem:MMC methylmercury(1+) chebi_ontology CH3Hg(+) CH3Hg+ METHYL MERCURY ION Methylmercury II Methylmercury ion [HgCH3](+) [HgMe](+) methylmercury ion(1+) methylmercury(II) methylmercury(II) cation monomethylmercury cation CHEBI:49747 methylmercury(1+) Beilstein:3902999 Beilstein CAS:22967-92-6 ChemIDplus Gmelin:1406 Gmelin methylmercury(1+) IUPAC CH3Hg(+) IUPAC CH3Hg+ KEGG_COMPOUND METHYL MERCURY ION PDBeChem Methylmercury II ChemIDplus Methylmercury ion KEGG_COMPOUND [HgCH3](+) IUPAC [HgMe](+) IUPAC methylmercury ion(1+) ChemIDplus methylmercury(II) IUPAC methylmercury(II) cation ChemIDplus monomethylmercury cation ChemIDplus A cysteine derivative that is the S-(2-aminoethyl) analogue of L-cysteine; reported to have cytotoxic effects. 0 C5H12N2O2S InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 GHSJKUNUIHUPDF-BYPYZUCNSA-N 164.22600 164.06195 NCCSC[C@H](N)C(O)=O CHEBI:45515 Beilstein:1705488 CAS:2936-69-8 Gmelin:1006349 HMDB:HMDB0033518 PMID:11370852 PMID:17165731 PMID:17524640 PMID:19634897 PMID:19685884 PMID:7654708 Reaxys:1705488 Wikipedia:S-Aminoethyl-L-cysteine S-(2-aminoethyl)-L-cysteine chebi_ontology (2R)-2-amino-3-(2-aminoethylsulfanyl)propanoic acid (R)-2-amino-3-(2-aminoethylthio)propanoic acid 2-Aminoethylcysteine 4-Thia-L-lysine 4-Thialysine Aminoethylcysteine S-2-Aminoethyl cysteine S-beta-Aminoethyl cysteine Thiosine gamma-Thia-lys gamma-Thialysine CHEBI:497734 L-thialysine Beilstein:1705488 Beilstein CAS:2936-69-8 ChemIDplus Gmelin:1006349 Gmelin PMID:11370852 Europe PMC PMID:17165731 Europe PMC PMID:17524640 ChEMBL PMID:19634897 Europe PMC PMID:19685884 Europe PMC PMID:7654708 Europe PMC Reaxys:1705488 Reaxys S-(2-aminoethyl)-L-cysteine IUPAC (2R)-2-amino-3-(2-aminoethylsulfanyl)propanoic acid PDB (R)-2-amino-3-(2-aminoethylthio)propanoic acid ChEMBL 2-Aminoethylcysteine HMDB 4-Thia-L-lysine HMDB 4-Thialysine HMDB Aminoethylcysteine ChemIDplus S-2-Aminoethyl cysteine ChemIDplus S-beta-Aminoethyl cysteine ChemIDplus Thiosine ChemIDplus gamma-Thia-lys ChemIDplus gamma-Thialysine ChemIDplus A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with methanol. 0 C2H3O2R 59.044 59.01330 COC([*])=O CHEBI:13635 CHEBI:24023 KEGG:C03395 MetaCyc:Fatty-acid-methyl-esters Wikipedia:Fatty_acid_methyl_ester Fatty acid methyl ester chebi_ontology FAME a fatty acid methyl ester fatty acid methyl esters CHEBI:4986 fatty acid methyl ester Fatty acid methyl ester KEGG_COMPOUND FAME ChEBI a fatty acid methyl ester UniProt fatty acid methyl esters ChEBI An arsenic oxoacid consisting of three hydroxy groups attached to a central arsenic atom. 0 AsH3O3 InChI=1S/AsH3O3/c2-1(3)4/h2-4H GCPXMJHSNVMWNM-UHFFFAOYSA-N 125.94362 125.92981 O[As](O)O CHEBI:22635 CHEBI:49899 CAS:1327-53-3 CAS:13464-58-9 DrugBank:DB04456 Gmelin:1397624 KEGG:C06697 KEGG:C13619 KEGG:D02106 PDBeChem:TAS UM-BBD_compID:c0532 arsenous acid trihydrogen trioxoarsenate(3-) trihydroxidoarsenic trioxoarsenic acid chebi_ontology Arsenic trioxide As(OH)3 H3AsO3 TRIHYDROXYARSENITE(III) [As(OH)3] arsorous acid CHEBI:49900 arsenous acid CAS:1327-53-3 KEGG COMPOUND CAS:13464-58-9 ChemIDplus Gmelin:1397624 Gmelin UM-BBD_compID:c0532 UM-BBD arsenous acid ChEBI arsenous acid IUPAC trihydrogen trioxoarsenate(3-) IUPAC trihydroxidoarsenic IUPAC trioxoarsenic acid IUPAC Arsenic trioxide KEGG_COMPOUND As(OH)3 IUPAC H3AsO3 IUPAC TRIHYDROXYARSENITE(III) PDBeChem [As(OH)3] IUPAC arsorous acid IUPAC zinc dichloride A racemate comprising equimolar amounts of (R)- and (S)-fenarimol. A sterol demethylation inhibitor, it is used as a fungicide for the treatment of blackspot, mildew and rust in tomatoes, peppers and melons, but is not approved for use within the European Union. 0 C17H12Cl2N2O 331.19600 330.03267 CAS:60168-88-9 HMDB:HMDB0040599 KEGG:C11226 PMID:12146625 PMID:14700530 PMID:15866470 PMID:18372651 PMID:22955670 PMID:23664474 PMID:8637508 Patent:US3818009 Patent:US3869456 Patent:US3887708 Pesticides:fenarimol Reaxys:5972869 Wikipedia:Fenarimol fenarimol rac-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol chebi_ontology (+-)-2,4'-dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol (+-)-fenarimol (2-chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol (RS)-2,4'-dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol 2,4'-dichloro-alpha(pyrimidin-5-yl)benzhydryl alcohol EL 222 Rimidin Rubigan alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol rac-(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol rac-fenarimol CHEBI:4998 fenarimol CAS:60168-88-9 Alan Wood's Pesticides CAS:60168-88-9 ChemIDplus CAS:60168-88-9 KEGG COMPOUND CAS:60168-88-9 NIST Chemistry WebBook PMID:12146625 Europe PMC PMID:14700530 Europe PMC PMID:15866470 Europe PMC PMID:18372651 Europe PMC PMID:22955670 Europe PMC PMID:23664474 Europe PMC PMID:8637508 Europe PMC Pesticides:fenarimol Alan Wood's Pesticides Reaxys:5972869 Reaxys fenarimol ChEBI rac-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol IUPAC (+-)-2,4'-dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol ChemIDplus (+-)-fenarimol HMDB (2-chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol NIST_Chemistry_WebBook (RS)-2,4'-dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol Alan_Wood's_Pesticides 2,4'-dichloro-alpha(pyrimidin-5-yl)benzhydryl alcohol NIST_Chemistry_WebBook EL 222 NIST_Chemistry_WebBook Rimidin NIST_Chemistry_WebBook Rubigan NIST_Chemistry_WebBook alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol Alan_Wood's_Pesticides rac-(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol Alan_Wood's_Pesticides rac-fenarimol ChEBI A chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring. 0 C20H21ClO4 InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 YMTINGFKWWXKFG-UHFFFAOYSA-N 360.83100 360.11284 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 CAS:49562-28-9 Chemspider:3222 DrugBank:DB01039 Drug_Central:1152 HMDB:HMDB0015173 KEGG:C07586 KEGG:D00565 LINCS:LSM-3107 PMID:17449930 PMID:18212815 PMID:23603800 PMID:32675219 PMID:33704429 PMID:34244236 PMID:34515330 Patent:DE2250327 Patent:US4058552 Reaxys:2062462 Wikipedia:Fenofibrate Fenofibrate propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate chebi_ontology 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester Antara FNF Finofibrate Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate Lipantil Lipofen Procetofen Tricor Triglide CHEBI:5001 fenofibrate CAS:49562-28-9 ChemIDplus CAS:49562-28-9 NIST Chemistry WebBook Drug_Central:1152 DrugCentral PMID:17449930 Europe PMC PMID:18212815 Europe PMC PMID:23603800 Europe PMC PMID:32675219 Europe PMC PMID:33704429 Europe PMC PMID:34244236 Europe PMC PMID:34515330 Europe PMC Reaxys:2062462 Reaxys Fenofibrate KEGG_COMPOUND propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate IUPAC 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester ChemIDplus Antara DrugBank FNF DrugBank Finofibrate DrugBank Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate ChemIDplus Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate ChemIDplus Lipantil KEGG_DRUG Lipofen KEGG_DRUG Procetofen ChemIDplus Tricor KEGG_DRUG Triglide KEGG_DRUG An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. 0 C10H16 InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 WTARULDDTDQWMU-UHFFFAOYSA-N 136.23404 136.12520 CC1(C)C2CCC(=C)C1C2 CHEBI:10438 CHEBI:22853 CAS:127-91-3 HMDB:HMDB0036560 KEGG:C09882 KNApSAcK:C00000816 LIPID_MAPS_instance:LMPR0102120018 MetaCyc:CPD-3221 PMID:23472478 PMID:23513734 PMID:23738469 PMID:24555296 Reaxys:1362266 Wikipedia:Beta-pinene 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane beta-Pinene beta-pinene pin-2(10)-ene chebi_ontology 2(10)-pinene 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane nopinene pseudopinene CHEBI:50025 beta-pinene CAS:127-91-3 ChemIDplus CAS:127-91-3 KEGG COMPOUND CAS:127-91-3 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0102120018 LIPID MAPS PMID:23472478 Europe PMC PMID:23513734 Europe PMC PMID:23738469 Europe PMC PMID:24555296 Europe PMC Reaxys:1362266 Reaxys 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane IUPAC beta-Pinene KEGG_COMPOUND beta-pinene UniProt pin-2(10)-ene IUPAC 2(10)-pinene ChemIDplus 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane NIST_Chemistry_WebBook nopinene NIST_Chemistry_WebBook pseudopinene NIST_Chemistry_WebBook A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups. chebi_ontology organic amino compounds CHEBI:50047 organic amino compound organic amino compounds ChEBI dihydropyridine chebi_ontology dihydropyridines CHEBI:50075 dihydropyridine dihydropyridine ChEBI dihydropyridines ChEBI 0 C18H16ClNO5 InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3 PQKBPHSEKWERTG-UHFFFAOYSA-N 361.777 361.07170 CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 CAS:66441-23-4 KEGG:C11024 PPDB:302 Fenoxaprop ethyl chebi_ontology CHEBI:5008 Fenoxaprop ethyl CAS:66441-23-4 KEGG COMPOUND Fenoxaprop ethyl KEGG_COMPOUND oxygen halide chebi_ontology oxygen halides CHEBI:50081 oxygen halide oxygen halide ChEBI oxygen halides ChEBI A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine. 0 C17H19NO4 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N 301.33710 301.13141 CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1 Beilstein:6932817 CAS:72490-01-8 CAS:79127-80-3 KEGG:C11078 PMID:19898762 PMID:2098484 PMID:2904969 PPDB:304 Patent:CN103651557 Patent:US4215135 Pesticides:fenoxycarb Reaxys:6932817 Wikipedia:Fenoxycarb Fenoxycarb ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate chebi_ontology (2-(4-phenoxyphenoxy)ethyl)carbamic acid ethyl ester Insegar N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate CHEBI:5009 fenoxycarb Beilstein:6932817 Beilstein CAS:72490-01-8 ChemIDplus CAS:72490-01-8 KEGG COMPOUND CAS:79127-80-3 NIST Chemistry WebBook PMID:19898762 Europe PMC PMID:2098484 Europe PMC PMID:2904969 Europe PMC Pesticides:fenoxycarb Alan Wood's Pesticides Reaxys:6932817 Reaxys Fenoxycarb KEGG_COMPOUND ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate IUPAC (2-(4-phenoxyphenoxy)ethyl)carbamic acid ethyl ester ChemIDplus Insegar NIST_Chemistry_WebBook N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid ChemIDplus O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate ChEBI ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate ChemIDplus selenium coordination entity chebi_ontology selenium coordination compounds selenium coordination entities CHEBI:50093 selenium coordination entity selenium coordination entity ChEBI selenium coordination compounds ChEBI selenium coordination entities ChEBI sulfur coordination entity chebi_ontology sulfur coordination compounds sulfur coordination entities CHEBI:50094 sulfur coordination entity sulfur coordination entity ChEBI sulfur coordination compounds ChEBI sulfur coordination entities ChEBI sulfinyl halide chebi_ontology sulfinyl halides CHEBI:50096 sulfinyl halide sulfinyl halide ChEBI sulfinyl halides ChEBI A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. 0 C9H9ClO3 InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) WHKUVVPPKQRRBV-UHFFFAOYSA-N 200.61866 200.02402 Cc1cc(Cl)ccc1OCC(O)=O Beilstein:2051752 CAS:94-74-6 KEGG:C18528 PMID:15669026 PPDB:427 Patent:GB573479 Patent:GB573510 Patent:US274810 Pesticides:mcpa Reaxys:2051752 Wikipedia:MCPA (4-chloro-2-methylphenoxy)acetic acid chebi_ontology ((4-chloro-o-tolyl)oxy)acetic acid (2-Methyl-4-chlorophenoxy)acetic acid 2,4-MCPA 2-Methyl-4-chlorophenoxyacetic acid 2-Methyl-4-chlorphenoxyessigsaeure Agroxone MCP MCPA [(4-Chloro-o-tolyl)oxy]acetic acid CHEBI:50099 (4-chloro-2-methylphenoxy)acetic acid Beilstein:2051752 Beilstein CAS:94-74-6 ChemIDplus CAS:94-74-6 KEGG COMPOUND CAS:94-74-6 NIST Chemistry WebBook PMID:15669026 Europe PMC Pesticides:mcpa Alan Wood's Pesticides Reaxys:2051752 Reaxys (4-chloro-2-methylphenoxy)acetic acid IUPAC ((4-chloro-o-tolyl)oxy)acetic acid ChemIDplus (2-Methyl-4-chlorophenoxy)acetic acid KEGG_COMPOUND 2,4-MCPA ChemIDplus 2-Methyl-4-chlorophenoxyacetic acid ChemIDplus 2-Methyl-4-chlorphenoxyessigsaeure ChemIDplus Agroxone ChemIDplus MCP ChemIDplus MCPA ChemIDplus [(4-Chloro-o-tolyl)oxy]acetic acid NIST_Chemistry_WebBook A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups. 0 C2H5N3O2 InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6) ZRKWMRDKSOPRRS-UHFFFAOYSA-N 103.08012 103.03818 CN(N=O)C(N)=O CHEBI:25565 CHEBI:34843 CHEBI:50101 Beilstein:1756040 CAS:684-93-5 KEGG:C14595 PMID:11479921 PMID:12767522 PMID:15990165 PMID:19181008 PMID:24441676 PMID:6243984 PMID:8098217 PMID:8603364 Wikipedia:N-Methyl-N-nitrosourea 1-methyl-1-nitrosourea N-Methyl-N-nitrosourea chebi_ontology 1-(aminocarbonyl)-1-methyl-2-oxohydrazine 1-nitroso-1-methylurea MNU Methylnitrosoharnstoff Methylnitrosourea N-Methyl-N-nitrosoharnstoff N-Nitroso-N-methylharnstoff N-methyl-N-nitrosocarbamide N-methyl-N-nitrosouree N-nitroso-N-methylcarbamide N-nitroso-N-methylurea N-nitroso-N-methyluree N-nitrosomethylurea NMH NMU methylnitrosouree nitrosomethylurea CHEBI:50102 N-methyl-N-nitrosourea Beilstein:1756040 Beilstein CAS:684-93-5 ChemIDplus CAS:684-93-5 KEGG COMPOUND CAS:684-93-5 NIST Chemistry WebBook PMID:11479921 Europe PMC PMID:12767522 Europe PMC PMID:15990165 Europe PMC PMID:19181008 Europe PMC PMID:24441676 Europe PMC PMID:6243984 Europe PMC PMID:8098217 Europe PMC PMID:8603364 Europe PMC 1-methyl-1-nitrosourea IUPAC N-Methyl-N-nitrosourea KEGG_COMPOUND 1-(aminocarbonyl)-1-methyl-2-oxohydrazine NIST_Chemistry_WebBook 1-nitroso-1-methylurea ChemIDplus MNU ChemIDplus Methylnitrosoharnstoff ChEBI Methylnitrosourea KEGG_COMPOUND N-Methyl-N-nitrosoharnstoff ChEBI N-Nitroso-N-methylharnstoff ChEBI N-methyl-N-nitrosocarbamide ChemIDplus N-methyl-N-nitrosouree ChEBI N-nitroso-N-methylcarbamide NIST_Chemistry_WebBook N-nitroso-N-methylurea ChemIDplus N-nitroso-N-methyluree ChEBI N-nitrosomethylurea NIST_Chemistry_WebBook NMH ChemIDplus NMU ChemIDplus methylnitrosouree ChemIDplus nitrosomethylurea NIST_Chemistry_WebBook An agent that binds to and activates excitatory amino acid receptors. chebi_ontology excitatory amino acid agonists excitatory amino acid receptor agonist excitatory amino acid receptor agonists CHEBI:50103 excitatory amino acid agonist excitatory amino acid agonists ChEBI excitatory amino acid receptor agonist ChEBI excitatory amino acid receptor agonists ChEBI Any hormone that is responsible for controlling sexual characteristics and reproductive function. chebi_ontology Geschlechtshormon Geschlechtshormone Sexualhormon Sexualhormone hormone sexuelle hormones sexuelles sex hormones CHEBI:50112 sex hormone Geschlechtshormon ChEBI Geschlechtshormone ChEBI Sexualhormon ChEBI Sexualhormone ChEBI hormone sexuelle ChEBI hormones sexuelles ChEBI sex hormones ChEBI A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors. Androgen chebi_ontology Androgene androgene androgenes androgeno androgenos androgens CHEBI:50113 androgen Androgen ChEBI Androgene ChEBI androgene ChEBI androgenes ChEBI androgeno ChEBI androgenos ChEBI androgens ChEBI A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. Wikipedia:Estrogen chebi_ontology Estrogene Oestrogen Oestrogene estrogene estrogenes estrogenes Hormon estrogeno estrogenos estrogens oestrogen oestrogene oestrogenes oestrogens CHEBI:50114 estrogen Estrogene ChEBI Oestrogen ChEBI Oestrogene ChEBI estrogene ChEBI estrogenes ChEBI estrogenes Hormon ChEBI estrogeno ChEBI estrogenos ChEBI estrogens ChEBI oestrogen ChEBI oestrogene ChEBI oestrogenes ChEBI oestrogens ChEBI 0 CF3 69.00591 68.99521 C(F)(*)(F)F trifluoromethyl chebi_ontology -CF3 CHEBI:50127 trifluoromethyl group trifluoromethyl IUPAC -CF3 IUPAC Any compound that exhibits antagonist activity at the mu-opioid receptor chebi_ontology mu-opioid antagonist mu-opioid antagonists mu-opioid receptor antagonists CHEBI:50137 mu-opioid receptor antagonist mu-opioid antagonist ChEBI mu-opioid antagonists ChEBI mu-opioid receptor antagonists ChEBI A dialkyl ketone with butyl and ethyl as the two alkyl groups. 0 C7H14O InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 NGAZZOYFWWSOGK-UHFFFAOYSA-N 114.18546 114.10447 CCCCC(=O)CC Beilstein:506161 CAS:106-35-4 HMDB:HMDB0031482 PMID:22284503 PMID:23870484 Reaxys:506161 Wikipedia:3-Heptanone heptan-3-one chebi_ontology 3-Heptanone Aethylbutylketon Butyl ethyl ketone Ethyl n-butyl ketone Ethyl-n-butyl ketone Ethylbutylcetone n-Butyl ethyl ketone CHEBI:50139 heptan-3-one Beilstein:506161 Beilstein CAS:106-35-4 ChemIDplus CAS:106-35-4 NIST Chemistry WebBook PMID:22284503 Europe PMC PMID:23870484 Europe PMC Reaxys:506161 Reaxys heptan-3-one IUPAC 3-Heptanone ChemIDplus Aethylbutylketon ChemIDplus Butyl ethyl ketone ChemIDplus Ethyl n-butyl ketone ChemIDplus Ethyl-n-butyl ketone ChemIDplus Ethylbutylcetone ChemIDplus n-Butyl ethyl ketone ChemIDplus A carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol. 0 C25H22ClNO3 InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3 NYPJDWWKZLNGGM-UHFFFAOYSA-N 419.89982 419.12882 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 Beilstein:2025982 CAS:51630-58-1 KEGG:C10988 KEGG:D07952 PPDB:314 Reaxys:2025982 VSDB:314 Fenvalerate cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate chebi_ontology Pydrin alpha-cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetate alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate alpha-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate phenvalerate CHEBI:5014 fenvalerate Beilstein:2025982 Beilstein CAS:51630-58-1 ChemIDplus CAS:51630-58-1 KEGG COMPOUND Reaxys:2025982 Reaxys Fenvalerate KEGG_COMPOUND cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate IUPAC Pydrin KEGG_COMPOUND alpha-cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetate ChemIDplus alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate ChEBI alpha-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate ChEBI phenvalerate ChEBI A drug which causes a narrowing of the lumen of a bronchus or bronchiole. chebi_ontology bronchoconstrictor agents bronchoconstrictor drug CHEBI:50141 bronchoconstrictor agent bronchoconstrictor agents ChEBI bronchoconstrictor drug ChEBI A racemate comprising equimolar amounts of (R)- and (S)-fenpropimorph. It is a systemic fungicide, used to control a variety of fungal diseases in cereal crops. 0 C20H33NO 303.48210 303.25621 Beilstein:884767 CAS:67564-91-4 KEGG:C18787 PMID:1929324 PMID:21085999 PMID:22015243 PMID:3223956 PMID:3771458 PMID:8067730 Patent:EP0645458 Pesticides:fenpropimorph Reaxys:8703752 Reaxys:884767 Wikipedia:Fenpropimorph (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine fenpropimorph chebi_ontology (+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine BAS 42100F BAS 421F Forbel 750 Funbas Mildofix Mistral Ro 14-3169/000 cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine cis-4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine fenpropimorph cis-form fenpropimorphe CHEBI:50145 fenpropimorph Beilstein:884767 Beilstein CAS:67564-91-4 ChemIDplus CAS:67564-91-4 KEGG COMPOUND PMID:1929324 Europe PMC PMID:21085999 Europe PMC PMID:22015243 Europe PMC PMID:3223956 Europe PMC PMID:3771458 Europe PMC PMID:8067730 Europe PMC Pesticides:fenpropimorph Alan Wood's Pesticides Reaxys:8703752 Reaxys Reaxys:884767 Reaxys (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine IUPAC fenpropimorph ChemIDplus (+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine ChemIDplus BAS 42100F ChemIDplus BAS 421F ChemIDplus Forbel 750 ChemIDplus Funbas ChemIDplus Mildofix ChemIDplus Mistral ChemIDplus Ro 14-3169/000 ChemIDplus cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine ChemIDplus cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine ChemIDplus cis-4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine ChemIDplus fenpropimorph cis-form ChemIDplus fenpropimorphe ChemIDplus A 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl substituents on the morpholine ring are in a cis relationship to each other and in which the remaining stereocentre has S configuration. 0 C20H33NO InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1 RYAUSSKQMZRMAI-YESZJQIVSA-N 303.48210 303.25621 C[C@H](CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C Beilstein:5340026 Reaxys:5340026 (2R,6S)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine chebi_ontology (S)-(-)-fenpropimorph (S)-cis-fenpropimorph CHEBI:50146 (S)-fenpropimorph Beilstein:5340026 Beilstein Reaxys:5340026 Reaxys (2R,6S)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine IUPAC (S)-(-)-fenpropimorph ChEBI (S)-cis-fenpropimorph ChEBI A 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl substituents on the morpholine ring are in a cis relationship to each other and in which the remaining stereocentre has R configuration. 0 C20H33NO InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m1/s1 RYAUSSKQMZRMAI-ZACQAIPSSA-N 303.48210 303.25621 C[C@@H](CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C Beilstein:8152974 (2R,6S)-4-[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine chebi_ontology (R)-cis-fenpropimorph CHEBI:50147 (R)-fenpropimorph Beilstein:8152974 Beilstein (2R,6S)-4-[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine IUPAC (R)-cis-fenpropimorph ChEBI A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a 3-(p-tert-butylphenyl)-2-methylpropyl group. 0 C20H33NO InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3 RYAUSSKQMZRMAI-UHFFFAOYSA-N 303.48210 303.25621 CC(CN1CC(C)OC(C)C1)Cc1ccc(cc1)C(C)(C)C Beilstein:884766 CAS:67306-03-0 Patent:DE2656747 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine chebi_ontology 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine CHEBI:50148 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine Beilstein:884766 Beilstein CAS:67306-03-0 ChemIDplus CAS:67306-03-0 NIST Chemistry WebBook 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine IUPAC 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine NIST_Chemistry_WebBook A dithiocarbamate salt that is the iron(III) salt of dimethyldithiocarbamic acid. Formerly used as a fungicide. 0 C9H18FeN3S6 416.49400 415.91744 CN(C)C(=S)S[Fe](SC(=S)N(C)C)SC(=S)N(C)C CAS:14484-64-1 KEGG:C11223 PMID:10536858 PMID:1237951 PMID:12395406 PMID:1258062 PMID:1270688 PMID:13022424 PMID:13368055 PMID:18966732 Patent:US1972961 Pesticides:ferbam Reaxys:13243337 Reaxys:3706105 iron(3+) tris(dimethylcarbamodithioate) chebi_ontology Carbamate Cormate Eisendimethyldithiocarbamat Ferbeck Fermacide Fermate Ferradow Ferric dimethyldithiocarbamate Fuklasin Hexaferb Hokmate Karbam Black Trifungol Trimanzone iron(3+) dimethyldithiocarbamate iron(III) dimethyldithiocarbamate tris(N,N-dimethyldithiocarbamato)iron(III) CHEBI:5015 ferbam CAS:14484-64-1 ChemIDplus CAS:14484-64-1 KEGG COMPOUND CAS:14484-64-1 NIST Chemistry WebBook PMID:10536858 Europe PMC PMID:1237951 Europe PMC PMID:12395406 Europe PMC PMID:1258062 Europe PMC PMID:1270688 Europe PMC PMID:13022424 Europe PMC PMID:13368055 Europe PMC PMID:18966732 Europe PMC Pesticides:ferbam Alan Wood's Pesticides Reaxys:13243337 Reaxys Reaxys:3706105 Reaxys iron(3+) tris(dimethylcarbamodithioate) IUPAC Carbamate ChEBI Cormate ChemIDplus Eisendimethyldithiocarbamat ChemIDplus Ferbeck ChEBI Fermacide ChemIDplus Fermate ChemIDplus Ferradow ChemIDplus Ferric dimethyldithiocarbamate KEGG_COMPOUND Fuklasin ChemIDplus Hexaferb ChemIDplus Hokmate ChemIDplus Karbam Black ChemIDplus Trifungol ChemIDplus Trimanzone ChemIDplus iron(3+) dimethyldithiocarbamate ChEBI iron(III) dimethyldithiocarbamate ChEBI tris(N,N-dimethyldithiocarbamato)iron(III) ChemIDplus Any anion formed by loss of a proton from a steroid acid. chebi_ontology steroid acid anions CHEBI:50160 steroid acid anion steroid acid anions ChEBI A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases. chebi_ontology desquamating agent keratolytic agent keratolytic drugs skin-peeling agent CHEBI:50176 keratolytic drug desquamating agent ChEBI keratolytic agent ChEBI keratolytic drugs ChEBI skin-peeling agent ChEBI A drug used to treat or prevent skin disorders or for the routine care of skin. chebi_ontology dermatologic agent dermatologic drugs dermatological agent CHEBI:50177 dermatologic drug dermatologic agent ChEBI dermatologic drugs ChEBI dermatological agent ChEBI An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. chebi_ontology CYP2D6 inhibitor CYP2D6 inhibitors P450 inhibitors cytochrome P450 inhibitor cytochrome P450 inhibitors CHEBI:50183 P450 inhibitor CYP2D6 inhibitor ChEBI CYP2D6 inhibitors ChEBI P450 inhibitors ChEBI cytochrome P450 inhibitor ChEBI cytochrome P450 inhibitors ChEBI A substance that can be converted into a vitamin by animal tissues. Wikipedia:Provitamin chebi_ontology provitamins CHEBI:50188 provitamin provitamins ChEBI A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'. 0 C15H12O5 InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N 272.25278 272.06847 Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 Beilstein:280888 LINCS:LSM-1927 MetaCyc:Naringenin 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology CHEBI:50202 naringenin naringenin A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). 0 C20H30O InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3 FPIPGXGPPPQFEQ-UHFFFAOYSA-N 286.45160 286.22967 CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO CHEBI:15037 CHEBI:26538 LINCS:LSM-5317 MetaCyc:Retinols 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol retinol chebi_ontology CHEBI:50211 retinol 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol IUPAC retinol UniProt An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*). CHEBI:76774 chebi_ontology EC 3.1.4.* (phosphoric diester hydrolase) inhibitors phosphodiesterase inhibitor phosphodiesterase inhibitors phosphoric diester hydrolase (EC 3.1.4.*) inhibitor phosphoric diester hydrolase (EC 3.1.4.*) inhibitors phosphoric diester hydrolase inhibitor phosphoric diester hydrolase inhibitors CHEBI:50218 EC 3.1.4.* (phosphoric diester hydrolase) inhibitor EC 3.1.4.* (phosphoric diester hydrolase) inhibitors ChEBI phosphodiesterase inhibitor ChEBI phosphodiesterase inhibitors ChEBI phosphoric diester hydrolase (EC 3.1.4.*) inhibitor ChEBI phosphoric diester hydrolase (EC 3.1.4.*) inhibitors ChEBI phosphoric diester hydrolase inhibitor ChEBI phosphoric diester hydrolase inhibitors ChEBI Any protective agent counteracting or neutralizing the action of poisons. chebi_ontology antidotes CHEBI:50247 antidote antidotes ChEBI Drug that acts on blood and blood-forming organs and those that affect the hemostatic system. chebi_ontology hematologic agents CHEBI:50248 hematologic agent hematologic agents ChEBI An agent that prevents blood clotting. chebi_ontology anticoagulante anticoagulants CHEBI:50249 anticoagulant anticoagulante ChEBI anticoagulants ChEBI Heterocyclic compound with sulfur and nitrogen in the ring. chebi_ontology Thiazides tiazidas CHEBI:50264 thiazide Thiazides ChEBI tiazidas ChEBI Heterocyclic compound of a ring with sulfur and two nitrogen atoms fused to a benzene ring. Members inhibit sodium-potassium-chloride symporters and are used as diuretics. chebi_ontology Benzothiadiazines benzothiadiazines CHEBI:50265 benzothiadiazine Benzothiadiazines ChEBI benzothiadiazines ChEBI A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. PMID:23993918 PMID:23998799 PMID:24329110 PMID:24628402 PMID:24709544 PMID:25144792 PMID:25157234 PMID:25269430 PMID:25391982 PMID:25591121 PMID:25620096 PMID:25795057 PMID:26028253 PMID:26184144 PMID:28070577 PMID:28215138 PMID:28219047 PMID:28259775 PMID:28319647 PMID:28329729 PMID:28334528 Wikipedia:Prodrug chebi_ontology Prodrugs CHEBI:50266 prodrug PMID:23993918 Europe PMC PMID:23998799 Europe PMC PMID:24329110 Europe PMC PMID:24628402 Europe PMC PMID:24709544 Europe PMC PMID:25144792 Europe PMC PMID:25157234 Europe PMC PMID:25269430 Europe PMC PMID:25391982 Europe PMC PMID:25591121 Europe PMC PMID:25620096 Europe PMC PMID:25795057 Europe PMC PMID:26028253 Europe PMC PMID:26184144 Europe PMC PMID:28070577 Europe PMC PMID:28215138 Europe PMC PMID:28219047 Europe PMC PMID:28259775 Europe PMC PMID:28319647 Europe PMC PMID:28329729 Europe PMC PMID:28334528 Europe PMC Prodrugs ChEBI Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. chebi_ontology chemoprotectant chemoprotectants chemoprotective agent chemoprotective agents protective agents CHEBI:50267 protective agent chemoprotectant ChEBI chemoprotectants ChEBI chemoprotective agent ChEBI chemoprotective agents ChEBI protective agents ChEBI A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. chebi_ontology GABA modulators CHEBI:50268 GABA modulator GABA modulators ChEBI A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA. chebi_ontology DNA topoisomerase inhibitor DNA topoisomerase inhibitors EC 5.99.1.2 (DNA topoisomerase) inhibitors EC 5.99.1.2 (topoisomerase I) inhibitor EC 5.99.1.2 (topoisomerase I) inhibitors EC 5.99.1.2 inhibitor EC 5.99.1.2 inhibitors topoisomerase I (EC 5.99.1.2) inhibitor topoisomerase I (EC 5.99.1.2) inhibitors topoisomerase I inhibitor topoisomerase I inhibitors type I DNA topoisomerase inhibitor type I DNA topoisomerase inhibitors CHEBI:50276 EC 5.99.1.2 (DNA topoisomerase) inhibitor DNA topoisomerase inhibitor ChEBI DNA topoisomerase inhibitors ChEBI EC 5.99.1.2 (DNA topoisomerase) inhibitors ChEBI EC 5.99.1.2 (topoisomerase I) inhibitor ChEBI EC 5.99.1.2 (topoisomerase I) inhibitors ChEBI EC 5.99.1.2 inhibitor ChEBI EC 5.99.1.2 inhibitors ChEBI topoisomerase I (EC 5.99.1.2) inhibitor ChEBI topoisomerase I (EC 5.99.1.2) inhibitors ChEBI topoisomerase I inhibitor ChEBI topoisomerase I inhibitors ChEBI type I DNA topoisomerase inhibitor ChEBI type I DNA topoisomerase inhibitors ChEBI chebi_ontology canonical nucleotide residues CHEBI:50297 canonical nucleotide residue canonical nucleotide residues ChEBI chebi_ontology canonical deoxyribonucleotide residues CHEBI:50298 canonical deoxyribonucleotide residue canonical deoxyribonucleotide residues ChEBI chebi_ontology canonical ribonucleotide residues CHEBI:50299 canonical ribonucleotide residue canonical ribonucleotide residues ChEBI An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum species and is used for the topical treatment of genital warts. 0 C22H22O8 InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 YJGVMLPVUAXIQN-XVVDYKMHSA-N 414.40530 414.13147 [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O CHEBI:45070 CHEBI:8280 CAS:518-28-5 DrugBank:DB01179 Drug_Central:3481 HMDB:HMDB0031452 KEGG:C10874 KEGG:D05529 KNApSAcK:C00000610 LINCS:LSM-3055 PDBeChem:POD PMID:15803102 PMID:22621772 PMID:23161544 PMID:23798883 PMID:8112825 Reaxys:99163 Wikipedia:Podophyllotoxin (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one Podophyllotoxin chebi_ontology (-)-podophyllotoxin 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE Condylox PPT Podofilox Podophyllinic acid lactone Podophyllotoxin 7 CHEBI:50305 podophyllotoxin CAS:518-28-5 ChemIDplus CAS:518-28-5 KEGG COMPOUND Drug_Central:3481 DrugCentral PMID:15803102 Europe PMC PMID:22621772 Europe PMC PMID:23161544 Europe PMC PMID:23798883 Europe PMC PMID:8112825 Europe PMC Reaxys:99163 Reaxys (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one IUPAC Podophyllotoxin KEGG_COMPOUND (-)-podophyllotoxin ChEBI 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE PDBeChem Condylox KEGG_DRUG PPT ChEBI Podofilox ChemIDplus Podophyllinic acid lactone ChemIDplus Podophyllotoxin 7 DrugBank furonaphthodioxole chebi_ontology furonaphthodioxoles CHEBI:50307 furonaphthodioxole furonaphthodioxole ChEBI furonaphthodioxoles ChEBI chebi_ontology CHEBI:50312 onium compound Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families. onium cations chebi_ontology onium cations onium ion onium ions CHEBI:50313 onium cation onium cations IUPAC onium cations ChEBI onium ion ChEBI onium ions ChEBI +1 FH2 InChI=1S/FH2/h1H2/q+1 YNESUKSMQODWNS-UHFFFAOYSA-N 21.01428 21.01350 [H][F+][H] fluoranium fluoronium chebi_ontology H2F(+) [FH2](+) CHEBI:50314 fluoronium fluoranium IUPAC fluoronium IUPAC H2F(+) IUPAC [FH2](+) ChEBI +1 ClH2 InChI=1S/ClH2/h1H2/q+1 IGJWHVUMEJASKV-UHFFFAOYSA-N 37.46858 36.98395 [H][Cl+][H] Gmelin:331 chloranium chloronium chebi_ontology H2Cl(+) [ClH2](+) CHEBI:50315 chloronium Gmelin:331 Gmelin chloranium IUPAC chloronium IUPAC H2Cl(+) IUPAC [ClH2](+) IUPAC +1 BrH2 InChI=1S/BrH2/h1H2/q+1 IWNNBBVLEFUBNE-UHFFFAOYSA-N 81.91988 80.93344 [H][Br+][H] Gmelin:719134 bromanium bromonium chebi_ontology H2Br(+) [BrH2](+) CHEBI:50316 bromonium Gmelin:719134 Gmelin bromanium IUPAC bromonium IUPAC H2Br(+) IUPAC [BrH2](+) ChEBI chebi_ontology nucleotide residues CHEBI:50319 nucleotide residue nucleotide residues ChEBI chebi_ontology nucleoside residues CHEBI:50320 nucleoside residue nucleoside residues ChEBI A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid. chebi_ontology canonical amino-acid side-chain canonical amino-acid side-chains proteinogenic amino-acid side-chain proteinogenic amino-acid side-chain groups proteinogenic amino-acid side-chains CHEBI:50325 proteinogenic amino-acid side-chain group canonical amino-acid side-chain ChEBI canonical amino-acid side-chains ChEBI proteinogenic amino-acid side-chain ChEBI proteinogenic amino-acid side-chain groups ChEBI proteinogenic amino-acid side-chains ChEBI 0 CH3S 47.10052 46.99555 SC* sulfanylmethyl chebi_ontology -CH2-SH HS-CH2- cysteine side-chain CHEBI:50326 sulfanylmethyl group sulfanylmethyl IUPAC -CH2-SH IUPAC HS-CH2- IUPAC cysteine side-chain ChEBI 0 C3H5O2 73.07060 73.02895 C(CC(=O)O)* 2-carboxyethyl chebi_ontology glutamic acid side-chain CHEBI:50329 2-carboxyethyl group 2-carboxyethyl IUPAC glutamic acid side-chain ChEBI 0 C3H6NO 72.08588 72.04494 C(CC(=O)N)* 3-amino-3-oxopropyl chebi_ontology glutamine side-chain CHEBI:50331 3-amino-3-oxopropyl group 3-amino-3-oxopropyl IUPAC glutamine side-chain ChEBI chebi_ontology organic nitrogen anions CHEBI:50335 organic nitrogen anion organic nitrogen anions ChEBI 0 C7H7O 107.12988 107.04969 C1=C(C*)C=CC(=C1)O 4-hydroxybenzyl chebi_ontology tyrosine side-chain CHEBI:50336 4-hydroxybenzyl group 4-hydroxybenzyl IUPAC tyrosine side-chain ChEBI 0 C4H5N2 81.09598 81.04527 *CC=1N=CNC1 1H-imidazol-4-ylmethyl chebi_ontology histidine side-chain CHEBI:50338 1H-imidazol-4-ylmethyl group 1H-imidazol-4-ylmethyl IUPAC histidine side-chain ChEBI 0 C4H10N 72.12894 72.08132 NCCCC* 4-aminobutyl chebi_ontology lysine side-chain CHEBI:50339 4-aminobutyl group 4-aminobutyl IUPAC lysine side-chain ChEBI 0 C4H10N3 100.14242 100.08747 NC(=N)NCCC* 3-carbamimidamidopropyl chebi_ontology 3-(carbamimidoylamino)propyl 3-guanidinopropyl arginine side-chain CHEBI:50340 3-carbamimidamidopropyl group 3-carbamimidamidopropyl IUPAC 3-(carbamimidoylamino)propyl IUPAC 3-guanidinopropyl ChEBI arginine side-chain ChEBI Any of the macrolides obtained as fermentation products from the bacterium Streptomyces avermitilis and consisting of a 16-membered macrocyclic backbone that is fused both benzofuran and spiroketal functions and contains a disaccharide substituent. They have significant anthelmintic and insecticidal properties. PMID:22039784 PMID:22039799 PMID:22542398 PMID:23165468 PMID:8688633 Wikipedia:Avermectin avermectin chebi_ontology avermectins CHEBI:50344 avermectin PMID:22039784 Europe PMC PMID:22039799 Europe PMC PMID:22542398 Europe PMC PMID:23165468 Europe PMC PMID:8688633 Europe PMC avermectin ChEBI avermectins ChEBI A carboxylic ester resulting from the formal condensation of the hydroxy group of an alcohol or phenol with the carboxy group of cyclopropanecarboxylic acid or its substituted derivatives. cyclopropanecarboxylate ester chebi_ontology cyclopropanecarboxylate esters cyclopropanecarboxylic ester cyclopropanecarboxylic esters CHEBI:50351 cyclopropanecarboxylate ester cyclopropanecarboxylate ester ChEBI cyclopropanecarboxylate esters ChEBI cyclopropanecarboxylic ester ChEBI cyclopropanecarboxylic esters ChEBI -1 C16H14F2N3O4S InChI=1S/C16H14F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3/q-1 HEYBXKVTQOEUTP-UHFFFAOYSA-N 382.36299 382.06786 COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC Beilstein:5363425 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide chebi_ontology CHEBI:50358 pantoprazole(1-) Beilstein:5363425 Beilstein 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide IUPAC 0 C22H30O5 InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1 VHRSUDSXCMQTMA-UWKORSIYSA-N 374.47060 374.20932 CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 Beilstein:7113955 11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione chebi_ontology (11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione CHEBI:50366 6-methylprednisolone Beilstein:7113955 Beilstein 11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione IUPAC (11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione ChEBI taxane diterpenoid chebi_ontology taxane diterpenoids CHEBI:50367 taxane diterpenoid taxane diterpenoid ChEBI taxane diterpenoids ChEBI Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. chebi_ontology parasympatholytics CHEBI:50370 parasympatholytic parasympatholytics ChEBI An EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor that interferes with the action of NAD(P)H dehydrogenase (quinone), EC 1.6.5.2. chebi_ontology DT diaphorase inhibitor EC 1.6.5.2 (NAD(P)H dehydrogenase (quinone)) inhibitor EC 1.6.5.2 (NAD(P)H dehydrogenase (quinone)) inhibitors EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitors EC 1.6.5.2 inhibitor EC 1.6.5.2 inhibitors NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) inhibitor NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) inhibitors NAD(P)H dehydrogenase (quinone) inhibitor NAD(P)H dehydrogenase (quinone) inhibitors NAD(P)H dehydrogenase inhibitor NAD(P)H dehydrogenase inhibitors NAD(P)H menadione reductase inhibitor NAD(P)H menadione reductase inhibitors NAD(P)H-quinone dehydrogenase inhibitor NAD(P)H-quinone dehydrogenase inhibitors NAD(P)H-quinone oxidoreductase inhibitor NAD(P)H-quinone oxidoreductase inhibitors NAD(P)H2 dehydrogenase (quinone) inhibitor NAD(P)H2 dehydrogenase (quinone) inhibitors NAD(P)H: menadione oxidoreductase inhibitor NAD(P)H: menadione oxidoreductase inhibitors NAD(P)H:(quinone-acceptor)oxidoreductase inhibitor NAD(P)H:(quinone-acceptor)oxidoreductase inhibitors NAD(P)H:quinone oxidoreductase inhibitor NAD(P)H:quinone oxidoreductase inhibitors NADH-menadione reductase inhibitor NADH-menadione reductase inhibitors NQO1 inhibitor NQO1 inhibitors QR1 inhibitor QR1 inhibitors dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate, quinone) inhibitor dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate, quinone) inhibitors diaphorase inhibitor diaphorase inhibitors flavoprotein NAD(P)H-quinone reductase inhibitor flavoprotein NAD(P)H-quinone reductase inhibitors menadione oxidoreductase inhibitor menadione oxidoreductase inhibitors menadione reductase inhibitor menadione reductase inhibitors naphthoquinone reductase inhibitor naphthoquinone reductase inhibitors p-benzoquinone reductase inhibitor p-benzoquinone reductase inhibitors phylloquinone reductase inhibitor phylloquinone reductase inhibitors quinone reductase inhibitor quinone reductase inhibitors reduced NAD(P)H dehydrogenase inhibitor reduced NAD(P)H dehydrogenase inhibitors reduced nicotinamide-adenine dinucleotide (phosphate) dehydrogenase inhibitor reduced nicotinamide-adenine dinucleotide (phosphate) dehydrogenase inhibitors viologen accepting pyridine nucleotide oxidoreductase inhibitor viologen accepting pyridine nucleotide oxidoreductase inhibitors vitamin K reductase inhibitor vitamin K reductase inhibitors vitamin-K reductase inhibitor vitamin-K reductase inhibitors CHEBI:50390 EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor DT diaphorase inhibitor ChEBI EC 1.6.5.2 (NAD(P)H dehydrogenase (quinone)) inhibitor ChEBI EC 1.6.5.2 (NAD(P)H dehydrogenase (quinone)) inhibitors ChEBI EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitors ChEBI EC 1.6.5.2 inhibitor ChEBI EC 1.6.5.2 inhibitors ChEBI NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) inhibitor ChEBI NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) inhibitors ChEBI NAD(P)H dehydrogenase (quinone) inhibitor ChEBI NAD(P)H dehydrogenase (quinone) inhibitors ChEBI NAD(P)H dehydrogenase inhibitor ChEBI NAD(P)H dehydrogenase inhibitors ChEBI NAD(P)H menadione reductase inhibitor ChEBI NAD(P)H menadione reductase inhibitors ChEBI NAD(P)H-quinone dehydrogenase inhibitor ChEBI NAD(P)H-quinone dehydrogenase inhibitors ChEBI NAD(P)H-quinone oxidoreductase inhibitor ChEBI NAD(P)H-quinone oxidoreductase inhibitors ChEBI NAD(P)H2 dehydrogenase (quinone) inhibitor ChEBI NAD(P)H2 dehydrogenase (quinone) inhibitors ChEBI NAD(P)H: menadione oxidoreductase inhibitor ChEBI NAD(P)H: menadione oxidoreductase inhibitors ChEBI NAD(P)H:(quinone-acceptor)oxidoreductase inhibitor ChEBI NAD(P)H:(quinone-acceptor)oxidoreductase inhibitors ChEBI NAD(P)H:quinone oxidoreductase inhibitor ChEBI NAD(P)H:quinone oxidoreductase inhibitors ChEBI NADH-menadione reductase inhibitor ChEBI NADH-menadione reductase inhibitors ChEBI NQO1 inhibitor ChEBI NQO1 inhibitors ChEBI QR1 inhibitor ChEBI QR1 inhibitors ChEBI dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate, quinone) inhibitor ChEBI dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate, quinone) inhibitors ChEBI diaphorase inhibitor ChEBI diaphorase inhibitors ChEBI flavoprotein NAD(P)H-quinone reductase inhibitor ChEBI flavoprotein NAD(P)H-quinone reductase inhibitors ChEBI menadione oxidoreductase inhibitor ChEBI menadione oxidoreductase inhibitors ChEBI menadione reductase inhibitor ChEBI menadione reductase inhibitors ChEBI naphthoquinone reductase inhibitor ChEBI naphthoquinone reductase inhibitors ChEBI p-benzoquinone reductase inhibitor ChEBI p-benzoquinone reductase inhibitors ChEBI phylloquinone reductase inhibitor ChEBI phylloquinone reductase inhibitors ChEBI quinone reductase inhibitor ChEBI quinone reductase inhibitors ChEBI reduced NAD(P)H dehydrogenase inhibitor ChEBI reduced NAD(P)H dehydrogenase inhibitors ChEBI reduced nicotinamide-adenine dinucleotide (phosphate) dehydrogenase inhibitor ChEBI reduced nicotinamide-adenine dinucleotide (phosphate) dehydrogenase inhibitors ChEBI viologen accepting pyridine nucleotide oxidoreductase inhibitor ChEBI viologen accepting pyridine nucleotide oxidoreductase inhibitors ChEBI vitamin K reductase inhibitor ChEBI vitamin K reductase inhibitors ChEBI vitamin-K reductase inhibitor ChEBI vitamin-K reductase inhibitors ChEBI A racemate comprising equal amounts of (R)- and (S)-warfarin(1-). -1 C19H15O4 307.321 307.09703 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate chebi_ontology CHEBI:50393 warfarin(1-) 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate IUPAC Any steroid based on a cholestane skeleton and its derivatives. chebi_ontology cholestanoids CHEBI:50401 cholestanoid cholestanoids ChEBI Any steroid based on an androstane skeleton and its derivatives. chebi_ontology androstanoids CHEBI:50402 androstanoid androstanoids ChEBI Cholesterol esters and free cholesterol which are contained in or bound to lipoproteins. chebi_ontology CHEBI:50404 lipoprotein cholesterol A role played by a molecular entity used to study the microscopic environment. chebi_ontology CHEBI:50406 probe An acid or base which exhibits a colour change on neutralization by the basic or acidic titrant at or near the equivalence point of a titration. acid-base indicator chebi_ontology Saeure-Base-Indikator Saeure-Base-Indikatoren indicador acido-base indicateur acide-base CHEBI:50407 acid-base indicator acid-base indicator IUPAC Saeure-Base-Indikator ChEBI Saeure-Base-Indikatoren ChEBI indicador acido-base IUPAC indicateur acide-base IUPAC Anything used in a scientific experiment that gives a visual change to indicate the presence of a substance or quality, change in a body, etc. visual indicator chebi_ontology indicador visual indicateur visuel CHEBI:50408 visual indicator visual indicator IUPAC indicador visual IUPAC indicateur visuel IUPAC colour indicator chebi_ontology indicador de color indicateur colore indicateurs colores CHEBI:50410 colour indicator colour indicator IUPAC indicador de color IUPAC indicateur colore IUPAC indicateurs colores ChEBI A colour indicator that is colourless on one side of the transition interval. one-colour indicator chebi_ontology indicador monocolor indicador monocromico indicateur monocolore CHEBI:50411 one-colour indicator one-colour indicator IUPAC indicador monocolor IUPAC indicador monocromico IUPAC indicateur monocolore IUPAC 0 C6H7N 93.127 93.05785 chebi_ontology CHEBI:50414 methylpyridine A methylpyridine carrying a methyl substituent at position 2. 0 C6H7N InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3 BSKHPKMHTQYZBB-UHFFFAOYSA-N 93.12650 93.05785 Cc1ccccn1 CHEBI:32545 CHEBI:34297 Beilstein:104581 CAS:109-06-8 Gmelin:2639 KEGG:C14447 PMID:21359348 PMID:23290448 Reaxys:104581 Wikipedia:2-methylpyridine 2-Methylpyridine 2-methylpyridine chebi_ontology 2-Mepy 2-picoline alpha-picoline o-methylpyridine o-picoline CHEBI:50415 2-methylpyridine Beilstein:104581 Beilstein CAS:109-06-8 ChemIDplus CAS:109-06-8 KEGG COMPOUND CAS:109-06-8 NIST Chemistry WebBook Gmelin:2639 Gmelin PMID:21359348 Europe PMC PMID:23290448 Europe PMC Reaxys:104581 Reaxys 2-Methylpyridine KEGG_COMPOUND 2-methylpyridine IUPAC 2-Mepy IUPAC 2-picoline NIST_Chemistry_WebBook alpha-picoline NIST_Chemistry_WebBook o-methylpyridine NIST_Chemistry_WebBook o-picoline NIST_Chemistry_WebBook chebi_ontology 2-propenoate ester 2-propenoate esters acrylate esters prop-2-enoate ester prop-2-enoate esters CHEBI:50424 acrylate ester 2-propenoate ester ChEBI 2-propenoate esters ChEBI acrylate esters ChEBI prop-2-enoate ester ChEBI prop-2-enoate esters ChEBI A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. chebi_ontology platelet aggregation inhibitors CHEBI:50427 platelet aggregation inhibitor platelet aggregation inhibitors ChEBI A primary arylamine that is naphthalene substituted by an amino group at unspecified position. 0 C10H9N 143.186 143.07350 naphthalenamine chebi_ontology Aminonaphthalin Naphthylamin naftilamina CHEBI:50448 naphthylamine naphthalenamine IUPAC Aminonaphthalin ChEBI Naphthylamin ChEBI naftilamina ChEBI A naphthylamine that is naphthalene substituted by an amino group at position 1. 0 C10H9N InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2 RUFPHBVGCFYCNW-UHFFFAOYSA-N 143.18520 143.07350 Nc1cccc2ccccc12 CHEBI:34098 CHEBI:50449 Beilstein:386133 CAS:134-32-7 Gmelin:165496 KEGG:C14790 PMID:23706116 PMID:24735928 Reaxys:386133 Wikipedia:1-Naphthylamine 1-Naphthylamine naphthalen-1-amine chebi_ontology 1-Naphthylamin 1-aminonaphthalene 1-naftilamina 1-naphthalamine 1-naphthalenamine alpha-aminonaphthalene alpha-naphthylamine naphthalen-1-ylamine CHEBI:50450 1-naphthylamine Beilstein:386133 Beilstein CAS:134-32-7 ChemIDplus CAS:134-32-7 KEGG COMPOUND CAS:134-32-7 NIST Chemistry WebBook Gmelin:165496 Gmelin PMID:23706116 Europe PMC PMID:24735928 Europe PMC Reaxys:386133 Reaxys 1-Naphthylamine KEGG_COMPOUND naphthalen-1-amine IUPAC 1-Naphthylamin ChemIDplus 1-aminonaphthalene ChemIDplus 1-naftilamina ChemIDplus 1-naphthalamine ChemIDplus 1-naphthalenamine NIST_Chemistry_WebBook alpha-aminonaphthalene NIST_Chemistry_WebBook alpha-naphthylamine NIST_Chemistry_WebBook naphthalen-1-ylamine NIST_Chemistry_WebBook A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. 0 C10H20O InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 QMVPMAAFGQKVCJ-UHFFFAOYSA-N 156.26520 156.15142 CC(CCO)CCC=C(C)C Beilstein:1362474 CAS:106-22-9 PMID:20964319 Reaxys:1362474 Wikipedia:Citronellol 3,7-dimethyloct-6-en-1-ol chebi_ontology 2,3-Dihydrogeraniol 2,6-Dimethyl-2-octen-8-ol 3,7-Dimethyl-6-octen-1-ol Cephrol Elenol beta-Citronellol CHEBI:50462 citronellol Beilstein:1362474 Beilstein CAS:106-22-9 ChemIDplus CAS:106-22-9 NIST Chemistry WebBook PMID:20964319 Europe PMC Reaxys:1362474 Reaxys 3,7-dimethyloct-6-en-1-ol IUPAC 2,3-Dihydrogeraniol NIST_Chemistry_WebBook 2,6-Dimethyl-2-octen-8-ol ChemIDplus 3,7-Dimethyl-6-octen-1-ol ChemIDplus Cephrol NIST_Chemistry_WebBook Elenol NIST_Chemistry_WebBook beta-Citronellol NIST_Chemistry_WebBook A primary amine formally derived from ammonia by replacing one hydrogen atom by an aryl group. R-NH2 where R is an aryl group. 0 H2NR 16.023 16.01872 [H]N(*)[H] primary arylamine chebi_ontology an arylamine CHEBI:50471 primary arylamine primary arylamine ChEBI an arylamine UniProt Any carboxylic ester where the carboxylic acid component is butyric acid. 0 C4H7O2R 87.097 87.04460 CCCC(=O)O[*] CHEBI:87655 PMID:23383323 butyrate ester chebi_ontology a butanoate ester butanoate ester butanoate esters butyrate esters n-butanoate ester n-butyrate ester CHEBI:50477 butyrate ester PMID:23383323 SUBMITTER butyrate ester ChEBI a butanoate ester UniProt butanoate ester ChEBI butanoate esters ChEBI butyrate esters ChEBI n-butanoate ester ChEBI n-butyrate ester ChEBI A group derived from a haloalkane by removal of a hydrogen atom. chebi_ontology haloalkyl groups CHEBI:50491 haloalkyl group haloalkyl groups ChEBI Any compound containing the thiocarbonyl group, C=S. chebi_ontology thiocarbonyl compounds CHEBI:50492 thiocarbonyl compound thiocarbonyl compounds ChEBI An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dihydropteroate synthase (EC 2.5.1.15), an enzyme that catalyzes the formation of dihydropteroate from p-aminobenzoic acid and dihydropteridine-hydroxymethyl-pyrophosphate. Wikipedia:Dihydropteroate_synthase_inhibitor chebi_ontology (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitor (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitors 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitor 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitors 7,8-dihydropteroate synthase inhibitor 7,8-dihydropteroate synthase inhibitors 7,8-dihydropteroate synthetase inhibitor 7,8-dihydropteroate synthetase inhibitors 7,8-dihydropteroic acid synthetase inhibitor 7,8-dihydropteroic acid synthetase inhibitors DHPS inhibitor DHPS inhibitors EC 2.5.1.15 (dihydropteroate synthase) inhibitors EC 2.5.1.15 inhibitor EC 2.5.1.15 inhibitors dihydropteroate diphosphorylase inhibitor dihydropteroate diphosphorylase inhibitors dihydropteroate pyrophosphorylase inhibitor dihydropteroate pyrophosphorylase inhibitors dihydropteroate synthase (EC 2.5.1.15) inhibitor dihydropteroate synthase (EC 2.5.1.15) inhibitors dihydropteroate synthase inhibitor dihydropteroate synthase inhibitors dihydropteroate synthetase inhibitor dihydropteroate synthetase inhibitors dihydropteroic synthetase inhibitor dihydropteroic synthetase inhibitors CHEBI:50502 EC 2.5.1.15 (dihydropteroate synthase) inhibitor (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitor ChEBI (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitors ChEBI 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitor ChEBI 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitors ChEBI 7,8-dihydropteroate synthase inhibitor ChEBI 7,8-dihydropteroate synthase inhibitors ChEBI 7,8-dihydropteroate synthetase inhibitor ChEBI 7,8-dihydropteroate synthetase inhibitors ChEBI 7,8-dihydropteroic acid synthetase inhibitor ChEBI 7,8-dihydropteroic acid synthetase inhibitors ChEBI DHPS inhibitor ChEBI DHPS inhibitors ChEBI EC 2.5.1.15 (dihydropteroate synthase) inhibitors ChEBI EC 2.5.1.15 inhibitor ChEBI EC 2.5.1.15 inhibitors ChEBI dihydropteroate diphosphorylase inhibitor ChEBI dihydropteroate diphosphorylase inhibitors ChEBI dihydropteroate pyrophosphorylase inhibitor ChEBI dihydropteroate pyrophosphorylase inhibitors ChEBI dihydropteroate synthase (EC 2.5.1.15) inhibitor ChEBI dihydropteroate synthase (EC 2.5.1.15) inhibitors ChEBI dihydropteroate synthase inhibitor ChEBI dihydropteroate synthase inhibitors ChEBI dihydropteroate synthetase inhibitor ChEBI dihydropteroate synthetase inhibitors ChEBI dihydropteroic synthetase inhibitor ChEBI dihydropteroic synthetase inhibitors ChEBI An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. chebi_ontology aperient aperients laxante laxatives purgative purgatives CHEBI:50503 laxative aperient ChEBI aperients ChEBI laxante ChEBI laxatives ChEBI purgative ChEBI purgatives ChEBI Substance that sweeten food, beverages, medications, etc. chebi_ontology sweetener sweeteners CHEBI:50505 sweetening agent sweetener ChEBI sweeteners ChEBI An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions. chebi_ontology CHEBI:50509 potassium channel blocker chebi_ontology CHEBI:50510 potassium channel modulator Compounds containing a bipyridine group. chebi_ontology bipyridyls CHEBI:50511 bipyridines bipyridyls ChEBI Agent that dilates the pupil. Used in eye diseases and to facilitate eye examination. It may be either a sympathomimetic or parasympatholytic. The latter cause cycloplegia or paralysis of accommodation at high doses and may precipitate glaucoma. chebi_ontology mydriatics CHEBI:50513 mydriatic agent mydriatics ChEBI Drug used to cause constriction of the blood vessels. chebi_ontology CHEBI:50514 vasoconstrictor agent A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. 0 C4H4O2 84.074 84.02113 CHEBI:22960 CHEBI:38121 Wikipedia:Butenolide furan-2-one chebi_ontology 2-furanone butenolides CHEBI:50523 butenolide furan-2-one IUPAC 2-furanone ChEBI butenolides ChEBI A phenolate anion that is the conjugate base of catechol. -1 C6H5O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1 YCIMNLLNPGFGHC-UHFFFAOYSA-M 109.10270 109.02950 Oc1ccccc1[O-] Beilstein:3904355 Gmelin:142204 Reaxys:3904355 2-hydroxyphenolate chebi_ontology pyrocatechol monoanion CHEBI:50524 catecholate(1-) Beilstein:3904355 Beilstein Gmelin:142204 Gmelin Reaxys:3904355 Reaxys 2-hydroxyphenolate IUPAC pyrocatechol monoanion ChEBI An organic anion arising from deprotonation of the OH function of a phenol compound. chebi_ontology phenolate anions CHEBI:50525 phenolate anion phenolate anions ChEBI A phenolate anion that is the conjugate base of phenol obtained by deprotonation of the OH group. -1 C6H5O InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1 ISWSIDIOOBJBQZ-UHFFFAOYSA-M 93.10330 93.03459 [O-]c1ccccc1 Beilstein:3587965 CAS:3229-70-7 Gmelin:2793 phenolate chebi_ontology Phenol ion Phenoxy ion phenoxide anion CHEBI:50526 phenolate Beilstein:3587965 Beilstein CAS:3229-70-7 ChemIDplus CAS:3229-70-7 NIST Chemistry WebBook Gmelin:2793 Gmelin phenolate IUPAC Phenol ion ChemIDplus Phenoxy ion ChemIDplus phenoxide anion NIST_Chemistry_WebBook chebi_ontology CHEBI:50533 protein denaturant phosphorus coordination entity chebi_ontology phosphorus coordination compounds phosphorus coordination entities CHEBI:50536 phosphorus coordination entity phosphorus coordination entity ChEBI phosphorus coordination compounds ChEBI phosphorus coordination entities ChEBI -1 SR 32.06500 31.97207 [S-][*] CHEBI:58617 thiolate anion chebi_ontology thiolate thiolate anions thiolates CHEBI:50539 thiolate anion thiolate anion ChEBI thiolate ChEBI thiolate anions ChEBI thiolates ChEBI A salt of the organic compound tartaric acid. chebi_ontology tartrate tartrate salts tartrates CHEBI:50562 tartrate salt tartrate ChEBI tartrate salts ChEBI tartrates ChEBI An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide. CHEBI:77704 chebi_ontology NO donor NO donors NO generator NO generators NO releasing agent NO releasing agents nitric oxide donors nitric oxide generators nitric oxide releasing agent nitric oxide releasing agents CHEBI:50566 nitric oxide donor NO donor ChEBI NO donors ChEBI NO generator ChEBI NO generators ChEBI NO releasing agent ChEBI NO releasing agents ChEBI nitric oxide donors ChEBI nitric oxide generators ChEBI nitric oxide releasing agent ChEBI nitric oxide releasing agents ChEBI The acetate ester of isobutanol. 0 C6H12O2 InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 GJRQTCIYDGXPES-UHFFFAOYSA-N 116.15828 116.08373 CC(C)COC(C)=O Beilstein:1741909 CAS:110-19-0 Gmelin:101394 Reaxys:1741909 Wikipedia:Isobutyl_acetate 2-methylpropyl acetate isobutyl acetate chebi_ontology 2-methyl-1-propyl acetate 2-methylpropyl ethanoate Essigsaeureisobutylester Isobutylacetat Isobutylazetat acetate d'isobutyle acetic acid, 2-methylpropyl ester acetic acid, isobutyl ester beta-methylpropyl ethanoate i-butyl acetate isobutyl ethanoate CHEBI:50569 isobutyl acetate Beilstein:1741909 Beilstein CAS:110-19-0 ChemIDplus CAS:110-19-0 NIST Chemistry WebBook Gmelin:101394 Gmelin Reaxys:1741909 Reaxys 2-methylpropyl acetate IUPAC isobutyl acetate IUPAC 2-methyl-1-propyl acetate ChemIDplus 2-methylpropyl ethanoate NIST_Chemistry_WebBook Essigsaeureisobutylester ChEBI Isobutylacetat ChEBI Isobutylazetat ChEBI acetate d'isobutyle ChemIDplus acetic acid, 2-methylpropyl ester ChemIDplus acetic acid, isobutyl ester ChemIDplus beta-methylpropyl ethanoate NIST_Chemistry_WebBook i-butyl acetate NIST_Chemistry_WebBook isobutyl ethanoate NIST_Chemistry_WebBook An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position. CHEBI:22937 CHEBI:50581 chebi_ontology alkyl alcohols hydroxyalkane hydroxyalkanes CHEBI:50584 alkyl alcohol alkyl alcohols ChEBI hydroxyalkane ChEBI hydroxyalkanes ChEBI The D isomer of N-acetylglucosamine. 0 C8H15NO6 InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-RTRLPJTCSA-N 221.20780 221.08994 CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O Beilstein:1913592 CAS:7512-17-6 DrugBank:DB00141 GlyGen:G64581RP GlyTouCan:G64581RP KEGG:C00140 PDBeChem:NAG PMID:11950472 PMID:21487204 PMID:6174502 PMID:7688662 2-acetamido-2-deoxy-D-glucopyranose N-Acetyl-D-glucosamine N-acetyl-D-glucosamine chebi_ontology 2-Acetamido-2-deoxy-D-glucose GlcNAc N-Acetylchitosamine WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*NCC/3=O]/1/ CHEBI:506227 N-acetyl-D-glucosamine Beilstein:1913592 Beilstein CAS:7512-17-6 KEGG COMPOUND PMID:11950472 Europe PMC PMID:21487204 Europe PMC PMID:6174502 Europe PMC PMID:7688662 Europe PMC 2-acetamido-2-deoxy-D-glucopyranose IUPAC N-Acetyl-D-glucosamine KEGG_COMPOUND N-acetyl-D-glucosamine UniProt 2-Acetamido-2-deoxy-D-glucose DrugBank 2-Acetamido-2-deoxy-D-glucose KEGG_COMPOUND GlcNAc DrugBank GlcNAc KEGG_COMPOUND N-Acetylchitosamine DrugBank N-Acetylchitosamine KEGG_COMPOUND WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*NCC/3=O]/1/ GlyTouCan A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. Wikipedia:Prostaglandin-endoperoxide_synthase_2 chebi_ontology COX-2 inhibitor COX-2 inhibitors PGHS-2 inhibitor PGHS-2 inhibitors cyclo-oxygenase 2 inhibitor cyclo-oxygenase 2 inhibitors cyclo-oxygenase-2 inhibitor cyclo-oxygenase-2 inhibitors cyclooxygenase 2 inhibitors cyclooxygenase-2 inhibitor cyclooxygenase-2 inhibitors prostaglandin H synthase-2 inhibitor prostaglandin H synthase-2 inhibitors prostaglandin-endoperoxide synthase 2 inhibitor prostaglandin-endoperoxide synthase 2 inhibitors CHEBI:50629 cyclooxygenase 2 inhibitor COX-2 inhibitor ChEBI COX-2 inhibitors ChEBI PGHS-2 inhibitor ChEBI PGHS-2 inhibitors ChEBI cyclo-oxygenase 2 inhibitor ChEBI cyclo-oxygenase 2 inhibitors ChEBI cyclo-oxygenase-2 inhibitor ChEBI cyclo-oxygenase-2 inhibitors ChEBI cyclooxygenase 2 inhibitors ChEBI cyclooxygenase-2 inhibitor ChEBI cyclooxygenase-2 inhibitors ChEBI prostaglandin H synthase-2 inhibitor ChEBI prostaglandin H synthase-2 inhibitors ChEBI prostaglandin-endoperoxide synthase 2 inhibitor ChEBI prostaglandin-endoperoxide synthase 2 inhibitors ChEBI A racemate comprising equimolar amounts of (R)- and (S)-fipronil. Beilstein:8090115 CAS:120068-37-3 KEGG:C11099 KEGG:D01042 PMID:14667049 PMID:17562454 PMID:17687584 PMID:18155147 PMID:18835630 PMID:19215184 PMID:19355792 PMID:20821427 PMID:22502899 PMID:23109279 PMID:23576335 PMID:23618775 PMID:24742550 PMID:24899256 PMID:24938819 PMID:25077813 PMID:25096486 PMID:25131894 Patent:EP295117 Patent:US5232940 Pesticides:fipronil Reaxys:8090115 Wikipedia:Fipronil Fipronil rac-5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile chebi_ontology (+-)-5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile 5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-[(trifluoromethyl)sulfinyl]pyrazole-3-carbonitrile rac-fipronil CHEBI:5063 fipronil Beilstein:8090115 Beilstein CAS:120068-37-3 ChemIDplus CAS:120068-37-3 KEGG COMPOUND CAS:120068-37-3 NIST Chemistry WebBook PMID:14667049 Europe PMC PMID:17562454 Europe PMC PMID:17687584 Europe PMC PMID:18155147 Europe PMC PMID:18835630 Europe PMC PMID:19215184 Europe PMC PMID:19355792 Europe PMC PMID:20821427 Europe PMC PMID:22502899 Europe PMC PMID:23109279 Europe PMC PMID:23576335 Europe PMC PMID:23618775 Europe PMC PMID:24742550 Europe PMC PMID:24899256 Europe PMC PMID:24938819 Europe PMC PMID:25077813 Europe PMC PMID:25096486 Europe PMC PMID:25131894 Europe PMC Pesticides:fipronil Alan Wood's Pesticides Reaxys:8090115 Reaxys Fipronil KEGG_COMPOUND rac-5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile IUPAC (+-)-5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile IUPAC 5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-[(trifluoromethyl)sulfinyl]pyrazole-3-carbonitrile Alan_Wood's_Pesticides rac-fipronil ChEBI A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. Wikipedia:PTGS1 chebi_ontology COX-1 inhibitor COX-1 inhibitors PTGS1 inhibitor PTGS1 inhibitors cyclo-oxygenase 1 inhibitor cyclo-oxygenase 1 inhibitors cyclooxygenase 1 inhibitors cyclooxygenase-1 inhibitor cyclooxygenase-1 inhibitors prostaglandin G/H synthase 1 inhibitor prostaglandin G/H synthase 1 inhibitors prostaglandin H2 synthase 1 inhibitor prostaglandin H2 synthase 1 inhibitors prostaglandin-endoperoxide synthase 1 inhibitor prostaglandin-endoperoxide synthase 1 inhibitors CHEBI:50630 cyclooxygenase 1 inhibitor COX-1 inhibitor ChEBI COX-1 inhibitors ChEBI PTGS1 inhibitor ChEBI PTGS1 inhibitors ChEBI cyclo-oxygenase 1 inhibitor ChEBI cyclo-oxygenase 1 inhibitors ChEBI cyclooxygenase 1 inhibitors ChEBI cyclooxygenase-1 inhibitor ChEBI cyclooxygenase-1 inhibitors ChEBI prostaglandin G/H synthase 1 inhibitor ChEBI prostaglandin G/H synthase 1 inhibitors ChEBI prostaglandin H2 synthase 1 inhibitor ChEBI prostaglandin H2 synthase 1 inhibitors ChEBI prostaglandin-endoperoxide synthase 1 inhibitor ChEBI prostaglandin-endoperoxide synthase 1 inhibitors ChEBI A nitroarene that is naphthalene substituted by at least one nitro group. chebi_ontology nitronaphthalenes CHEBI:50631 nitronaphthalene nitronaphthalenes ChEBI A nitronaphthalene carrying a single nitro group at unspecified position. 0 C10H7NO2 173.168 173.04768 chebi_ontology CHEBI:50632 mononitronaphthalene A mononitronaphthalene carrying a nitro group at position 2. 0 C10H7NO2 InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H ZJYJZEAJZXVAMF-UHFFFAOYSA-N 173.16812 173.04768 [O-][N+](=O)c1ccc2ccccc2c1 Beilstein:2046354 CAS:581-89-5 KEGG:C19474 PMID:13778003 PMID:4986249 PMID:7026224 Reaxys:2046354 2-nitronaphthalene chebi_ontology beta-nitronaphthalene CHEBI:50637 2-nitronaphthalene Beilstein:2046354 Beilstein CAS:581-89-5 ChemIDplus CAS:581-89-5 KEGG COMPOUND CAS:581-89-5 NIST Chemistry WebBook PMID:13778003 Europe PMC PMID:4986249 Europe PMC PMID:7026224 Europe PMC Reaxys:2046354 Reaxys 2-nitronaphthalene IUPAC beta-nitronaphthalene NIST_Chemistry_WebBook An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dimethylallyltranstransferase (EC 2.5.1.1). Wikipedia:Dimethylallyltranstransferase chebi_ontology (2E,6E)-farnesyl diphosphate synthetase inhibitor (2E,6E)-farnesyl diphosphate synthetase inhibitors DMAPP:IPP-dimethylallyltransferase inhibitor DMAPP:IPP-dimethylallyltransferase inhibitors EC 2.5.1.1 (dimethylallyltranstransferase) inhibitors EC 2.5.1.1 inhibitor EC 2.5.1.1 inhibitors dimethylallyl-diphosphate:isopentenyl-diphosphate dimethylallyltranstransferase inhibitor dimethylallyl-diphosphate:isopentenyl-diphosphate dimethylallyltranstransferase inhibitors dimethylallyltransferase inhibitor dimethylallyltransferase inhibitors dimethylallyltranstransferase (EC 2.5.1.1) inhibitor dimethylallyltranstransferase (EC 2.5.1.1) inhibitors dimethylallyltranstransferase inhibitor dimethylallyltranstransferase inhibitors diprenyltransferase inhibitor diprenyltransferase inhibitors geranyl pyrophosphate synthase inhibitor geranyl pyrophosphate synthase inhibitors geranyl pyrophosphate synthetase inhibitor geranyl pyrophosphate synthetase inhibitors geranyl-diphosphate synthase inhibitor geranyl-diphosphate synthase inhibitors prenyltransferase inhibitor prenyltransferase inhibitors trans-farnesyl pyrophosphate synthetase inhibitor trans-farnesyl pyrophosphate synthetase inhibitors CHEBI:50643 EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor (2E,6E)-farnesyl diphosphate synthetase inhibitor ChEBI (2E,6E)-farnesyl diphosphate synthetase inhibitors ChEBI DMAPP:IPP-dimethylallyltransferase inhibitor ChEBI DMAPP:IPP-dimethylallyltransferase inhibitors ChEBI EC 2.5.1.1 (dimethylallyltranstransferase) inhibitors ChEBI EC 2.5.1.1 inhibitor ChEBI EC 2.5.1.1 inhibitors ChEBI dimethylallyl-diphosphate:isopentenyl-diphosphate dimethylallyltranstransferase inhibitor ChEBI dimethylallyl-diphosphate:isopentenyl-diphosphate dimethylallyltranstransferase inhibitors ChEBI dimethylallyltransferase inhibitor ChEBI dimethylallyltransferase inhibitors ChEBI dimethylallyltranstransferase (EC 2.5.1.1) inhibitor ChEBI dimethylallyltranstransferase (EC 2.5.1.1) inhibitors ChEBI dimethylallyltranstransferase inhibitor ChEBI dimethylallyltranstransferase inhibitors ChEBI diprenyltransferase inhibitor ChEBI diprenyltransferase inhibitors ChEBI geranyl pyrophosphate synthase inhibitor ChEBI geranyl pyrophosphate synthase inhibitors ChEBI geranyl pyrophosphate synthetase inhibitor ChEBI geranyl pyrophosphate synthetase inhibitors ChEBI geranyl-diphosphate synthase inhibitor ChEBI geranyl-diphosphate synthase inhibitors ChEBI prenyltransferase inhibitor ChEBI prenyltransferase inhibitors ChEBI trans-farnesyl pyrophosphate synthetase inhibitor ChEBI trans-farnesyl pyrophosphate synthetase inhibitors ChEBI An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. CHEBI:72497 Wikipedia:Osteoporosis chebi_ontology anti-osteopenia agent anti-osteopenia agents anti-osteopenia drug anti-osteopenia drugs anti-osteoporosis agent anti-osteoporosis agents anti-osteoporosis drug anti-osteoporosis drugs anti-osteoporotic anti-osteoporotic agent anti-osteoporotic agents anti-osteoporotic drug anti-osteoporotic drugs anti-osteoporotics antiosteoporotic antiosteoporotics bone density conservation agents bone density conservation drug bone density conservation drugs CHEBI:50646 bone density conservation agent anti-osteopenia agent ChEBI anti-osteopenia agents ChEBI anti-osteopenia drug ChEBI anti-osteopenia drugs ChEBI anti-osteoporosis agent ChEBI anti-osteoporosis agents ChEBI anti-osteoporosis drug ChEBI anti-osteoporosis drugs ChEBI anti-osteoporotic ChEBI anti-osteoporotic agent ChEBI anti-osteoporotic agents ChEBI anti-osteoporotic drug ChEBI anti-osteoporotic drugs ChEBI anti-osteoporotics ChEBI antiosteoporotic ChEBI antiosteoporotics ChEBI bone density conservation agents ChEBI bone density conservation drug ChEBI bone density conservation drugs ChEBI -1 C4H12NO7P2 InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-1 OGSPWJRAVKPPFI-UHFFFAOYSA-M 248.08870 248.00945 NCCCC(O)(P(O)(O)=O)P(O)([O-])=O LINCS:LSM-36378 hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate chebi_ontology CHEBI:50647 alendronate(1-) hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate IUPAC A retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry. 0 C20H28O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ SHGAZHPCJJPHSC-ZVCIMWCZSA-N 300.43512 300.20893 CC(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(O)=O CHEBI:63793 CAS:5300-03-8 DrugBank:DB00523 Drug_Central:3862 HMDB:HMDB0002369 KEGG:C15493 KEGG:D02815 LIPID_MAPS_instance:LMPR01090022 PMID:10684759 PMID:11978340 PMID:12611604 PMID:12882648 PMID:15217968 PMID:15292987 PMID:15519497 PMID:16144296 PMID:17019405 PMID:18400206 PMID:18404486 PMID:19678713 PMID:7670094 Reaxys:2057222 Wikipedia:Alitretinoin (9cis)-retinoic acid chebi_ontology (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid (7E,9Z,11E,13E)-retinoic acid 9(Z)-Retinoic acid 9-cis-Tretinoin Alitretinoin Panretin alitretinoina alitretinoine alitretinoinum CHEBI:50648 9-cis-retinoic acid CAS:5300-03-8 ChemIDplus CAS:5300-03-8 KEGG COMPOUND Drug_Central:3862 DrugCentral LIPID_MAPS_instance:LMPR01090022 LIPID MAPS PMID:10684759 Europe PMC PMID:11978340 Europe PMC PMID:12611604 Europe PMC PMID:12882648 Europe PMC PMID:15217968 Europe PMC PMID:15292987 Europe PMC PMID:15519497 Europe PMC PMID:16144296 Europe PMC PMID:17019405 Europe PMC PMID:18400206 Europe PMC PMID:18404486 Europe PMC PMID:19678713 Europe PMC PMID:7670094 Europe PMC Reaxys:2057222 Reaxys (9cis)-retinoic acid IUPAC (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid IUPAC (7E,9Z,11E,13E)-retinoic acid ChEBI 9(Z)-Retinoic acid ChemIDplus 9-cis-Tretinoin ChemIDplus Alitretinoin KEGG_DRUG Panretin DrugBank alitretinoina ChEBI alitretinoine ChEBI alitretinoinum ChEBI A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. 0 C31H44N2O5S InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3 ZQTNQVWKHCQYLQ-UHFFFAOYSA-N 556.75754 556.29709 CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12 CAS:141626-36-0 Drug_Central:4112 KEGG:D02537 PMID:23338943 PMID:24084222 PMID:24486334 Patent:EP2684564 Patent:MX2013006564 Reaxys:8176529 Wikipedia:Dronedarone N-[2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl]methanesulfonamide chebi_ontology Multaq N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-methanesulfonamide N-(2-butyl-3-(p-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)methanesulfonamide SR 33589 SR 33589B dronedarone CHEBI:50659 dronedarone CAS:141626-36-0 ChemIDplus Drug_Central:4112 DrugCentral PMID:23338943 Europe PMC PMID:24084222 Europe PMC PMID:24486334 Europe PMC Reaxys:8176529 Reaxys N-[2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl]methanesulfonamide IUPAC Multaq ChemIDplus N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-methanesulfonamide ChemIDplus N-(2-butyl-3-(p-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)methanesulfonamide ChemIDplus SR 33589 ChemIDplus SR 33589B ChemIDplus dronedarone KEGG_DRUG A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones. Wikipedia:Antithyroid_agent chebi_ontology antithyroid agent antithyroid agents antithyroid drugs CHEBI:50671 antithyroid drug antithyroid agent ChEBI antithyroid agents ChEBI antithyroid drugs ChEBI -1 C20H21N8O5 InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p-1/t13-/m0/s1 FBOZXECLQNJBKD-ZDUSSCGKSA-M 453.43166 453.16404 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O Beilstein:5197927 (2S)-4-carboxy-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)butanoate chebi_ontology CHEBI:50680 methotrexate(1-) Beilstein:5197927 Beilstein (2S)-4-carboxy-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)butanoate IUPAC -2 C20H20N8O5 InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p-2/t13-/m0/s1 FBOZXECLQNJBKD-ZDUSSCGKSA-L 452.42372 452.15676 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O Beilstein:6081035 (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate chebi_ontology methotrexate CHEBI:50681 methotrexate(2-) Beilstein:6081035 Beilstein (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate IUPAC methotrexate UniProt An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3). Wikipedia:Dihydrofolate_reductase_inhibitor chebi_ontology 7,8-dihydrofolate reductase inhibitor 7,8-dihydrofolate reductase inhibitors DHFR inhibitor DHFR inhibitors EC 1.5.1.3 (dihydrofolate reductase) inhibitors EC 1.5.1.3 inhibitor EC 1.5.1.3 inhibitors NADPH-dihydrofolate reductase inhibitor NADPH-dihydrofolate reductase inhibitors dihydrofolate reductase (EC 1.5.1.3) inhibitor dihydrofolate reductase (EC 1.5.1.3) inhibitors dihydrofolate reductase inhibitor dihydrofolate reductase inhibitors dihydrofolic acid reductase inhibitor dihydrofolic acid reductase inhibitors dihydrofolic reductase inhibitor dihydrofolic reductase inhibitors folic acid reductase inhibitor folic acid reductase inhibitors folic reductase inhibitor folic reductase inhibitors tetrahydrofolate dehydrogenase inhibitor tetrahydrofolate dehydrogenase inhibitors CHEBI:50683 EC 1.5.1.3 (dihydrofolate reductase) inhibitor 7,8-dihydrofolate reductase inhibitor ChEBI 7,8-dihydrofolate reductase inhibitors ChEBI DHFR inhibitor ChEBI DHFR inhibitors ChEBI EC 1.5.1.3 (dihydrofolate reductase) inhibitors ChEBI EC 1.5.1.3 inhibitor ChEBI EC 1.5.1.3 inhibitors ChEBI NADPH-dihydrofolate reductase inhibitor ChEBI NADPH-dihydrofolate reductase inhibitors ChEBI dihydrofolate reductase (EC 1.5.1.3) inhibitor ChEBI dihydrofolate reductase (EC 1.5.1.3) inhibitors ChEBI dihydrofolate reductase inhibitor ChEBI dihydrofolate reductase inhibitors ChEBI dihydrofolic acid reductase inhibitor ChEBI dihydrofolic acid reductase inhibitors ChEBI dihydrofolic reductase inhibitor ChEBI dihydrofolic reductase inhibitors ChEBI folic acid reductase inhibitor ChEBI folic acid reductase inhibitors ChEBI folic reductase inhibitor ChEBI folic reductase inhibitors ChEBI tetrahydrofolate dehydrogenase inhibitor ChEBI tetrahydrofolate dehydrogenase inhibitors ChEBI A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified. chebi_ontology cross-linking reagents CHEBI:50684 cross-linking reagent cross-linking reagents ChEBI A drug used to treat trichomonas infections. chebi_ontology antitrichomonal agent CHEBI:50685 antitrichomonal drug antitrichomonal agent ChEBI An organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio. 0 (C33H34FN2O5)2.Ca C66H68CaF2N4O10 InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1 FQCKMBLVYCEXJB-MNSAWQCASA-L 1155.34189 1154.45294 [Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O CAS:134523-03-8 DrugBank:DB01076 KEGG:D00887 Reaxys:5373842 calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} chebi_ontology Atorvastan Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2) Lipitor Liprimar CHEBI:50686 atorvastatin calcium CAS:134523-03-8 ChemIDplus Reaxys:5373842 Reaxys calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} IUPAC Atorvastan DrugBank Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2) ChemIDplus Lipitor DrugBank Liprimar DrugBank A substance used either in the prevention or facilitation of pregnancy. chebi_ontology reproductive control agent reproductive control drugs CHEBI:50689 reproductive control drug reproductive control agent ChEBI reproductive control drugs ChEBI -1 C33H34FN2O5 InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1 XUKUURHRXDUEBC-KAYWLYCHSA-M 557.63194 557.24572 CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate chebi_ontology CHEBI:50690 atorvastatin(1-) (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate IUPAC A chemical substance that interrupts pregnancy after implantation. Wikipedia:Abortifacient chebi_ontology abortifacient agent abortifacient agents abortifacient drug abortifacient drugs abortifacients CHEBI:50691 abortifacient abortifacient agent ChEBI abortifacient agents ChEBI abortifacient drug ChEBI abortifacient drugs ChEBI abortifacients ChEBI A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues. oligosaccharide http://langual.org CHEBI:25679 CHEBI:35319 CHEBI:7758 KEGG:C00930 http://www.langual.org/langual_thesaurus.asp?termid=C0226 Oligosaccharide oligosaccharides chebi_ontology O-glycosylglycoside O-glycosylglycosides oligosacarido oligosacaridos CHEBI:50699 LanguaL term definition: Complex carbohydrate with molecules composed of three to ten saccharide units (specifically dextrin). May be slightly sweet to the taste. oligosaccharide Oligosaccharide KEGG_COMPOUND oligosaccharides IUPAC O-glycosylglycoside ChEBI O-glycosylglycosides ChEBI oligosacarido ChEBI oligosacaridos IUPAC The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. 0 C15H12O2 InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 ZONYXWQDUYMKFB-UHFFFAOYSA-N 224.25458 224.08373 O=C1CC(Oc2ccccc12)c1ccccc1 Beilstein:183227 Beilstein:85290 CAS:487-26-3 KEGG:C00766 LINCS:LSM-1283 MetaCyc:FLAVANONES Reaxys:85290 2-phenyl-2,3-dihydro-4H-chromen-4-one Flavanone flavanone chebi_ontology 2,3-Dihydroflavone 2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one 2-phenyl-4-chromanone 2-phenylchroman-4-one CHEBI:5070 flavanone flavanone A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. chebi_ontology Dietary Supplement Food Supplementation Nutritional supplement CHEBI:50733 nutraceutical Dietary Supplement ChEBI Food Supplementation ChEBI Nutritional supplement ChEBI A compound that interacts with progesterone receptors in target tissues to bring about effects similar to those of progesterone. chebi_ontology gestagen gestagens progestagen progestagens progestogens CHEBI:50745 progestogen gestagen ChEBI gestagens ChEBI progestagen ChEBI progestagens ChEBI progestogens ChEBI A drug used to treat psoriasis. chebi_ontology antipsoriatic agent antipsoriatic drug CHEBI:50748 antipsoriatic antipsoriatic agent ChEBI antipsoriatic drug ChEBI A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. CHEBI:132229 CHEBI:50234 chebi_ontology DNA gyrase inhibitor DNA gyrase inhibitors DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors DNA topoisomerase (ATP-hydrolysing) inhibitor DNA topoisomerase (ATP-hydrolysing) inhibitors DNA topoisomerase II inhibitor DNA topoisomerase II inhibitors EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors EC 5.99.1.3 inhibitor EC 5.99.1.3 inhibitors inhibitor of type II topoisomerase inhibitors of type II topoisomerase topoisomerase II inhibitor topoisomerase II inhibitors topoisomerase-II inhibitor topoisomerase-II inhibitors type II DNA topoisomerase inhibitor type II DNA topoisomerase inhibitors CHEBI:50750 EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor DNA gyrase inhibitor ChEBI DNA gyrase inhibitors ChEBI DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor ChEBI DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors ChEBI DNA topoisomerase (ATP-hydrolysing) inhibitor ChEBI DNA topoisomerase (ATP-hydrolysing) inhibitors ChEBI DNA topoisomerase II inhibitor ChEBI DNA topoisomerase II inhibitors ChEBI EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor ChEBI EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors ChEBI EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors ChEBI EC 5.99.1.3 inhibitor ChEBI EC 5.99.1.3 inhibitors ChEBI inhibitor of type II topoisomerase ChEBI inhibitors of type II topoisomerase ChEBI topoisomerase II inhibitor ChEBI topoisomerase II inhibitors ChEBI topoisomerase-II inhibitor ChEBI topoisomerase-II inhibitors ChEBI type II DNA topoisomerase inhibitor ChEBI type II DNA topoisomerase inhibitors ChEBI Any 1-benzopyran with an aryl substituent at position 3. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. MetaCyc:Isoflavonoids Wikipedia:Isoflavonoid chebi_ontology 3-aryl-1-benzopyran 3-aryl-1-benzopyrans isoflavonoids CHEBI:50753 isoflavonoid isoflavonoid A drug which increases appetite. Wikipedia:Appetite_stimulants chebi_ontology appetite enhancing drug appetite stimulant orexigenic CHEBI:50779 appetite enhancer appetite enhancing drug ChEBI appetite stimulant ChEBI orexigenic ChEBI An agent which regulates the physiologic mechanisms that control the appetite and food intake. chebi_ontology appetite regulators CHEBI:50780 appetite regulator appetite regulators ChEBI A carboxylic ester of pivalic acid. 0 C5H9O2R 101.124 101.06025 C(C(C)(C)C)(=O)O* pivalate ester chebi_ontology 2,2-dimethylpropanoate ester 2,2-dimethylpropanoate esters 2,2-dimethylpropionate ester 2,2-dimethylpropionate esters pivalate esters trimethylacetate ester trimethylacetate esters CHEBI:50784 pivalate ester pivalate ester ChEBI 2,2-dimethylpropanoate ester ChEBI 2,2-dimethylpropanoate esters ChEBI 2,2-dimethylpropionate ester ChEBI 2,2-dimethylpropionate esters ChEBI pivalate esters ChEBI trimethylacetate ester ChEBI trimethylacetate esters ChEBI An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones. Wikipedia:Aromatase_inhibitor chebi_ontology EC 1.14.14.14 (aromatase) inhibitors EC 1.14.14.14 inhibitor EC 1.14.14.14 inhibitors aromatase (EC 1.14.14.14) inhibitor aromatase (EC 1.14.14.14) inhibitors aromatase inhibitor aromatase inhibitors estrogen synthase inhibitor estrogen synthase inhibitors estrogen synthetase inhibitor estrogen synthetase inhibitors oestrogen synthase inhibitor oestrogen synthase inhibitors oestrogen synthetase inhibitor oestrogen synthetase inhibitors CHEBI:50790 EC 1.14.14.14 (aromatase) inhibitor EC 1.14.14.14 (aromatase) inhibitors ChEBI EC 1.14.14.14 inhibitor ChEBI EC 1.14.14.14 inhibitors ChEBI aromatase (EC 1.14.14.14) inhibitor ChEBI aromatase (EC 1.14.14.14) inhibitors ChEBI aromatase inhibitor ChEBI aromatase inhibitors ChEBI estrogen synthase inhibitor ChEBI estrogen synthase inhibitors ChEBI estrogen synthetase inhibitor ChEBI estrogen synthetase inhibitors ChEBI oestrogen synthase inhibitor ChEBI oestrogen synthase inhibitors ChEBI oestrogen synthetase inhibitor ChEBI oestrogen synthetase inhibitors ChEBI A nanometre sized object. chebi_ontology nanoestructura CHEBI:50795 nanostructure nanoestructura ChEBI A nanosized spherical or capsule-shaped structure. chebi_ontology NP Nanoteilchen nanoparticles nanoparticula nanoparticule CHEBI:50803 nanoparticle NP ChEBI Nanoteilchen ChEBI nanoparticles ChEBI nanoparticula ChEBI nanoparticule ChEBI chebi_ontology CHEBI:50816 iron oxide chebi_ontology iron oxide minerals CHEBI:50817 iron oxide mineral iron oxide minerals ChEBI 0 Fe2O3 159.689 159.85462 CAS:1317-60-8 KEGG:C19555 hematite chebi_ontology Blutstein Haematit blood stone haematite hematita oligist oligiste CHEBI:50818 hematite CAS:1317-60-8 ChemIDplus CAS:1317-60-8 KEGG COMPOUND hematite ChEBI Blutstein ChEBI Haematit ChEBI blood stone ChemIDplus haematite ChEBI hematita ChEBI oligist ChemIDplus oligiste ChEBI 0 Fe2O3 InChI=1S/2Fe.3O JEIPFZHSYJVQDO-UHFFFAOYSA-N 159.68820 159.85462 O=[Fe]O[Fe]=O CAS:1309-37-1 Drug_Central:4443 Gmelin:11092 KEGG:C19424 KEGG:D04168 diiron trioxide iron(3+) oxide iron(III) oxide chebi_ontology Eisen(III)-oxid Eisentrioxid iron trioxide CHEBI:50819 ferric oxide CAS:1309-37-1 ChemIDplus CAS:1309-37-1 KEGG COMPOUND CAS:1309-37-1 NIST Chemistry WebBook Drug_Central:4443 DrugCentral Gmelin:11092 Gmelin diiron trioxide IUPAC iron(3+) oxide IUPAC iron(III) oxide IUPAC Eisen(III)-oxid ChEBI Eisentrioxid ChEBI iron trioxide ChemIDplus A steroid which is substituted with one or more fluorine atoms in any position. chebi_ontology fluorinated steroids CHEBI:50830 fluorinated steroid fluorinated steroids ChEBI A pyridazinone that is pyridazin-3(2H)-one which is substituted at positions 2, 4, and 5 by m-(trifluoromethyl)phenyl, chloro, and methylamino groups, respectively. A pre-emergence herbicide used to control grasses and broad-leafed weeds in a variety of crops. Not approved for use within the European Union. 0 C12H9ClF3N3O InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3 NVGOPFQZYCNLDU-UHFFFAOYSA-N 303.668 303.03862 C(C1=CC(=CC=C1)N2C(C(=C(C=N2)NC)Cl)=O)(F)(F)F Beilstein:757115 CAS:27314-13-2 KEGG:C18874 PDBeChem:NRF PMID:16659463 PMID:24936791 PMID:26735720 PPDB:486 Patent:BE712832 Patent:US3644355 Pesticides:norflurazon 4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one chebi_ontology 4-chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone 4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone SAN 9789 Solicam Zorial CHEBI:50842 norflurazon Beilstein:757115 Beilstein CAS:27314-13-2 Alan Wood's Pesticides CAS:27314-13-2 ChemIDplus CAS:27314-13-2 KEGG COMPOUND CAS:27314-13-2 NIST Chemistry WebBook PMID:16659463 Europe PMC PMID:24936791 Europe PMC PMID:26735720 Europe PMC Pesticides:norflurazon Alan Wood's Pesticides 4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one IUPAC 4-chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone NIST_Chemistry_WebBook 4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone NIST_Chemistry_WebBook SAN 9789 ChemIDplus Solicam ChemIDplus Zorial ChemIDplus A compound which inhibits or antagonizes the biosynthesis or actions of mineralocorticoids, a class of steroid hormones characterised by their similarity to aldosterone and their influence on salt and water balance. chebi_ontology CHEBI:50843 antimineralocorticoid chebi_ontology CHEBI:50844 aldosterone antagonist Biologically active substance whose activity affects or plays a role in the functioning of the immune system. Wikipedia:Immunotherapy chebi_ontology Biomodulator Immune factor Immunologic factor Immunological factor immunomodulators CHEBI:50846 immunomodulator Biomodulator ChEBI Immune factor ChEBI Immunologic factor ChEBI Immunological factor ChEBI immunomodulators ChEBI A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. Wikipedia:Immunologic_adjuvant chebi_ontology Immunoactivator Immunoadjuvant Immunologic adjuvant Immunopotentiator Immunostimulant CHEBI:50847 immunological adjuvant Immunoactivator ChEBI Immunoadjuvant ChEBI Immunologic adjuvant ChEBI Immunopotentiator ChEBI Immunostimulant ChEBI A cardiovascular drug that prevents atherogenesis, the accumulation of lipid-containing plaques on the innermost layers of the arteries. Compare with antiatherosclerotic agent. PMID:14592471 PMID:16366593 PMID:17990280 PMID:20222342 PMID:21074432 PMID:21172387 PMID:21649483 PMID:3288054 PMID:9796331 antiatherogenic agent chebi_ontology anti-atherogenic agent anti-atherogenic agents anti-atherogenic drug anti-atherogenic drugs antiatherogenic agents antiatherogenic drug antiatherogenic drugs CHEBI:50855 antiatherogenic agent PMID:14592471 Europe PMC PMID:16366593 Europe PMC PMID:17990280 Europe PMC PMID:20222342 Europe PMC PMID:21074432 Europe PMC PMID:21172387 Europe PMC PMID:21649483 Europe PMC PMID:3288054 Europe PMC PMID:9796331 Europe PMC antiatherogenic agent ChEBI anti-atherogenic agent ChEBI anti-atherogenic agents ChEBI anti-atherogenic drug ChEBI anti-atherogenic drugs ChEBI antiatherogenic agents ChEBI antiatherogenic drug ChEBI antiatherogenic drugs ChEBI A drug used to treat allergic reactions. chebi_ontology anti-allergic agents anti-allergic drug anti-allergic drugs CHEBI:50857 anti-allergic agent anti-allergic agents ChEBI anti-allergic drug ChEBI anti-allergic drugs ChEBI A natural or synthetic analogue of the hormones secreted by the adrenal gland. chebi_ontology corticoides corticosteroides corticosteroids CHEBI:50858 corticosteroid corticoides ChEBI corticosteroides ChEBI corticosteroids ChEBI Any molecular entity that contains carbon. CHEBI:25700 CHEBI:33244 chebi_ontology organic compounds organic entity organic molecular entities CHEBI:50860 organic molecular entity organic compounds ChEBI organic entity ChEBI organic molecular entities ChEBI A compound derived from an arene by replacing a hydrogen atom with a halogen atom. chebi_ontology aryl halide aryl halides haloarenes CHEBI:50887 haloarene aryl halide ChEBI aryl halides ChEBI haloarenes ChEBI chebi_ontology azaarenes CHEBI:50893 azaarene azaarenes ChEBI A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. Wikipedia:Genotoxicity chebi_ontology genotoxic agent genotoxic agents genotoxins CHEBI:50902 genotoxin genotoxic agent ChEBI genotoxic agents ChEBI genotoxins ChEBI A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. chebi_ontology agente carcinogeno cancerigene cancerogene carcinogen carcinogene carcinogenic agents carcinogeno carcinogens CHEBI:50903 carcinogenic agent agente carcinogeno ChEBI cancerigene ChEBI cancerogene ChEBI carcinogen ChEBI carcinogene ChEBI carcinogenic agents ChEBI carcinogeno ChEBI carcinogens ChEBI A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Wikipedia:Allergen chebi_ontology alergeno allergene allergenic agent CHEBI:50904 allergen alergeno ChEBI allergene ChEBI allergenic agent ChEBI A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. chebi_ontology agent teratogene teratogen teratogeno CHEBI:50905 teratogenic agent agent teratogene ChEBI teratogen ChEBI teratogeno ChEBI role (CHEBI) A role is particular behaviour which a material entity may exhibit. chebi_ontology CHEBI:50906 role A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. chebi_ontology agente hepatotoxico hepatotoxic agents hepatotoxicant hepatotoxicants hepatotoxin hepatotoxins hepatoxic agent hepatoxicant CHEBI:50908 hepatotoxic agent agente hepatotoxico ChEBI hepatotoxic agents ChEBI hepatotoxicant ChEBI hepatotoxicants ChEBI hepatotoxin ChEBI hepatotoxins ChEBI hepatoxic agent ChEBI hepatoxicant ChEBI A role played by a chemical compound exihibiting itself through the ability to induce damage to the kidney in animals. chebi_ontology agente nefrotoxico nephrotoxicant CHEBI:50909 nephrotoxic agent agente nefrotoxico ChEBI nephrotoxicant ChEBI A poison that interferes with the functions of the nervous system. CHEBI:50911 Wikipedia:Neurotoxin chebi_ontology agente neurotoxico nerve poison nerve poisons neurotoxic agent neurotoxic agents neurotoxicant neurotoxins CHEBI:50910 neurotoxin agente neurotoxico ChEBI nerve poison ChEBI nerve poisons ChEBI neurotoxic agent ChEBI neurotoxic agents ChEBI neurotoxicant ChEBI neurotoxins ChEBI Any compound used for the purpose of preserving biological tissues from decay in such a way as to allow for the preparation of thin, stained sections for subsequent histological study. Wikipedia:Fixation_(histology) chebi_ontology fixating agent fixating agents fixation agent CHEBI:50913 fixative fixating agent ChEBI fixating agents ChEBI fixation agent ChEBI An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol. chebi_ontology 1-phosphatidylinositol 3-kinase inhibitor 1-phosphatidylinositol 3-kinase inhibitors ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase inhibitor ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase inhibitors EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitors EC 2.7.1.137 inhibitor EC 2.7.1.137 inhibitors PI(3)K inhibitor PI(3)K inhibitors PI-3 kinase inhibitor PI-3 kinase inhibitors PI3-kinase inhibitor PI3-kinase inhibitors PI3K inhibitor PI3K inhibitors PtdIns-3-kinase inhibitor PtdIns-3-kinase inhibitors Vps34p inhibitor Vps34p inhibitors phosphatidylinositol 3-kinase (EC 2.7.1.137) inhibitor phosphatidylinositol 3-kinase (EC 2.7.1.137) inhibitors phosphatidylinositol 3-kinase inhibitor phosphatidylinositol 3-kinase inhibitors phosphatidylinositol-3-OH kinase inhibitor phosphatidylinositol-3-OH kinase inhibitors phosphoinositide 3-kinase inhibitor phosphoinositide 3-kinase inhibitors type I phosphatidylinositol kinase inhibitor type I phosphatidylinositol kinase inhibitors type III phosphoinositide 3-kinase inhibitor type III phosphoinositide 3-kinase inhibitors CHEBI:50914 EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor 1-phosphatidylinositol 3-kinase inhibitor ChEBI 1-phosphatidylinositol 3-kinase inhibitors ChEBI ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase inhibitor ChEBI ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase inhibitors ChEBI EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitors ChEBI EC 2.7.1.137 inhibitor ChEBI EC 2.7.1.137 inhibitors ChEBI PI(3)K inhibitor ChEBI PI(3)K inhibitors ChEBI PI-3 kinase inhibitor ChEBI PI-3 kinase inhibitors ChEBI PI3-kinase inhibitor ChEBI PI3-kinase inhibitors ChEBI PI3K inhibitor ChEBI PI3K inhibitors ChEBI PtdIns-3-kinase inhibitor ChEBI PtdIns-3-kinase inhibitors ChEBI Vps34p inhibitor ChEBI Vps34p inhibitors ChEBI phosphatidylinositol 3-kinase (EC 2.7.1.137) inhibitor ChEBI phosphatidylinositol 3-kinase (EC 2.7.1.137) inhibitors ChEBI phosphatidylinositol 3-kinase inhibitor ChEBI phosphatidylinositol 3-kinase inhibitors ChEBI phosphatidylinositol-3-OH kinase inhibitor ChEBI phosphatidylinositol-3-OH kinase inhibitors ChEBI phosphoinositide 3-kinase inhibitor ChEBI phosphoinositide 3-kinase inhibitors ChEBI type I phosphatidylinositol kinase inhibitor ChEBI type I phosphatidylinositol kinase inhibitors ChEBI type III phosphoinositide 3-kinase inhibitor ChEBI type III phosphoinositide 3-kinase inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of lipid kinases. chebi_ontology lipid kinase inhibitors CHEBI:50916 lipid kinase inhibitor lipid kinase inhibitors ChEBI A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors. Wikipedia:Antiemetic chebi_ontology anti-emetic anti-emetics antiemetico antiemetics CHEBI:50919 antiemetic anti-emetic ChEBI anti-emetics ChEBI antiemetico ChEBI antiemetics ChEBI An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine. CHEBI:75764 chebi_ontology A-kinase inhibitor A-kinase inhibitors AP50 kinase inhibitor AP50 kinase inhibitors ATP-protein transphosphorylase inhibitor ATP-protein transphosphorylase inhibitors ATP:protein phosphotransferase (non-specific) inhibitor ATP:protein phosphotransferase (non-specific) inhibitors BR serine/threonine-protein kinase 2 inhibitor BR serine/threonine-protein kinase 2 inhibitors CK-2 inhibitor CK-2 inhibitors CKI inhibitor CKI inhibitors CKII inhibitor CKII inhibitors EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors EC 2.7.11.1 inhibitor EC 2.7.11.1 inhibitors HIPK2 inhibitor HIPK2 inhibitors Hpr kinase inhibitor Hpr kinase inhibitors M phase-specific cdc2 kinase inhibitor M phase-specific cdc2 kinase inhibitors MKNK2 inhibitor MKNK2 inhibitors PAK-1 inhibitor PAK-1 inhibitors PAK1 inhibitor PAK1 inhibitors PKA inhibitor PKA inhibitors Prp4 protein kinase inhibitor Prp4 protein kinase inhibitors Raf kinase inhibitor Raf kinase inhibitors Raf-1 inhibitor Raf-1 inhibitors STK32 inhibitor STK32 inhibitors T-antigen kinase inhibitor T-antigen kinase inhibitors WEE1Hu inhibitor WEE1Hu inhibitors Wee 1-like kinase inhibitor Wee 1-like kinase inhibitors Wee-kinase inhibitor Wee-kinase inhibitors betaIIPKC inhibitor betaIIPKC inhibitors cAMP-dependent protein kinase A inhibitor cAMP-dependent protein kinase A inhibitors cAMP-dependent protein kinase inhibitor cAMP-dependent protein kinase inhibitors cGMP-dependent protein kinase inhibitor cGMP-dependent protein kinase inhibitors calcium-dependent protein kinase C inhibitor calcium-dependent protein kinase C inhibitors calcium/phospholipid-dependent protein kinase inhibitor calcium/phospholipid-dependent protein kinase inhibitors casein kinase (phosphorylating) inhibitor casein kinase (phosphorylating) inhibitors casein kinase 2 inhibitor casein kinase 2 inhibitors casein kinase I inhibitor casein kinase I inhibitors casein kinase II inhibitor casein kinase II inhibitors casein kinase inhibitor casein kinase inhibitors cyclic AMP-dependent protein kinase A inhibitor cyclic AMP-dependent protein kinase A inhibitors cyclic AMP-dependent protein kinase inhibitor cyclic AMP-dependent protein kinase inhibitors cyclic monophosphate-dependent protein kinase inhibitor cyclic monophosphate-dependent protein kinase inhibitors cyclic nucleotide-dependent protein kinase inhibitor cyclic nucleotide-dependent protein kinase inhibitors cyclin-dependent kinase inhibitor cyclin-dependent kinase inhibitors dsk1 inhibitor dsk1 inhibitors epsilon PKC inhibitor epsilon PKC inhibitors glycogen synthase a kinase inhibitor glycogen synthase a kinase inhibitors glycogen synthase kinase inhibitor glycogen synthase kinase inhibitors hydroxyalkyl-protein kinase inhibitor hydroxyalkyl-protein kinase inhibitors mitogen-activated S6 kinase inhibitor mitogen-activated S6 kinase inhibitors non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitor non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitors non-specific serine/threonine protein kinase inhibitor non-specific serine/threonine protein kinase inhibitors p21 activated kinase-1 inhibitor p21 activated kinase-1 inhibitors p82 kinase inhibitor p82 kinase inhibitors phosphorylase b kinase kinase inhibitor phosphorylase b kinase kinase inhibitors protein glutamyl kinase inhibitor protein glutamyl kinase inhibitors protein kinase (phosphorylating) inhibitor protein kinase (phosphorylating) inhibitors protein kinase A inhibitor protein kinase A inhibitors protein kinase CK2 inhibitor protein kinase CK2 inhibitors protein kinase p58 inhibitor protein kinase p58 inhibitors protein phosphokinase inhibitor protein phosphokinase inhibitors protein serine kinase inhibitor protein serine kinase inhibitors protein serine-threonine kinase inhibitor protein serine-threonine kinase inhibitors protein-aspartyl kinase inhibitor protein-aspartyl kinase inhibitors protein-cysteine kinase inhibitor protein-cysteine kinase inhibitors protein-serine kinase inhibitor protein-serine kinase inhibitors protein-serine/threonine kinase inhibitors ribosomal S6 protein kinase inhibitor ribosomal S6 protein kinase inhibitors ribosomal protein S6 kinase II inhibitor ribosomal protein S6 kinase II inhibitors serine kinase inhibitor serine kinase inhibitors serine protein kinase inhibitor serine protein kinase inhibitors serine(threonine) protein kinase inhibitor serine(threonine) protein kinase inhibitors serine-specific protein kinase inhibitor serine-specific protein kinase inhibitors serine/threonine protein kinase inhibitor serine/threonine protein kinase inhibitors threonine-specific protein kinase inhibitor threonine-specific protein kinase inhibitors twitchin kinase inhibitor twitchin kinase inhibitors type-2 casein kinase inhibitor type-2 casein kinase inhibitors CHEBI:50925 EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor A-kinase inhibitor ChEBI A-kinase inhibitors ChEBI AP50 kinase inhibitor ChEBI AP50 kinase inhibitors ChEBI ATP-protein transphosphorylase inhibitor ChEBI ATP-protein transphosphorylase inhibitors ChEBI ATP:protein phosphotransferase (non-specific) inhibitor ChEBI ATP:protein phosphotransferase (non-specific) inhibitors ChEBI BR serine/threonine-protein kinase 2 inhibitor ChEBI BR serine/threonine-protein kinase 2 inhibitors ChEBI CK-2 inhibitor ChEBI CK-2 inhibitors ChEBI CKI inhibitor ChEBI CKI inhibitors ChEBI CKII inhibitor ChEBI CKII inhibitors ChEBI EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors ChEBI EC 2.7.11.1 inhibitor ChEBI EC 2.7.11.1 inhibitors ChEBI HIPK2 inhibitor ChEBI HIPK2 inhibitors ChEBI Hpr kinase inhibitor ChEBI Hpr kinase inhibitors ChEBI M phase-specific cdc2 kinase inhibitor ChEBI M phase-specific cdc2 kinase inhibitors ChEBI MKNK2 inhibitor ChEBI MKNK2 inhibitors ChEBI PAK-1 inhibitor ChEBI PAK-1 inhibitors ChEBI PAK1 inhibitor ChEBI PAK1 inhibitors ChEBI PKA inhibitor ChEBI PKA inhibitors ChEBI Prp4 protein kinase inhibitor ChEBI Prp4 protein kinase inhibitors ChEBI Raf kinase inhibitor ChEBI Raf kinase inhibitors ChEBI Raf-1 inhibitor ChEBI Raf-1 inhibitors ChEBI STK32 inhibitor ChEBI STK32 inhibitors ChEBI T-antigen kinase inhibitor ChEBI T-antigen kinase inhibitors ChEBI WEE1Hu inhibitor ChEBI WEE1Hu inhibitors ChEBI Wee 1-like kinase inhibitor ChEBI Wee 1-like kinase inhibitors ChEBI Wee-kinase inhibitor ChEBI Wee-kinase inhibitors ChEBI betaIIPKC inhibitor ChEBI betaIIPKC inhibitors ChEBI cAMP-dependent protein kinase A inhibitor ChEBI cAMP-dependent protein kinase A inhibitors ChEBI cAMP-dependent protein kinase inhibitor ChEBI cAMP-dependent protein kinase inhibitors ChEBI cGMP-dependent protein kinase inhibitor ChEBI cGMP-dependent protein kinase inhibitors ChEBI calcium-dependent protein kinase C inhibitor ChEBI calcium-dependent protein kinase C inhibitors ChEBI calcium/phospholipid-dependent protein kinase inhibitor ChEBI calcium/phospholipid-dependent protein kinase inhibitors ChEBI casein kinase (phosphorylating) inhibitor ChEBI casein kinase (phosphorylating) inhibitors ChEBI casein kinase 2 inhibitor ChEBI casein kinase 2 inhibitors ChEBI casein kinase I inhibitor ChEBI casein kinase I inhibitors ChEBI casein kinase II inhibitor ChEBI casein kinase II inhibitors ChEBI casein kinase inhibitor ChEBI casein kinase inhibitors ChEBI cyclic AMP-dependent protein kinase A inhibitor ChEBI cyclic AMP-dependent protein kinase A inhibitors ChEBI cyclic AMP-dependent protein kinase inhibitor ChEBI cyclic AMP-dependent protein kinase inhibitors ChEBI cyclic monophosphate-dependent protein kinase inhibitor ChEBI cyclic monophosphate-dependent protein kinase inhibitors ChEBI cyclic nucleotide-dependent protein kinase inhibitor ChEBI cyclic nucleotide-dependent protein kinase inhibitors ChEBI cyclin-dependent kinase inhibitor ChEBI cyclin-dependent kinase inhibitors ChEBI dsk1 inhibitor ChEBI dsk1 inhibitors ChEBI epsilon PKC inhibitor ChEBI epsilon PKC inhibitors ChEBI glycogen synthase a kinase inhibitor ChEBI glycogen synthase a kinase inhibitors ChEBI glycogen synthase kinase inhibitor ChEBI glycogen synthase kinase inhibitors ChEBI hydroxyalkyl-protein kinase inhibitor ChEBI hydroxyalkyl-protein kinase inhibitors ChEBI mitogen-activated S6 kinase inhibitor ChEBI mitogen-activated S6 kinase inhibitors ChEBI non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitor ChEBI non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitors ChEBI non-specific serine/threonine protein kinase inhibitor ChEBI non-specific serine/threonine protein kinase inhibitors ChEBI p21 activated kinase-1 inhibitor ChEBI p21 activated kinase-1 inhibitors ChEBI p82 kinase inhibitor ChEBI p82 kinase inhibitors ChEBI phosphorylase b kinase kinase inhibitor ChEBI phosphorylase b kinase kinase inhibitors ChEBI protein glutamyl kinase inhibitor ChEBI protein glutamyl kinase inhibitors ChEBI protein kinase (phosphorylating) inhibitor ChEBI protein kinase (phosphorylating) inhibitors ChEBI protein kinase A inhibitor ChEBI protein kinase A inhibitors ChEBI protein kinase CK2 inhibitor ChEBI protein kinase CK2 inhibitors ChEBI protein kinase p58 inhibitor ChEBI protein kinase p58 inhibitors ChEBI protein phosphokinase inhibitor ChEBI protein phosphokinase inhibitors ChEBI protein serine kinase inhibitor ChEBI protein serine kinase inhibitors ChEBI protein serine-threonine kinase inhibitor ChEBI protein serine-threonine kinase inhibitors ChEBI protein-aspartyl kinase inhibitor ChEBI protein-aspartyl kinase inhibitors ChEBI protein-cysteine kinase inhibitor ChEBI protein-cysteine kinase inhibitors ChEBI protein-serine kinase inhibitor ChEBI protein-serine kinase inhibitors ChEBI protein-serine/threonine kinase inhibitors ChEBI ribosomal S6 protein kinase inhibitor ChEBI ribosomal S6 protein kinase inhibitors ChEBI ribosomal protein S6 kinase II inhibitor ChEBI ribosomal protein S6 kinase II inhibitors ChEBI serine kinase inhibitor ChEBI serine kinase inhibitors ChEBI serine protein kinase inhibitor ChEBI serine protein kinase inhibitors ChEBI serine(threonine) protein kinase inhibitor ChEBI serine(threonine) protein kinase inhibitors ChEBI serine-specific protein kinase inhibitor ChEBI serine-specific protein kinase inhibitors ChEBI serine/threonine protein kinase inhibitor ChEBI serine/threonine protein kinase inhibitors ChEBI threonine-specific protein kinase inhibitor ChEBI threonine-specific protein kinase inhibitors ChEBI twitchin kinase inhibitor ChEBI twitchin kinase inhibitors ChEBI type-2 casein kinase inhibitor ChEBI type-2 casein kinase inhibitors ChEBI +1 C2H6N InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2/p+1 NOWKCMXCCJGMRR-UHFFFAOYSA-O 44.07578 44.04948 C1C[NH2+]1 Gmelin:322803 aziridinium chebi_ontology aziridinium ion CHEBI:50929 aziridinium Gmelin:322803 Gmelin aziridinium IUPAC aziridinium ion ChEBI Compounds containing an aziridine ring that contains a quaternary nitrogen atom. chebi_ontology aziridinium ions CHEBI:50946 aziridinium ion aziridinium ions ChEBI A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent. Wikipedia:Selective_serotonin_reuptake_inhibitor chebi_ontology SSRI serotonin reuptake inhibitor CHEBI:50949 serotonin uptake inhibitor SSRI ChEBI serotonin reuptake inhibitor ChEBI Arsonic acid and its As-hydrocarbyl derivatives. arsonic acids chebi_ontology CHEBI:50955 arsonic acids arsonic acids IUPAC chebi_ontology organoarsonic acid anions CHEBI:50956 organoarsonic acid anion organoarsonic acid anions ChEBI Systems consisting of two or more molecular entities held together by non-covalent interactions. chebi_ontology non-covalently-bound molecular entities CHEBI:50967 non-covalently-bound molecular entity non-covalently-bound molecular entities ChEBI A racemate that is the butyl ester of fluazifop. It is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops. 0 C19H20F3NO4 383.362 383.13444 AGR:IND44794938 AGR:IND92067685 CAS:69806-50-4 KEGG:C11029 PMID:1354971 PMID:26735732 PMID:2708288 PMID:8452479 Pesticides:derivatives/fluazifop-butyl Reaxys:1510062 rac-butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate chebi_ontology Fluazifop butyl Fusilade W butyl (RS)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate CHEBI:5097 fluazifop-butyl AGR:IND44794938 Europe PMC AGR:IND92067685 Europe PMC CAS:69806-50-4 Alan Wood's Pesticides CAS:69806-50-4 KEGG COMPOUND CAS:69806-50-4 NIST Chemistry WebBook PMID:1354971 Europe PMC PMID:26735732 Europe PMC PMID:2708288 Europe PMC PMID:8452479 Europe PMC Pesticides:derivatives/fluazifop-butyl Alan Wood's Pesticides Reaxys:1510062 Reaxys rac-butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate IUPAC Fluazifop butyl KEGG_COMPOUND Fusilade W NIST_Chemistry_WebBook butyl (RS)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate Alan_Wood's_Pesticides butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate Alan_Wood's_Pesticides 0 CH3NR2 29.04120 29.02655 [*]CN[*] secondary aliphatic amine chebi_ontology secondary aliphatic amines CHEBI:50981 secondary aliphatic amine secondary aliphatic amine ChEBI secondary aliphatic amines ChEBI A thiadiazolidine in which the 1,3-thiazolidine ring is substituted by two oxo groups. chebi_ontology CHEBI:50990 thiazolidinediones A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group. chebi_ontology primary amino compounds CHEBI:50994 primary amino compound primary amino compounds ChEBI A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. chebi_ontology secondary amino compounds CHEBI:50995 secondary amino compound secondary amino compounds ChEBI A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups. chebi_ontology tertiary amino compounds CHEBI:50996 tertiary amino compound tertiary amino compounds ChEBI chebi_ontology CHEBI:51002 bis(eta(5)-cyclopentadienyl)metal(II) Compounds containing a ferrocene skeleton. chebi_ontology CHEBI:51005 ferrocenes A cyclic compound containing nine or more atoms as part of the cyclic system. Wikipedia:Macrocycle macrocycle chebi_ontology Makrocyclen Makrozyklen macrocycles makrocyclische Verbindungen makrozyklische Verbindungen CHEBI:51026 macrocycle macrocycle IUPAC Makrocyclen ChEBI Makrozyklen ChEBI macrocycles ChEBI makrocyclische Verbindungen ChEBI makrozyklische Verbindungen ChEBI chebi_ontology organic calcium salts CHEBI:51031 organic calcium salt organic calcium salts ChEBI A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake. Wikipedia:Dopamine_uptake_inhibitor chebi_ontology DARI DRI dopamine reuptake inhibitor dopamine reuptake inhibitors dopamine uptake inhibitors CHEBI:51039 dopamine uptake inhibitor DARI ChEBI DRI ChEBI dopamine reuptake inhibitor ChEBI dopamine reuptake inhibitors ChEBI dopamine uptake inhibitors ChEBI An organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. 0 C5H11NO4S InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10) AFCGFAGUEYAMAO-UHFFFAOYSA-N 181.21118 181.04088 CC(=O)NCCCS(O)(=O)=O CAS:77337-76-9 DrugBank:DB00659 Drug_Central:38 KEGG:D07058 Reaxys:9618349 Wikipedia:Acamprosate 3-acetamidopropane-1-sulfonic acid chebi_ontology 3-Acetamido-1-propanesulfonic acid N-Acetylhomotaurine acamprosate acamprosato acamprosatum CHEBI:51041 acamprosate CAS:77337-76-9 ChemIDplus Drug_Central:38 DrugCentral Reaxys:9618349 Reaxys 3-acetamidopropane-1-sulfonic acid IUPAC 3-Acetamido-1-propanesulfonic acid DrugBank N-Acetylhomotaurine ChemIDplus acamprosate ChEBI acamprosato ChEBI acamprosatum ChEBI A nanoparticle consisting of titanium dioxide. 0 O2Ti 79.866 79.93778 chebi_ontology TiO2 nanoparticle CHEBI:51050 titanium dioxide nanoparticle TiO2 nanoparticle ChEBI A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. chebi_ontology CHEBI:51060 hormone agonist A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. chebi_ontology hormone receptor modulators CHEBI:51061 hormone receptor modulator hormone receptor modulators ChEBI chebi_ontology CHEBI:51067 tetraphenes chebi_ontology organic halide salts CHEBI:51069 organic halide salt organic halide salts ChEBI A compound that inhibits the growth of marine organisms. chebi_ontology Antifoulant Antifouling agent Marine pesticide CHEBI:51076 antifouling biocide Antifoulant ChEBI Antifouling agent ChEBI Marine pesticide ChEBI Any member of the class of nitrates resulting from the esterification of nitric acid with an alcohol. Wikipedia:Nitrate_ester chebi_ontology nitrate esters CHEBI:51080 nitrate ester nitrate esters ChEBI CHEBI:25544 chebi_ontology CHEBI:51081 nitrates nitrate salt inorganic nitrate salt A role played by the molecular entity or part thereof within a chemical context. chebi_ontology CHEBI:51086 chemical role chebi_ontology tricyclic hydrocarbons CHEBI:51119 tricyclic hydrocarbon tricyclic hydrocarbons ChEBI chebi_ontology fluorescent dyes CHEBI:51121 fluorescent dye fluorescent dyes ChEBI A C-nitro compound that is a hydrocarbon in which one or more of the hydrogens has been replaced by nitro groups. PMCID:PMC3909368 chebi_ontology nitrohydrocarbons CHEBI:51129 nitrohydrocarbon PMCID:PMC3909368 Europe PMC nitrohydrocarbons ChEBI A nitrohydrocarbon that consists of an arene skeleton substituted by one or more nitro groups at unspecified positions. chebi_ontology nitroarenes CHEBI:51132 nitroarene nitroarenes ChEBI nitrogen http://langual.org CHEBI:25556 CHEBI:7594 Codex::941 Europe::941 KEGG:C06061 http://www.langual.org/langual_thesaurus.asp?termid=B3173 chebi_ontology Nitrogenous compounds nitrogen compounds nitrogen molecular entities CHEBI:51143 LanguaL term definition: Food additive; technological purpose(s): packaging gas, propellant. nitrogen molecular entity Nitrogenous compounds KEGG_COMPOUND nitrogen compounds ChEBI nitrogen molecular entities ChEBI nitrogen group chebi_ontology nitrogen groups nitrogen-containing group nitrogenous group CHEBI:51144 nitrogen group nitrogen group ChEBI nitrogen groups ChEBI nitrogen-containing group ChEBI nitrogenous group ChEBI The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent. 0 C6H5F InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H PYLWMHQQBFSUBP-UHFFFAOYSA-N 96.10230 96.03753 Fc1ccccc1 Beilstein:1236623 CAS:462-06-6 Gmelin:49856 KEGG:C11272 PMID:22976426 PMID:24060903 Patent:CN101224914 Patent:US4390740 Reaxys:1236623 Wikipedia:Fluorobenzene fluorobenzene monofluorobenzene chebi_ontology Fluorbenzol Fluorobenzene phenyl fluoride CHEBI:5115 monofluorobenzene Beilstein:1236623 Beilstein CAS:462-06-6 ChemIDplus CAS:462-06-6 KEGG COMPOUND CAS:462-06-6 NIST Chemistry WebBook Gmelin:49856 Gmelin PMID:22976426 Europe PMC PMID:24060903 Europe PMC Reaxys:1236623 Reaxys fluorobenzene IUPAC monofluorobenzene NIST_Chemistry_WebBook Fluorbenzol ChEBI Fluorobenzene KEGG_COMPOUND phenyl fluoride NIST_Chemistry_WebBook An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case. chebi_ontology dipolar compounds CHEBI:51151 dipolar compound dipolar compounds ChEBI An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. chebi_ontology anti-tussive cough suppressant cough suppressants CHEBI:51177 antitussive anti-tussive ChEBI cough suppressant ChEBI cough suppressants ChEBI A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. 0 C17H18F3NO 309.32610 309.13405 Beilstein:39914106 CAS:54910-89-3 DrugBank:DB00472 HMDB:HMDB0014615 KEGG:D00326 PMID:19144769 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24184049 PMID:24399719 PMID:24464553 PMID:24997906 PMID:25448156 PMID:25639887 PMID:25671301 PMID:8694321 Patent:DE2500110 Patent:US4314081 Reaxys:3991406 Wikipedia:Fluoxetine rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine (+-)-N-methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine Prozac fluoxetina fluoxetine fluoxetinum CHEBI:5118 fluoxetine Beilstein:39914106 Beilstein CAS:54910-89-3 ChemIDplus CAS:54910-89-3 KEGG DRUG PMID:19144769 Europe PMC PMID:22903652 Europe PMC PMID:22923967 Europe PMC PMID:23885544 Europe PMC PMID:24184049 Europe PMC PMID:24399719 Europe PMC PMID:24464553 Europe PMC PMID:24997906 Europe PMC PMID:25448156 Europe PMC PMID:25639887 Europe PMC PMID:25671301 Europe PMC PMID:8694321 Europe PMC Reaxys:3991406 Reaxys rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC (+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine ChemIDplus (+-)-N-methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine ChemIDplus Prozac DrugBank fluoxetina ChemIDplus fluoxetine KEGG_DRUG fluoxetine WHO_MedNet fluoxetinum ChemIDplus 0 Cl2H6N2Pt 300.045 298.95559 CAS:14913-33-8 Gmelin:101110 diamminedichloridoplatinum diamminedichloridoplatinum(II) diamminedichloroplatinum diamminedichloroplatinum(II) chebi_ontology diammine(dichloro)platinum diammineplatinum dichloride CHEBI:51214 diamminedichloroplatinum CAS:14913-33-8 NIST Chemistry WebBook Gmelin:101110 Gmelin diamminedichloridoplatinum IUPAC diamminedichloridoplatinum(II) IUPAC diamminedichloroplatinum IUPAC diamminedichloroplatinum(II) IUPAC diammine(dichloro)platinum ChEBI diammineplatinum dichloride NIST_Chemistry_WebBook A fluorescent dye used to stain biological specimens. chebi_ontology fluorochromes CHEBI:51217 fluorochrome fluorochromes ChEBI Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. chebi_ontology CHEBI:51269 acenes Compounds containing a tetracene skeleton. chebi_ontology naphthacenes CHEBI:51270 tetracenes naphthacenes ChEBI Compounds of general formula RR'NC(=S)NR''R'''. chebi_ontology CHEBI:51276 thioureas A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'. 0 COSR2 60.07500 59.96699 [*]C(=O)S[*] chebi_ontology thio ester thioesters thiol ester CHEBI:51277 thioester thio ester ChEBI thioesters ChEBI thiol ester ChEBI 0 C3H6OS InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3 OATSQCXMYKYFQO-UHFFFAOYSA-N 90.14514 90.01394 CSC(C)=O CHEBI:38533 CHEBI:51279 Beilstein:1736664 CAS:1534-08-3 Gmelin:1316927 S-methyl ethanethioate chebi_ontology CH3C(O)SCH3 ethanethioic acid, S-methyl ester methanethiol acetate methyl ethanethioate methyl thioacetate methylthioacetate thioacetic acid S-methyl ester CHEBI:51280 S-methyl thioacetate Beilstein:1736664 Beilstein CAS:1534-08-3 ChemIDplus CAS:1534-08-3 NIST Chemistry WebBook Gmelin:1316927 Gmelin S-methyl ethanethioate IUPAC CH3C(O)SCH3 NIST_Chemistry_WebBook ethanethioic acid, S-methyl ester ChemIDplus methanethiol acetate ChemIDplus methyl ethanethioate NIST_Chemistry_WebBook methyl thioacetate ChemIDplus methylthioacetate ChemIDplus thioacetic acid S-methyl ester NIST_Chemistry_WebBook Quinones containing an acene fused ring system. acenoquinone chebi_ontology acenoquinones CHEBI:51285 acenoquinone acenoquinone ChEBI acenoquinones ChEBI chebi_ontology CHEBI:51286 tetracenequinones A diester is a compound containing two ester groups. diester chebi_ontology diesters CHEBI:51307 diester diester ChEBI diesters ChEBI A dinitrile is a compound containing two nitrile groups. dinitrile chebi_ontology dinitriles CHEBI:51308 dinitrile dinitrile ChEBI dinitriles ChEBI 0 C2H3Br InChI=1S/C2H3Br/c1-2-3/h2H,1H2 INLLPKCGLOXCIV-UHFFFAOYSA-N 106.94922 105.94181 BrC=C Beilstein:1361370 CAS:593-60-2 Gmelin:25458 KEGG:C19184 bromoethene chebi_ontology 1-bromoethylene C2H3Br Vinylbromid bromoethylene bromure de vinyle monobromoethylene vinyl bromide CHEBI:51311 bromoethene Beilstein:1361370 Beilstein CAS:593-60-2 ChemIDplus CAS:593-60-2 KEGG COMPOUND CAS:593-60-2 NIST Chemistry WebBook Gmelin:25458 Gmelin bromoethene IUPAC 1-bromoethylene NIST_Chemistry_WebBook C2H3Br NIST_Chemistry_WebBook Vinylbromid ChemIDplus bromoethylene ChemIDplus bromure de vinyle ChemIDplus monobromoethylene ChemIDplus vinyl bromide ChemIDplus A haloethene in which only one of the hydrogen atoms in ethene is replaced by a halogen atom. chebi_ontology haloethene monohaloethenes vinyl halide vinyl halides CHEBI:51313 monohaloethene haloethene ChEBI monohaloethenes ChEBI vinyl halide ChEBI vinyl halides ChEBI 0 C2H3F InChI=1S/C2H3F/c1-2-3/h2H,1H2 XUCNUKMRBVNAPB-UHFFFAOYSA-N 46.04362 46.02188 FC=C Beilstein:1731574 CAS:75-02-5 Gmelin:130238 KEGG:C19185 fluoroethene chebi_ontology 1-fluoroethylene fluoroethylene monofluoroethene monofluoroethylene vinyl fluoride CHEBI:51314 fluoroethene Beilstein:1731574 ChemIDplus CAS:75-02-5 ChemIDplus CAS:75-02-5 KEGG COMPOUND CAS:75-02-5 NIST Chemistry WebBook Gmelin:130238 Gmelin fluoroethene IUPAC 1-fluoroethylene NIST_Chemistry_WebBook fluoroethylene ChemIDplus monofluoroethene ChemIDplus monofluoroethylene NIST_Chemistry_WebBook vinyl fluoride ChemIDplus A compound derived from ethene by replacing one or more hydrogen atoms with halogen atoms. haloethene chebi_ontology haloethenes CHEBI:51316 haloethene haloethene ChEBI haloethenes ChEBI A vinyl-substituted arene. chebi_ontology CHEBI:51324 vinylarene A compound derived from an alkene by replacing a hydrogen atom with a bromine atom. chebi_ontology bromoalkenes CHEBI:51328 bromoalkene bromoalkenes ChEBI A macromolecule composed of units connected by imino (-NR-) linkages. CHEBI:26176 CHEBI:8301 CAS:27308-78-7 KEGG:C06702 polyamine chebi_ontology Polyamine poly(amine) poly(amine)s polyamine polyamines CHEBI:51349 polyamine macromolecule CAS:27308-78-7 KEGG COMPOUND polyamine IUPAC Polyamine KEGG_COMPOUND poly(amine) ChEBI poly(amine)s ChEBI polyamine ChEBI polyamines ChEBI 0 C26H22ClF3N2O3 InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3 INISTDXBRIBGOC-UHFFFAOYSA-N 502.91300 502.12710 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 CAS:69409-94-5 KEGG:C10989 PPDB:1720 Patent:DE2812169 VSDB:1720 Fluvalinate cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]valinate chebi_ontology CHEBI:5135 fluvalinate CAS:69409-94-5 KEGG COMPOUND Fluvalinate KEGG_COMPOUND cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]valinate IUPAC Compounds based on a fused triazine and benzene ring skeleton. chebi_ontology CHEBI:51361 benzotriazines A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis. chebi_ontology muscle relaxants CHEBI:51371 muscle relaxant muscle relaxants ChEBI A drug used for its actions on skeletal muscle. chebi_ontology CHEBI:51372 neuromuscular agent A drug that binds to and activates gamma-aminobutyric acid receptors. chebi_ontology GABA agonists GABA receptor agonist GABA receptor agonists gamma-aminobutyric acid receptor agonist gamma-aminobutyric acid receptor agonists CHEBI:51373 GABA agonist GABA agonists ChEBI GABA receptor agonist ChEBI GABA receptor agonists ChEBI gamma-aminobutyric acid receptor agonist ChEBI gamma-aminobutyric acid receptor agonists ChEBI A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems. chebi_ontology CHEBI:51374 GABA agent 0 C6H8O6 InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1 CIWBSHSKHKDKBQ-MVHIGOERSA-N 176.12412 176.03209 [H][C@]1(OC(=O)C(O)=C1O)[C@H](O)CO Beilstein:84273 CAS:10504-35-5 (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one D-threo-hex-2-enono-1,4-lactone chebi_ontology D-lyxoascorbic acid D-threo-hex-2-enoic acid gamma-lactone D-xyloascorbic acid CHEBI:51384 D-ascorbic acid Beilstein:84273 Beilstein CAS:10504-35-5 ChemIDplus (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one IUPAC D-threo-hex-2-enono-1,4-lactone IUPAC D-lyxoascorbic acid ChEBI D-threo-hex-2-enoic acid gamma-lactone ChEBI D-xyloascorbic acid ChEBI Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class. 0 C6H4N2O4 168.107 168.01711 Wikipedia:Dinitrobenzene dinitrobenzene chebi_ontology Dinitrobenzol CHEBI:51396 dinitrobenzene dinitrobenzene IUPAC Dinitrobenzol ChEBI A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. 0 C6H4N2O4 InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H WDCYWAQPCXBPJA-UHFFFAOYSA-N 168.10700 168.01711 [O-][N+](=O)c1cccc(c1)[N+]([O-])=O CHEBI:44536 Beilstein:1105654 CAS:99-65-0 MetaCyc:13-DINITROBENZENE PDBeChem:NIN PMID:12119003 PMID:7744316 PMID:9291486 PPDB:1637 Reaxys:1105654 1,3-dinitrobenzene chebi_ontology 1,3-Dinitrobenzol 2,4-Dinitrobenzene DINITROPHENYLENE m-DNB m-Dinitrobenzene meta-Dinitrobenzene CHEBI:51397 1,3-dinitrobenzene Beilstein:1105654 Beilstein CAS:99-65-0 ChemIDplus PMID:12119003 Europe PMC PMID:7744316 Europe PMC PMID:9291486 Europe PMC Reaxys:1105654 Reaxys 1,3-dinitrobenzene IUPAC 1,3-dinitrobenzene UniProt 1,3-Dinitrobenzol ChemIDplus 2,4-Dinitrobenzene ChemIDplus DINITROPHENYLENE PDBeChem m-DNB ChemIDplus m-Dinitrobenzene ChemIDplus meta-Dinitrobenzene ChemIDplus A dinitrobenzene carrying nitro groups at positions 1 and 4. 0 C6H4N2O4 InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H FYFDQJRXFWGIBS-UHFFFAOYSA-N 168.10700 168.01711 [O-][N+](=O)c1ccc(cc1)[N+]([O-])=O Beilstein:1105828 CAS:100-25-4 PMID:24752547 PMID:749274 Reaxys:1105828 1,4-dinitrobenzene chebi_ontology p-Dinitrobenzene CHEBI:51398 1,4-dinitrobenzene Beilstein:1105828 Beilstein CAS:100-25-4 ChemIDplus PMID:24752547 Europe PMC PMID:749274 Europe PMC Reaxys:1105828 Reaxys 1,4-dinitrobenzene IUPAC 1,4-dinitrobenzene UniProt p-Dinitrobenzene ChemIDplus A benzene substituted with two amino groups. 0 C6H8N2 108.141 108.06875 benzenediamine chebi_ontology diaminobenzene CHEBI:51402 phenylenediamine benzenediamine IUPAC diaminobenzene ChEBI A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. 0 C6H8N2 InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2 CBCKQZAAMUWICA-UHFFFAOYSA-N 108.14120 108.06875 Nc1ccc(N)cc1 CHEBI:521550 Beilstein:749029 CAS:106-50-3 Chemspider:13835179 DrugBank:DB14141 HMDB:HMDB0256055 KEGG:C19499 PMID:10694312 PMID:10771133 PMID:11495521 PMID:1395635 PMID:15462465 PMID:17256041 PMID:17827020 PMID:18837732 PMID:18844695 PMID:19099270 PMID:19469519 PMID:19958436 PMID:20565505 PMID:21616561 PMID:23257336 PMID:23510340 PMID:24385090 PMID:8254706 PMID:8735869 PMID:9540973 Reaxys:749029 Wikipedia:P-Phenylenediamine benzene-1,4-diamine chebi_ontology 1,4-Benzenediamine 1,4-diaminobenzene 4-Aminoaniline 4-phenylenediamine PPD PPDA p-Diaminobenzene p-Phenylenediamine p-phenylenediamine base pPDA para-phenylenediamine paraphenylene-diamine paraphenylenediamine CHEBI:51403 1,4-phenylenediamine Beilstein:749029 Beilstein CAS:106-50-3 ChemIDplus CAS:106-50-3 KEGG COMPOUND CAS:106-50-3 NIST Chemistry WebBook PMID:10694312 Europe PMC PMID:10771133 Europe PMC PMID:11495521 Europe PMC PMID:1395635 Europe PMC PMID:15462465 Europe PMC PMID:17256041 Europe PMC PMID:17827020 ChEMBL PMID:18837732 Europe PMC PMID:18844695 Europe PMC PMID:19099270 Europe PMC PMID:19469519 Europe PMC PMID:19958436 Europe PMC PMID:20565505 Europe PMC PMID:21616561 Europe PMC PMID:23257336 Europe PMC PMID:23510340 Europe PMC PMID:24385090 Europe PMC PMID:8254706 Europe PMC PMID:8735869 Europe PMC PMID:9540973 Europe PMC Reaxys:749029 Reaxys benzene-1,4-diamine IUPAC 1,4-Benzenediamine ChemIDplus 1,4-Benzenediamine KEGG_COMPOUND 1,4-diaminobenzene ChEBI 4-Aminoaniline ChemIDplus 4-phenylenediamine ChEMBL PPD ChEBI PPDA ChEBI p-Diaminobenzene ChemIDplus p-Phenylenediamine ChemIDplus p-phenylenediamine base ChEBI pPDA ChEBI para-phenylenediamine ChEBI paraphenylene-diamine ChEBI paraphenylenediamine ChEBI Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s). chebi_ontology organodiyl groups CHEBI:51422 organodiyl group organodiyl groups ChEBI chebi_ontology CHEBI:51446 organic divalent group chebi_ontology CHEBI:51447 organic univalent group A hormone antagonist that blocks endothelin receptors. chebi_ontology ERA CHEBI:51451 endothelin receptor antagonist ERA ChEBI Cyclopropane and its derivatives formed by substitution. chebi_ontology CHEBI:51454 cyclopropanes An anionic coordination entity where halido ligands are coordinated to a metal centre. chebi_ontology halometallate anions CHEBI:51518 halometallate anion halometallate anions ChEBI A halometallate anion where all of the ligands coordinated to the metal atom are halido ligands. chebi_ontology perhalometallate anions CHEBI:51519 perhalometallate anion perhalometallate anions ChEBI An anionic coordination entity where fluorido ligands are coordinated to a metal centre. chebi_ontology fluoridometallate anion fluorometallate anions CHEBI:51527 fluorometallate anion fluoridometallate anion ChEBI fluorometallate anions ChEBI An anionic coordination entity where all of the ligands coordinated to the metal atom are fluorido ligands. chebi_ontology perfluorometallate anions CHEBI:51528 perfluorometallate anion perfluorometallate anions ChEBI A salt where the anion is a halometallate anion. chebi_ontology halometallate salts CHEBI:51529 halometallate salt halometallate salts ChEBI A salt where the anion is a perhalometallate anion. chebi_ontology perhalometallate salts CHEBI:51530 perhalometallate salt perhalometallate salts ChEBI A salt where the anion is a perfluorometallate anion. chebi_ontology perfluorometallate salts CHEBI:51531 perfluorometallate salt perfluorometallate salts ChEBI A salt where the anion is an fluorometallate anion. chebi_ontology fluoridometallate salt fluorometallate salts CHEBI:51532 fluorometallate salt fluoridometallate salt ChEBI fluorometallate salts ChEBI Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the O atom positioned adjacent to one of the positions of ring fusion. chebi_ontology CHEBI:51545 1,2-benzoxazoles Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton. chebi_ontology benzisoxazoles CHEBI:51549 benzisoxazole benzisoxazoles ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid. CHEBI:21653 CHEBI:22226 chebi_ontology N-acyl amino acid N-acyl amino acids N-acyl-amino-acid N-acyl-amino-acids N-acylamino acid N-acylamino acids acyl-amino-acid acyl-amino-acids acylamino acids CHEBI:51569 N-acyl-amino acid N-acyl amino acid ChEBI N-acyl amino acids ChEBI N-acyl-amino-acid ChEBI N-acyl-amino-acids ChEBI N-acylamino acid ChEBI N-acylamino acids ChEBI acyl-amino-acid ChEBI acyl-amino-acids ChEBI acylamino acids ChEBI Compounds containing a biotin (5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid) skeleton. chebi_ontology CHEBI:51570 biotins phthalocyanines metallophthalocyanines metallophthalocyanine Any compound containing two aryl groups connected by a single C atom. chebi_ontology diarylmethanes CHEBI:51614 diarylmethane diarylmethanes ChEBI Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups. chebi_ontology methoxybenzene CHEBI:51683 methoxybenzenes methoxybenzene ChEBI Boranes containing only two B atoms, linked either directly by a B-B bond or via hydrogen bridging atoms. chebi_ontology diboranes CHEBI:51685 diborane diboranes ChEBI An alpha,beta-unsaturated aldehyde of general formula R(1)R(2)C=CR(3)-CH=O in which the aldehydic C=O function is conjugated to a C=C double bond at the alpha,beta position. 0 C3HOR3 53.03940 53.00274 [H]C(=O)C(\[*])=C(/[*])[*] chebi_ontology enals CHEBI:51688 enal enals ChEBI An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position. 0 C3OR4 52.03150 51.99491 [*]\C([*])=C(\[*])C([*])=O Wikipedia:Enone chebi_ontology enones CHEBI:51689 enone enones ChEBI An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. 0 C3O2R4 68.03090 67.98983 [*]\C([*])=C(\[*])C(=O)O[*] chebi_ontology enoate enoate esters enoates CHEBI:51702 enoate ester enoate ChEBI enoate esters ChEBI enoates ChEBI An aldehyde of general formula R(1)R(2)C=CR(3)-CH=O or RC#C-CH=O in which the aldehydic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated aldehydes CHEBI:51718 alpha,beta-unsaturated aldehyde alpha,beta-unsaturated aldehydes ChEBI A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated ketones CHEBI:51721 alpha,beta-unsaturated ketone alpha,beta-unsaturated ketones ChEBI A carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) or R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated carboxylic esters CHEBI:51737 alpha,beta-unsaturated carboxylic ester alpha,beta-unsaturated carboxylic esters ChEBI A monocarboxylic amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) or R(1)C#C-C(=O)NR(2)R(3) in which the amide C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated amide alpha,beta-unsaturated carboxamide alpha,beta-unsaturated monocarboxylic acid amide alpha,beta-unsaturated monocarboxylic acid amides CHEBI:51750 alpha,beta-unsaturated carboxylic acid amide alpha,beta-unsaturated amide ChEBI alpha,beta-unsaturated carboxamide ChEBI alpha,beta-unsaturated monocarboxylic acid amide ChEBI alpha,beta-unsaturated monocarboxylic acid amides ChEBI An alpha,beta-unsaturated carboxylic acid amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) in which the amide C=O function is conjugated to a C=C double bond at the alpha,beta position. 0 C3NOR5 66.03820 65.99799 [*]\C([*])=C(\[*])C(=O)N([*])[*] chebi_ontology enamides CHEBI:51751 enamide enamides ChEBI A compound containing both ketone and nitrile functionalities. chebi_ontology ketonitriles CHEBI:51851 ketonitrile ketonitriles ChEBI A ketonitrile where the ketone and nitrile functionalities are on adjacent atoms. chebi_ontology alpha-ketonitriles CHEBI:51852 alpha-ketonitrile alpha-ketonitriles ChEBI +1 C14H20NO2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1 DUGOZIWVEXMGBE-UHFFFAOYSA-O 234.31414 234.14886 COC(=O)C(C1CCCC[NH2+]1)c1ccccc1 2-(2-methoxy-2-oxo-1-phenylethyl)piperidinium chebi_ontology CHEBI:51856 methylphenidate(1+) 2-(2-methoxy-2-oxo-1-phenylethyl)piperidinium IUPAC A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have S configuration. It is the inactive enantiomer in the racemic drug methylphenidate. 0 C14H19NO2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1 DUGOZIWVEXMGBE-STQMWFEESA-N 233.30620 233.14158 COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Beilstein:6116308 chebi_ontology methyl (2S)-phenyl[(2S)-piperidin-2-yl]acetate CHEBI:51857 methyl (S)-phenyl[(S)-piperidin-2-yl]acetate Beilstein:6116308 Beilstein methyl (2S)-phenyl[(2S)-piperidin-2-yl]acetate ChEBI A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration. It is the active enantiomer in the racemic drug methylphenidate. 0 C14H19NO2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 DUGOZIWVEXMGBE-CHWSQXEVSA-N 233.30620 233.14158 COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Beilstein:6116309 CAS:40431-64-9 Drug_Central:836 Wikipedia:Dexmethylphenidate methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate chebi_ontology (+)-threo-methylphenidate d-threo-methylphenidate dexmethylphenidate dexmethylphenidatum dexmetilfenidato methyl (R)-phenyl[(R)-piperidin-2-yl]acetate CHEBI:51860 dexmethylphenidate Beilstein:6116309 Beilstein CAS:40431-64-9 ChemIDplus Drug_Central:836 DrugCentral methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate IUPAC (+)-threo-methylphenidate ChemIDplus d-threo-methylphenidate ChemIDplus dexmethylphenidate WHO_MedNet dexmethylphenidatum WHO_MedNet dexmetilfenidato WHO_MedNet methyl (R)-phenyl[(R)-piperidin-2-yl]acetate ChEBI A ketone of formula RC(=O)CH3 (R =/= H). chebi_ontology methyl ketones phenolic ketone CHEBI:51867 methyl ketone methyl ketone methyl ketones ChEBI A member of the class of imines that is benzophenone imine carrying two dimethylamino substituents at positions 4 and 4'. The hydrochloride salt is the biological stain 'auramine O' 0 C17H21N3 InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3 JPIYZTWMUGTEHX-UHFFFAOYSA-N 267.36886 267.17355 CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C Beilstein:2215338 CAS:492-80-8 KEGG:C19193 Reaxys:2215338 4,4'-carbonimidoylbis(N,N-dimethylaniline) chebi_ontology 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline) 4,4'-Dimethylaminobenzophenonimide Apyonine auramine base Auramine (free base) Bis(p-dimethylaminophenyl)methyleneimine Brilliant Oil Yellow C.I. 41000B C.I. Solvent Yellow 34 CI Basic Yellow 2, free base Tetramethyl-p-diamino-imido-benzophenone Yellow pyoctanine auramine CHEBI:51874 auramine O free base Beilstein:2215338 Beilstein CAS:492-80-8 ChemIDplus CAS:492-80-8 KEGG COMPOUND Reaxys:2215338 Reaxys 4,4'-carbonimidoylbis(N,N-dimethylaniline) IUPAC 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline) ChemIDplus 4,4'-Dimethylaminobenzophenonimide ChEBI Apyonine auramine base ChemIDplus Auramine (free base) ChemIDplus Bis(p-dimethylaminophenyl)methyleneimine ChemIDplus Brilliant Oil Yellow ChemIDplus C.I. 41000B ChemIDplus C.I. Solvent Yellow 34 ChemIDplus CI Basic Yellow 2, free base ChemIDplus Tetramethyl-p-diamino-imido-benzophenone ChemIDplus Yellow pyoctanine ChemIDplus auramine ChEBI Compounds based upon an indolo[2,3-a]carbazole skeleton. chebi_ontology indolocarbazoles CHEBI:51915 indolocarbazole indolocarbazoles ChEBI Amidines with the general formula R(1)N=CHNR(2)R(3) (R(1), R(2), R(3) can be H). 0 CHN2R3 41.03200 41.01397 [H]C(=N[*])N([*])[*] chebi_ontology CHEBI:51917 formamidines A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a propyl group. 0 C4H7N InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 KVNRLNFWIYMESJ-UHFFFAOYSA-N 69.10512 69.05785 CCCC#N Beilstein:1361452 CAS:109-74-0 MetaCyc:CPD-12327 PMID:21702510 PMID:23919523 PMID:24533637 Reaxys:1361452 Wikipedia:Butyronitrile butanenitrile chebi_ontology 1-Cyanopropane Butyric acid nitrile n-Butanitrile n-butyronitrile n-propyl cyanide propyl cyanide CHEBI:51937 butyronitrile Beilstein:1361452 Beilstein CAS:109-74-0 ChemIDplus CAS:109-74-0 NIST Chemistry WebBook PMID:21702510 Europe PMC PMID:23919523 Europe PMC PMID:24533637 Europe PMC Reaxys:1361452 Reaxys butanenitrile IUPAC 1-Cyanopropane ChemIDplus Butyric acid nitrile ChemIDplus n-Butanitrile NIST_Chemistry_WebBook n-butyronitrile ChEBI n-propyl cyanide ChEBI propyl cyanide ChEBI chebi_ontology organic polycyclic compounds CHEBI:51958 organic polycyclic compound organic polycyclic compounds ChEBI chebi_ontology organic tricyclic compounds CHEBI:51959 organic tricyclic compound organic tricyclic compounds ChEBI An organic anion that is the conjugate base of methanol. -1 CH3O InChI=1S/CH3O/c1-2/h1H3/q-1 NBTOZLQBSIZIKS-UHFFFAOYSA-N 31.03390 31.01894 C[O-] Reaxys:1839368 chebi_ontology methoxide ion CHEBI:52090 methoxide Reaxys:1839368 Reaxys Reaxys:1839368 Reaxys methoxide ion ChEBI An organic anion that is the conjugate base of ethanol. -1 C2H5O InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1 HHFAWKCIHAUFRX-UHFFFAOYSA-N 45.06050 45.03459 CC[O-] Beilstein:1839415 Reaxys:1839415 chebi_ontology ethoxy anion CHEBI:52092 ethoxide Beilstein:1839415 Beilstein Beilstein:1839415 Beilstein Reaxys:1839415 Reaxys Reaxys:1839415 Reaxys ethoxy anion ChEBI The ion formed by protonating nitrogen in pyrrolidine. +1 C4H10N InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/p+1 RWRDLPDLKQPQOW-UHFFFAOYSA-O 72.12890 72.08078 C1CC[NH2+]C1 MetaCyc:PYRROLIDINE pyrrolidinium pyrrolidinium ion chebi_ontology pyrrolidine CHEBI:52145 pyrrolidinium ion pyrrolidinium IUPAC pyrrolidinium ion ChEBI pyrrolidine UniProt A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups. 0 C6H15NO InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3 BFSVOASYOCHEOV-UHFFFAOYSA-N 117.18940 117.11536 CCN(CC)CCO Beilstein:741863 CAS:100-37-8 HMDB:HMDB0033971 PMID:22325017 Reaxys:741863 Wikipedia:2-Diethylaminoethanol 2-(diethylamino)ethanol chebi_ontology DEAE Diethyl(2-hydroxyethyl)amine Diethylaminoethanol N,N-Diethyl-2-aminoethanol N,N-Diethylethanolamine N,N-diethyl-N-(beta-hydroxyethyl)amine beta-(diethylamino)ethyl alcohol beta-hydroxytriethylamine diethylethanolamine diethylmonoethanolamine CHEBI:52153 2-diethylaminoethanol Beilstein:741863 Beilstein CAS:100-37-8 ChemIDplus CAS:100-37-8 NIST Chemistry WebBook PMID:22325017 Europe PMC Reaxys:741863 Reaxys 2-(diethylamino)ethanol IUPAC DEAE NIST_Chemistry_WebBook Diethyl(2-hydroxyethyl)amine ChemIDplus Diethylaminoethanol ChemIDplus N,N-Diethyl-2-aminoethanol NIST_Chemistry_WebBook N,N-Diethylethanolamine ChemIDplus N,N-diethyl-N-(beta-hydroxyethyl)amine ChemIDplus beta-(diethylamino)ethyl alcohol NIST_Chemistry_WebBook beta-hydroxytriethylamine NIST_Chemistry_WebBook diethylethanolamine ChemIDplus diethylmonoethanolamine ChemIDplus chebi_ontology CHEBI:52157 organic heteroheptacyclic compound A biological role played by the molecular entity or part thereof within a biochemical context. chebi_ontology CHEBI:52206 biochemical role chebi_ontology CHEBI:52208 biophysical role A role played by the molecular entity or part thereof which causes the development of a pathological process. chebi_ontology etiopathogenetic agent etiopathogenetic role CHEBI:52209 aetiopathogenetic role etiopathogenetic agent ChEBI etiopathogenetic role ChEBI A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties. chebi_ontology CHEBI:52210 pharmacological role chebi_ontology CHEBI:52211 physiological role Any molecule or ion capable of binding to a central metal atom to form coordination complexes. Wikipedia:Ligand chebi_ontology ligands CHEBI:52214 ligand ligands ChEBI A chemical role played by the molecular entity or part thereof in a photochemical process. chebi_ontology photochemical roles CHEBI:52215 photochemical role photochemical roles ChEBI Any substance introduced into a living organism with therapeutic or diagnostic purpose. CHEBI:33293 CHEBI:33294 chebi_ontology farmaco medicament pharmaceuticals CHEBI:52217 pharmaceutical farmaco ChEBI medicament ChEBI pharmaceuticals ChEBI An organosulfur compound with the general formula R-N=C=S. 0 CNSR 58.084 57.97515 [*]N=C=S CHEBI:183101 CHEBI:24927 CHEBI:24929 MetaCyc:ISOTHIOCYANATES PMID:21783213 Wikipedia:Isothiocyanate chebi_ontology an isothiocyanate isothiocyanates CHEBI:52221 isothiocyanate PMID:21783213 SUBMITTER an isothiocyanate UniProt isothiocyanates ChEBI A para-terphenyl that consists of benzene attached to two phenyl units at positions 1 and 4 respectively. 0 C18H14 InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H XJKSTNDFUHDPQJ-UHFFFAOYSA-N 230.30380 230.10955 c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 Beilstein:1908447 CAS:92-94-4 PMID:17269654 Reaxys:1908447 1,4-diphenylbenzene chebi_ontology 1,1':4',1''-Terphenyl 4-Phenylbiphenyl PTP Santowax P p-Diphenylbenzene p-Terphenyl p-Triphenyl CHEBI:52242 1,4-diphenylbenzene Beilstein:1908447 Beilstein CAS:92-94-4 ChemIDplus CAS:92-94-4 NIST Chemistry WebBook PMID:17269654 Europe PMC Reaxys:1908447 Reaxys 1,4-diphenylbenzene IUPAC 1,1':4',1''-Terphenyl ChemIDplus 4-Phenylbiphenyl ChemIDplus PTP ChemIDplus Santowax P ChemIDplus p-Diphenylbenzene ChemIDplus p-Terphenyl ChemIDplus p-Triphenyl ChemIDplus 0 C23H24O8 InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 QDLHCMPXEPAAMD-QAIWCSMKSA-N 428.437 428.14712 [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C CHEBI:43674 Beilstein:67676 CAS:19545-26-7 DrugBank:DB08059 HMDB:HMDB0259902 KEGG:C15181 KNApSAcK:C00023672 LINCS:LSM-3947 MetaCyc:CPD-11924 PDBeChem:KWT PMID:11090628 PMID:18703838 PMID:19805105 PMID:20017609 PMID:22003059 PMID:22056625 PMID:22524784 PMID:25449276 PMID:27375631 PMID:28000865 PMID:28474885 PMID:30036994 PMID:32052028 PMID:34306363 Reaxys:67676 Wikipedia:Wortmannin (1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate chebi_ontology Wartmannin CHEBI:52289 wortmannin Beilstein:67676 Beilstein CAS:19545-26-7 ChemIDplus CAS:19545-26-7 KEGG COMPOUND PMID:11090628 Europe PMC PMID:18703838 Europe PMC PMID:19805105 Europe PMC PMID:20017609 Europe PMC PMID:22003059 Europe PMC PMID:22056625 Europe PMC PMID:22524784 Europe PMC PMID:25449276 Europe PMC PMID:27375631 Europe PMC PMID:28000865 Europe PMC PMID:28474885 Europe PMC PMID:30036994 Europe PMC PMID:32052028 Europe PMC PMID:34306363 Europe PMC Reaxys:67676 Reaxys (1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate IUPAC Wartmannin ChemIDplus A chemical substance that encourages a cell to commence cell division, triggering mitosis. chebi_ontology mitogens CHEBI:52290 mitogen mitogens ChEBI A formate ester resulting from the formal condensation of formic acid with ethanol. 0 C3H6O2 InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 WBJINCZRORDGAQ-UHFFFAOYSA-N 74.07850 74.03678 CCOC=O Beilstein:906769 CAS:109-94-4 HMDB:HMDB0031229 PMID:19466692 PMID:21780282 PMID:24498732 Patent:CN1112546 Patent:WO03061384 Reaxys:906769 Wikipedia:Ethyl_formate ethyl formate chebi_ontology Aethylformiat Areginal Carboxylic acid oxaethane Ethyl formic ester Ethyl methanoate Ethyle (formiate d') Ethylformiaat Formic acid, ethyl ester Formic ether formiato de etilo CHEBI:52342 ethyl formate Beilstein:906769 Beilstein CAS:109-94-4 ChemIDplus CAS:109-94-4 NIST Chemistry WebBook PMID:19466692 Europe PMC PMID:21780282 Europe PMC PMID:24498732 Europe PMC Reaxys:906769 Reaxys ethyl formate IUPAC ethyl formate UniProt Aethylformiat ChemIDplus Areginal ChemIDplus Carboxylic acid oxaethane ChemIDplus Ethyl formic ester ChemIDplus Ethyl methanoate ChemIDplus Ethyle (formiate d') ChemIDplus Ethylformiaat ChemIDplus Formic acid, ethyl ester ChemIDplus Formic ether ChemIDplus formiato de etilo ChEBI An ester of formic acid. Patent:US2617821 Patent:WO2006088253 chebi_ontology formate formate esters formates formic acid esters formic ester formyl ester CHEBI:52343 formate ester formate ChEBI formate esters ChEBI formates ChEBI formic acid esters ChEBI formic ester ChEBI formyl ester ChEBI 0 ClO2 67.452 66.95868 dioxygen chloride chebi_ontology ClO2(.) CHEBI:52357 chlorine dioxide dioxygen chloride IUPAC ClO2(.) IUPAC An ortho-fused compound in which at least one of the rings contains at least one heteroatom. chebi_ontology ortho-fused heteroarenes CHEBI:52362 ortho-fused heteroarene ortho-fused heteroarenes ChEBI A compound with the general formula R2C=O (R=/=H) where one or more of the R groups contains an oxy (-O-) group. chebi_ontology oxyketones CHEBI:52395 oxyketone oxyketones ChEBI An oxyketone with the general formula R2C(=O) (R=/=H) where one or more of the R groups contains an oxy (-O-) group and the oxy and carbonyl groups are bonded to the same carbon atom. chebi_ontology alpha-oxyketones CHEBI:52396 alpha-oxyketone alpha-oxyketones ChEBI An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*). CHEBI:76776 chebi_ontology EC 3.2.1.* (glycosidase) inhibitors EC 3.2.1.* inhibitor EC 3.2.1.* inhibitors glycosidase (EC 3.2.1.*) inhibitor glycosidase (EC 3.2.1.*) inhibitors glycosidase inhibitor glycosidase inhibitors glycoside hydrolase inhibitors CHEBI:52424 EC 3.2.1.* (glycosidase) inhibitor EC 3.2.1.* (glycosidase) inhibitors ChEBI EC 3.2.1.* inhibitor ChEBI EC 3.2.1.* inhibitors ChEBI glycosidase (EC 3.2.1.*) inhibitor ChEBI glycosidase (EC 3.2.1.*) inhibitors ChEBI glycosidase inhibitor ChEBI glycosidase inhibitors ChEBI glycoside hydrolase inhibitors ChEBI An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell. chebi_ontology EC 3.2.1.18 (exo-alpha-sialidase) inhibitors EC 3.2.1.18 inhibitor EC 3.2.1.18 inhibitors N-acylneuraminate glycohydrolase inhibitor N-acylneuraminate glycohydrolase inhibitors acetylneuraminidase inhibitor acetylneuraminidase inhibitors acetylneuraminyl hydrolase inhibitor acetylneuraminyl hydrolase inhibitors alpha-neuraminidase inhibitor alpha-neuraminidase inhibitors exo-alpha-sialidase (EC 3.2.1.18) inhibitor exo-alpha-sialidase (EC 3.2.1.18) inhibitors exo-alpha-sialidase inhibitor exo-alpha-sialidase inhibitors neuraminidase inhibitor neuraminidase inhibitors sialidase inhibitor sialidase inhibitors CHEBI:52425 EC 3.2.1.18 (exo-alpha-sialidase) inhibitor EC 3.2.1.18 (exo-alpha-sialidase) inhibitors ChEBI EC 3.2.1.18 inhibitor ChEBI EC 3.2.1.18 inhibitors ChEBI N-acylneuraminate glycohydrolase inhibitor ChEBI N-acylneuraminate glycohydrolase inhibitors ChEBI acetylneuraminidase inhibitor ChEBI acetylneuraminidase inhibitors ChEBI acetylneuraminyl hydrolase inhibitor ChEBI acetylneuraminyl hydrolase inhibitors ChEBI alpha-neuraminidase inhibitor ChEBI alpha-neuraminidase inhibitors ChEBI exo-alpha-sialidase (EC 3.2.1.18) inhibitor ChEBI exo-alpha-sialidase (EC 3.2.1.18) inhibitors ChEBI exo-alpha-sialidase inhibitor ChEBI exo-alpha-sialidase inhibitors ChEBI neuraminidase inhibitor ChEBI neuraminidase inhibitors ChEBI sialidase inhibitor ChEBI sialidase inhibitors ChEBI chebi_ontology cephalosporin carboxylate cephalosporin carboxylates cephalosporin carboxylic acid anions cephalosporincarboxylate CHEBI:52440 cephalosporin carboxylic acid anion cephalosporin carboxylate ChEBI cephalosporin carboxylates ChEBI cephalosporin carboxylic acid anions ChEBI cephalosporincarboxylate ChEBI 0 C7H7NO2 InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10) PWXJULSLLONQHY-UHFFFAOYSA-N 137.13600 137.04768 OC(=O)Nc1ccccc1 Beilstein:2802524 CAS:501-82-6 phenylcarbamic acid chebi_ontology Carbanilic acid Carbanilsaeure Phenylcarbamidsaeure CHEBI:52496 phenylcarbamic acid Beilstein:2802524 Beilstein CAS:501-82-6 ChemIDplus phenylcarbamic acid IUPAC Carbanilic acid ChemIDplus Carbanilsaeure ChemIDplus Phenylcarbamidsaeure ChemIDplus A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab. 0 (C4H6MnN2S4)n Beilstein:3747585 CAS:12427-38-2 KEGG:C15231 PMID:18605226 PMID:20188092 PMID:20430411 PMID:21314462 PMID:21402726 PMID:23764462 PMID:24936438 PMID:25275677 PPDB:426 Pesticides:maneb Reaxys:3747585 Wikipedia:Maneb [{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']manganese chebi_ontology manganese ethane-1,2-diyldicarbamodithioate CHEBI:52497 maneb Beilstein:3747585 Beilstein CAS:12427-38-2 ChemIDplus CAS:12427-38-2 KEGG COMPOUND PMID:18605226 Europe PMC PMID:20188092 Europe PMC PMID:20430411 Europe PMC PMID:21314462 Europe PMC PMID:21402726 Europe PMC PMID:23764462 Europe PMC PMID:24936438 Europe PMC PMID:25275677 Europe PMC Pesticides:maneb Alan Wood's Pesticides Reaxys:3747585 Reaxys [{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']manganese IUPAC manganese ethane-1,2-diyldicarbamodithioate IUPAC A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU. 0 C4H6N2S4Zn InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2 AMHNZOICSMBGDH-UHFFFAOYSA-L 275.77300 273.87052 [Zn++].[S-]C(=S)NCCNC([S-])=S Beilstein:4165797 CAS:12122-67-7 KEGG:C15232 PMID:22155123 PMID:23871785 PMID:465777 PPDB:683 Patent:CN1648120 Patent:US2690448 Pesticides:zineb Reaxys:4165797 Wikipedia:Zineb [{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']zinc chebi_ontology zinc ethane-1,2-diyldicarbamodithioate CHEBI:52498 zineb Beilstein:4165797 Beilstein CAS:12122-67-7 ChemIDplus CAS:12122-67-7 KEGG COMPOUND PMID:22155123 Europe PMC PMID:23871785 Europe PMC PMID:465777 Europe PMC Pesticides:zineb Alan Wood's Pesticides Reaxys:4165797 Reaxys [{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']zinc IUPAC zinc ethane-1,2-diyldicarbamodithioate IUPAC A diterpenoid with a tetracyclic skeleton. chebi_ontology tetracyclic diterpenoids CHEBI:52557 tetracyclic diterpenoid tetracyclic diterpenoids ChEBI A glycerol ether having at least one alkyl substituent on oxygen. chebi_ontology O-alkylglycerol O-alkylglycerols alkylglycerols CHEBI:52575 alkylglycerol O-alkylglycerol ChEBI O-alkylglycerols ChEBI alkylglycerols ChEBI chebi_ontology inorganic hydroxides CHEBI:52625 inorganic hydroxy compound inorganic hydroxides ChEBI A leptomycin having a (2E,10E,12E,16Z,18E)-double bond configuration as well as an ethyl substituent at position 17. 0 C33H48O6 InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1 YACHGFWEQXFSBS-XYERBDPFSA-N 540.73060 540.34509 CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O Beilstein:7958583 Beilstein:8299374 CAS:87081-35-4 PMID:10421839 PMID:10430904 PMID:11134317 PMID:12468543 PMID:16964287 PMID:6874586 PMID:9683540 Reaxys:8299374 (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid chebi_ontology ATS 1287B Antibiotic CI 940 Antibiotic CL 1957A Antibiotic PD 114720 LMB antibiotic ATS 1287B CHEBI:52646 leptomycin B Beilstein:7958583 Beilstein Beilstein:8299374 Beilstein CAS:87081-35-4 ChemIDplus PMID:10421839 Europe PMC PMID:10430904 Europe PMC PMID:11134317 Europe PMC PMID:12468543 Europe PMC PMID:16964287 Europe PMC PMID:6874586 Europe PMC PMID:9683540 Europe PMC Reaxys:8299374 Reaxys (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid IUPAC ATS 1287B ChEBI Antibiotic CI 940 ChemIDplus Antibiotic CL 1957A ChemIDplus Antibiotic PD 114720 ChEBI LMB ChEBI antibiotic ATS 1287B ChEBI A complex, very long chain, polyunsaturated fatty acid whose core structure comprises 8-oxononadeca-2,10,12,16,18-pentaenoic acid having methyl substituents at positions 3, 5, 7, 9, 11 and 15 and a 3,6-dihydropyran-6-one-2-yl group at position 19. CAS:88026-21-5 PMID:6874586 chebi_ontology leptomycins CHEBI:52651 leptomycin CAS:88026-21-5 ChemIDplus PMID:6874586 Europe PMC leptomycins ChEBI A drug that blocks the action of proteasomes, cellular complexes that break down proteins. chebi_ontology proteasome inhibitors CHEBI:52726 proteasome inhibitor proteasome inhibitors ChEBI quinolinium ion chebi_ontology quinolinium ions CHEBI:52837 quinolinium ion quinolinium ion ChEBI quinolinium ions ChEBI An organic group that consists of a closed ring. It may be a substituent or a skeleton. chebi_ontology cyclic organic groups CHEBI:52845 cyclic organic group cyclic organic groups ChEBI A nanoparticle that contains no carbon. chebi_ontology inorganic nanoparticles CHEBI:52855 inorganic nanoparticle inorganic nanoparticles ChEBI A metal oxide containing tin and oxygen. chebi_ontology oxides of tin tin oxides CHEBI:52990 tin oxide oxides of tin ChEBI tin oxides ChEBI A tin oxide compound consisting of tin(IV) covalently bound to two oxygen atoms. 0 O2Sn InChI=1S/2O.Sn XOLBLPGZBRYERU-UHFFFAOYSA-N 150.70900 151.89203 O=[Sn]=O CAS:1317-45-9 CAS:18282-10-5 Gmelin:9355 tin dioxide tin(IV) oxide chebi_ontology Cassiterite Flowers of tin Stannic anhydride Stannic dioxide Stannic oxide Tin Oxide Tin Peroxide White tin oxide stannic oxide tin(IV) oxide CHEBI:52991 tin dioxide CAS:1317-45-9 ChemIDplus CAS:18282-10-5 ChemIDplus CAS:18282-10-5 NIST Chemistry WebBook Gmelin:9355 Gmelin tin dioxide IUPAC tin(IV) oxide IUPAC Cassiterite ChemIDplus Flowers of tin ChemIDplus Stannic anhydride ChemIDplus Stannic dioxide ChemIDplus Stannic oxide ChemIDplus Tin Oxide ChemIDplus Tin Peroxide ChemIDplus White tin oxide ChemIDplus stannic oxide SUBMITTER tin(IV) oxide SUBMITTER The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. chebi_ontology antigenic determinant epitope function epitope role CHEBI:53000 epitope antigenic determinant ChEBI epitope function ChEBI epitope role ChEBI Diazoline compounds having the nitrogen atoms at the 1- and 3-positions and a double bond at an unspecified position. chebi_ontology CHEBI:53095 imidazolines An antagonist at the A2A receptor. Wikipedia:Adenosine_A2A_receptor chebi_ontology adenosine A2A receptor antagonists CHEBI:53121 adenosine A2A receptor antagonist adenosine A2A receptor antagonists ChEBI A five-membered organic heteromonocyclic compound containing two nitrogen atoms and a double bond. chebi_ontology diazolines CHEBI:53123 diazoline diazolines ChEBI A biphenyl compound containing between 2 and 10 chlorine atoms attached to the two benzene rings. Wikipedia:Polychlorinated_biphenyl chebi_ontology PCB PCBs polychlorinated biphenyl polychlorinated biphenyls polychlorobiphenyls CHEBI:53156 polychlorobiphenyl PCB ChEBI PCBs ChEBI polychlorinated biphenyl ChEBI polychlorinated biphenyls ChEBI polychlorobiphenyls ChEBI A norterpene that is an acyclic saturated hydrocarbon derived from phytane by loss of its C-16 terminal methyl group. 0 C19H40 InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3 XOJVVFBFDXDTEG-UHFFFAOYSA-N 268.52090 268.31300 CC(C)CCCC(C)CCCC(C)CCCC(C)C CHEBI:77511 Beilstein:1720538 CAS:1921-70-6 MetaCyc:CPD-15252 PMID:21725847 PMID:22076633 PMID:22160928 PMID:22391806 PMID:22422888 PMID:22678902 PMID:22702720 PMID:22917079 PMID:22933628 PMID:23249408 PMID:23342358 PMID:23450347 PMID:9574571 Reaxys:1720538 Wikipedia:Pristane 2,6,10,14-tetramethylpentadecane chebi_ontology Bute hydrocarbon Norphytan Norphytane Pristan CHEBI:53181 pristane Beilstein:1720538 Beilstein Beilstein:1720538 ChemIDplus CAS:1921-70-6 ChemIDplus CAS:1921-70-6 NIST Chemistry WebBook PMID:21725847 Europe PMC PMID:22076633 Europe PMC PMID:22160928 Europe PMC PMID:22391806 Europe PMC PMID:22422888 Europe PMC PMID:22678902 Europe PMC PMID:22702720 Europe PMC PMID:22917079 Europe PMC PMID:22933628 Europe PMC PMID:23249408 Europe PMC PMID:23342358 Europe PMC PMID:23450347 Europe PMC PMID:9574571 Europe PMC Reaxys:1720538 Reaxys 2,6,10,14-tetramethylpentadecane IUPAC Bute hydrocarbon ChemIDplus Norphytan NIST_Chemistry_WebBook Norphytane ChemIDplus Pristan NIST_Chemistry_WebBook Any hydrocarbon formed by loss of a methyl group from a terpene. chebi_ontology nor-terpene nor-terpenes norterpenes CHEBI:53182 norterpene nor-terpene ChEBI nor-terpenes ChEBI norterpenes ChEBI A compound arising from loss of part of the carotene skeleton (excluding retinoids) chebi_ontology apo carotenoids apocarotenoid apocarotenoids CHEBI:53183 apo carotenoid apo carotenoids ChEBI apocarotenoid ChEBI apocarotenoids ChEBI Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). chebi_ontology iso-cyanates CHEBI:53212 isocyanates iso-cyanates ChEBI An isocyanate compound containing two isocyanate functional groups. Manufactured for reaction with polyols in the production of polyurethanes. PMID:17042142 PMID:22774468 PMID:23324746 PMID:23343863 PMID:23535363 PMID:23558852 PMID:23835991 chebi_ontology diisocyanates CHEBI:53213 diisocyanate PMID:17042142 Europe PMC PMID:22774468 Europe PMC PMID:23324746 Europe PMC PMID:23343863 Europe PMC PMID:23535363 Europe PMC PMID:23558852 Europe PMC PMID:23835991 Europe PMC diisocyanates ChEBI A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent. 0 C12H18N2O2 InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3 NIMLQBUJDJZYEJ-UHFFFAOYSA-N 222.28350 222.13683 CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O CAS:4098-71-9 PMID:1447476 PMID:19851844 PMID:20817708 PMID:22237013 PMID:23218325 PMID:23394610 PMID:23484438 PMID:23548862 PMID:23564646 PMID:23648023 Wikipedia:Isophorone_diisocyanate 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane Isophorone diisocyanate chebi_ontology 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate IPDI Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester Isophorone diamine diisocyanate CHEBI:53214 isophorone diisocyanate CAS:4098-71-9 ChemIDplus PMID:1447476 Europe PMC PMID:19851844 Europe PMC PMID:20817708 Europe PMC PMID:22237013 Europe PMC PMID:23218325 Europe PMC PMID:23394610 Europe PMC PMID:23484438 Europe PMC PMID:23548862 Europe PMC PMID:23564646 Europe PMC PMID:23648023 Europe PMC 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane IUPAC Isophorone diisocyanate ChemIDplus 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate ChemIDplus IPDI ChemIDplus Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester ChemIDplus Isophorone diamine diisocyanate ChemIDplus A diisocyanate consisting of dicyclohexylmethane with two isocyanate groups at the 4- and 4'-positions. 0 C15H22N2O2 InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2 KORSJDCBLAPZEQ-UHFFFAOYSA-N 262.34740 262.16813 O=C=NC1CCC(CC1)CC1CCC(CC1)N=C=O Beilstein:2217800 CAS:5124-30-1 PMID:11603590 PMID:1447476 PMID:14531868 PMID:17896759 PMID:19804698 PMID:20004749 PMID:20334402 PMID:20851382 PMID:2488962 PMID:6740674 PMID:6821040 PMID:8960156 Patent:US2011021810 Reaxys:2217800 1,1'-methylenebis(4-isocyanatocyclohexane) chebi_ontology 4,4'-Diisocyanatodicyclohexylmethane 4,4'-Methylenedi(cyclohexyl isocyanate) Bis(4-isocyanatocyclohexyl)methane Dicyclohexylmethane-4,4'-di-isocyanate HMDI Hydrogenated MDI Hylene W Isocyanic acid, methylenedi-4,1-cyclohexylene ester Methylene bis(4-cyclohexylisocyanate) Methylene bis-(4-cyclohexylisocyanate) dicyclohexylmethane 4,4'-diisocyanate CHEBI:53216 dicyclohexylmethane-4,4'-diisocyanate Beilstein:2217800 ChemIDplus CAS:5124-30-1 ChemIDplus CAS:5124-30-1 NIST Chemistry WebBook PMID:11603590 Europe PMC PMID:1447476 Europe PMC PMID:14531868 Europe PMC PMID:17896759 Europe PMC PMID:19804698 Europe PMC PMID:20004749 Europe PMC PMID:20334402 Europe PMC PMID:20851382 Europe PMC PMID:2488962 Europe PMC PMID:6740674 Europe PMC PMID:6821040 Europe PMC PMID:8960156 Europe PMC Reaxys:2217800 Reaxys 1,1'-methylenebis(4-isocyanatocyclohexane) IUPAC 4,4'-Diisocyanatodicyclohexylmethane ChemIDplus 4,4'-Methylenedi(cyclohexyl isocyanate) NIST_Chemistry_WebBook Bis(4-isocyanatocyclohexyl)methane NIST_Chemistry_WebBook Dicyclohexylmethane-4,4'-di-isocyanate NIST_Chemistry_WebBook HMDI ChEBI Hydrogenated MDI ChemIDplus Hylene W ChemIDplus Isocyanic acid, methylenedi-4,1-cyclohexylene ester ChemIDplus Methylene bis(4-cyclohexylisocyanate) ChemIDplus Methylene bis-(4-cyclohexylisocyanate) ChemIDplus dicyclohexylmethane 4,4'-diisocyanate ChEBI A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. 0 C15H10N2O2 InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2 UPMLOUAZCHDJJD-UHFFFAOYSA-N 250.25210 250.07423 O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1 Beilstein:797662 CAS:101-68-8 Gmelin:166464 KEGG:C19453 PMID:11927838 PMID:1447476 PMID:14531868 PMID:17042142 PMID:17336832 PMID:18352975 PMID:18418755 PMID:18484168 PMID:18787742 PMID:19014769 PMID:19191163 PMID:19732394 PMID:19757291 PMID:20165612 PMID:20933064 PMID:21414210 PMID:21878336 PMID:21987383 PMID:24572447 PMID:26337647 PMID:26690039 PMID:26954368 PMID:6296214 PMID:6821040 PMID:8093967 PMID:8711735 PMID:8960156 Patent:WO2010121997 Reaxys:797662 Wikipedia:Diphenylmethane_diisocyanate 1,1'-methylenebis(4-isocyanatobenzene) Diphenylmethane-4,4'-diisocyanate chebi_ontology 1,1'-Methylenebis(4-isocyanatobenzene) 4,4'-Diisocyanatodiphenylmethane 4,4'-Diphenylmethane diisocyanate 4,4'-Methylenebis(phenyl isocyanate) 4,4'-Methylenedi(phenyl isocyanate) 4,4'-Methylenedi-p-phenylene diisocyanate 4,4'-Methylenediphenyl diisocyanate 4,4'-Methylenediphenyl isocyanate 4,4'-Methylenediphenylene diisocyanate 4,4'-Methylenediphenylene isocyanate 4,4'-methylene diphenyl diisocyanate 4-4'-Diisocyanate de diphenylmethane Bis(1,4-isocyanatophenyl)methane Bis(4-isocyanatophenyl)methane Bis(p-isocyanatophenyl)methane Bis(para-isocyanatophenyl)methane Diphenyl methane diisocyanate Diphenylmethan-4,4'-diisocyanat Diphenylmethane diisocyanate Diphenylmethyl diisocyanate MDI MDR Methylbisphenyl isocyanate Methylene bisphenyl isocyanate Methylene di-p-phenylene isocyanate Methylene diphenyl diisocyanate Methylenebis(4-isocyanatobenzene) Methylenebis(4-phenyl isocyanate) Methylenebis(4-phenylene isocyanate) Methylenebis(p-phenyl isocyanate) Methylenebis(p-phenylene isocyanate) Methylenebis(para-phenyl isocyanate) Methylenebis(para-phenylene isocyanate) Methylenebisphenyl diisocyanate Methylenedi-p-phenylene diisocyanate Methylenedi-para-phenylene diisocyanate p,p'-Diphenylmethane diisocyanate p,p'-Methylenebis(phenyl isocyanate) para,para'-Diphenylmethane diisocyanate para,para'-Methylenebis(phenyl isocyanate) CHEBI:53218 diphenylmethane-4,4'-diisocyanate Beilstein:797662 Beilstein CAS:101-68-8 ChemIDplus CAS:101-68-8 KEGG COMPOUND CAS:101-68-8 NIST Chemistry WebBook Gmelin:166464 Gmelin PMID:11927838 Europe PMC PMID:1447476 Europe PMC PMID:14531868 Europe PMC PMID:17042142 Europe PMC PMID:17336832 Europe PMC PMID:18352975 Europe PMC PMID:18418755 Europe PMC PMID:18484168 Europe PMC PMID:18787742 Europe PMC PMID:19014769 Europe PMC PMID:19191163 Europe PMC PMID:19732394 Europe PMC PMID:19757291 Europe PMC PMID:20165612 Europe PMC PMID:20933064 Europe PMC PMID:21414210 Europe PMC PMID:21878336 Europe PMC PMID:21987383 Europe PMC PMID:24572447 Europe PMC PMID:26337647 Europe PMC PMID:26690039 Europe PMC PMID:26954368 Europe PMC PMID:6296214 Europe PMC PMID:6821040 Europe PMC PMID:8093967 Europe PMC PMID:8711735 Europe PMC PMID:8960156 Europe PMC Reaxys:797662 Reaxys 1,1'-methylenebis(4-isocyanatobenzene) IUPAC Diphenylmethane-4,4'-diisocyanate NIST_Chemistry_WebBook 1,1'-Methylenebis(4-isocyanatobenzene) ChemIDplus 4,4'-Diisocyanatodiphenylmethane ChemIDplus 4,4'-Diphenylmethane diisocyanate ChemIDplus 4,4'-Methylenebis(phenyl isocyanate) ChemIDplus 4,4'-Methylenedi(phenyl isocyanate) ChemIDplus 4,4'-Methylenedi-p-phenylene diisocyanate ChemIDplus 4,4'-Methylenediphenyl diisocyanate ChemIDplus 4,4'-Methylenediphenyl isocyanate ChemIDplus 4,4'-Methylenediphenylene diisocyanate ChemIDplus 4,4'-Methylenediphenylene isocyanate ChemIDplus 4,4'-methylene diphenyl diisocyanate ChEBI 4-4'-Diisocyanate de diphenylmethane ChemIDplus Bis(1,4-isocyanatophenyl)methane ChemIDplus Bis(4-isocyanatophenyl)methane ChemIDplus Bis(p-isocyanatophenyl)methane ChemIDplus Bis(para-isocyanatophenyl)methane ChemIDplus Diphenyl methane diisocyanate ChemIDplus Diphenylmethan-4,4'-diisocyanat ChemIDplus Diphenylmethane diisocyanate ChemIDplus Diphenylmethyl diisocyanate ChemIDplus MDI ChemIDplus MDR ChemIDplus Methylbisphenyl isocyanate ChemIDplus Methylene bisphenyl isocyanate ChemIDplus Methylene di-p-phenylene isocyanate ChemIDplus Methylene diphenyl diisocyanate ChEBI Methylenebis(4-isocyanatobenzene) ChemIDplus Methylenebis(4-phenyl isocyanate) ChemIDplus Methylenebis(4-phenylene isocyanate) ChemIDplus Methylenebis(p-phenyl isocyanate) ChemIDplus Methylenebis(p-phenylene isocyanate) ChemIDplus Methylenebis(para-phenyl isocyanate) ChemIDplus Methylenebis(para-phenylene isocyanate) ChemIDplus Methylenebisphenyl diisocyanate KEGG_COMPOUND Methylenedi-p-phenylene diisocyanate ChemIDplus Methylenedi-para-phenylene diisocyanate ChemIDplus p,p'-Diphenylmethane diisocyanate ChemIDplus p,p'-Methylenebis(phenyl isocyanate) ChemIDplus para,para'-Diphenylmethane diisocyanate ChemIDplus para,para'-Methylenebis(phenyl isocyanate) ChemIDplus A macromolecule composed of repeating alkane or substituted alkane units. chebi_ontology poly(alkene) poly(alkene)s poly(alkylene) poly(alkylene)s poly(olefin) poly(olefin)s polyalkene polyalkenes polyalkylene polyalkylenes polyolefin polyolefins CHEBI:53225 poly(alkylene) macromolecule poly(alkene) SUBMITTER poly(alkene)s SUBMITTER poly(alkylene) ChEBI poly(alkylene)s SUBMITTER poly(olefin) SUBMITTER poly(olefin)s SUBMITTER polyalkene SUBMITTER polyalkenes SUBMITTER polyalkylene SUBMITTER polyalkylenes SUBMITTER polyolefin SUBMITTER polyolefins SUBMITTER A macromolecule composed of ethane or substituted ethane units. chebi_ontology poly(ethene)s poly(ethylene)s polyethenes polyethylene polyethylenes CHEBI:53226 polyethylene macromolecule poly(ethene)s SUBMITTER poly(ethylene)s SUBMITTER polyethenes SUBMITTER polyethylene ChEBI polyethylenes ChEBI A macromolecule composed of units connected by dicarboximide (-C(=O)-NR-C(=O)-) linkages, where R can be H or organyl. Beilstein:10521859 chebi_ontology PIs poly(imide)s polyimide polyimides CHEBI:53232 polyimide macromolecule Beilstein:10521859 Beilstein PIs SUBMITTER poly(imide)s SUBMITTER polyimide ChEBI polyimides ChEBI A macromolecule composed of repeating -CHR-CH2- units. chebi_ontology vinyl polymer vinyl polymers CHEBI:53242 vinyl polymer macromolecule vinyl polymer ChEBI vinyl polymers SUBMITTER A halophenol in which the halogen atom is bonded to the carbon atom adjacent to the C-OH group. 0 C6H5OX 93.10330 93.03404 Oc1ccccc1* chebi_ontology 2-halophenols CHEBI:53291 2-halophenol 2-halophenols ChEBI A macromolecule derived from two or more species of monomer. CHEBI:53178 chebi_ontology co-polymer co-polymers copolymer copolymers heteropolymer heteropolymers CHEBI:53310 copolymer macromolecule co-polymer SUBMITTER co-polymers SUBMITTER copolymer ChEBI copolymers SUBMITTER heteropolymer ChEBI heteropolymers ChEBI Any fatty acid containing at least one C=C double bond. PMID:832335 chebi_ontology CHEBI:53339 olefinic fatty acid PMID:832335 Europe PMC A drug that binds to and activates gamma-hydroxybutyric acid receptors. chebi_ontology GHB receptor agonists CHEBI:53353 GHB receptor agonist GHB receptor agonists ChEBI methyl cellulose An ether compound having methyl and isopropyl as the two alkyl groups. 0 C4H10O InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3 RMGHERXMTMUMMV-UHFFFAOYSA-N 74.12160 74.07316 COC(C)C Beilstein:1696912 CAS:598-53-8 Gmelin:1420129 PMID:10826603 PMID:10923823 PMID:20989225 Reaxys:1696912 2-methoxypropane chebi_ontology Isopropyl methyl ether Methyl isopropyl ether i-C3H7OCH3 CHEBI:53505 2-methoxypropane Beilstein:1696912 Beilstein CAS:598-53-8 ChemIDplus CAS:598-53-8 NIST Chemistry WebBook Gmelin:1420129 Gmelin PMID:10826603 Europe PMC PMID:10923823 Europe PMC PMID:20989225 Europe PMC Reaxys:1696912 Reaxys 2-methoxypropane IUPAC Isopropyl methyl ether ChemIDplus Methyl isopropyl ether ChemIDplus i-C3H7OCH3 NIST_Chemistry_WebBook A diisocyanate that consists of toluene bearing two isocyanato functional groups positioned meta to one another. 0 C9H6N2O2 174.156 174.04293 CAS:26471-62-5 KEGG:C19560 PMID:10525268 PMID:17042142 PMID:210646 PMID:24572447 PMID:6254424 PMID:9114980 chebi_ontology 1,3-Diisocyanatomethylbenzene 2,4/2,6-Toluene diisocyanate isomeric mixture 2,4/2,6-toluene diisocyanate Diisocyanatotoluene Methyl-m-phenylene isocyanate Methyl-meta-phenylene diisocyanate Methylphenylene isocyanate TDI TDI 80-20 Tolylene isocyanate toluene diisocyanate CHEBI:53555 toluene meta-diisocyanate CAS:26471-62-5 ChemIDplus CAS:26471-62-5 KEGG COMPOUND PMID:10525268 Europe PMC PMID:17042142 Europe PMC PMID:210646 Europe PMC PMID:24572447 Europe PMC PMID:6254424 Europe PMC PMID:9114980 Europe PMC 1,3-Diisocyanatomethylbenzene ChEBI 2,4/2,6-Toluene diisocyanate isomeric mixture ChemIDplus 2,4/2,6-toluene diisocyanate ChEBI Diisocyanatotoluene ChemIDplus Methyl-m-phenylene isocyanate ChemIDplus Methyl-meta-phenylene diisocyanate ChemIDplus Methylphenylene isocyanate ChemIDplus TDI ChemIDplus TDI 80-20 ChemIDplus Tolylene isocyanate ChemIDplus toluene diisocyanate ChEBI A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. 0 C9H6N2O2 InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 DVKJHBMWWAPEIU-UHFFFAOYSA-N 174.15610 174.04293 Cc1ccc(cc1N=C=O)N=C=O Beilstein:744602 CAS:584-84-9 PMID:17042142 PMID:19647056 PMID:21725071 PMID:21878336 PMID:22151392 PMID:22206939 PMID:22229538 PMID:24572447 PMID:24950844 PMID:25042713 PMID:6296214 PMID:9811173 Reaxys:744602 Wikipedia:Toluene_diisocyanate 2,4-diisocyanato-1-methylbenzene chebi_ontology 2,4-Diisocyanatotoluene 2,4-TDI 2,4-Toluene diisocyanate 2,4-Tolylene diisocyanate 4-Methyl-m-phenylene diisocyanate Isocyanic acid, 4-methyl-m-phenylene ester TDI Toluylene-2,4-diisocyanate Tolylene-2,4-diisocyanate toluene-2,4-diyl diisocyanate CHEBI:53556 toluene 2,4-diisocyanate Beilstein:744602 Beilstein CAS:584-84-9 ChemIDplus CAS:584-84-9 NIST Chemistry WebBook PMID:17042142 Europe PMC PMID:19647056 Europe PMC PMID:21725071 Europe PMC PMID:21878336 Europe PMC PMID:22151392 Europe PMC PMID:22206939 Europe PMC PMID:22229538 Europe PMC PMID:24572447 Europe PMC PMID:24950844 Europe PMC PMID:25042713 Europe PMC PMID:6296214 Europe PMC PMID:9811173 Europe PMC Reaxys:744602 Reaxys 2,4-diisocyanato-1-methylbenzene IUPAC 2,4-Diisocyanatotoluene ChemIDplus 2,4-TDI ChemIDplus 2,4-Toluene diisocyanate ChemIDplus 2,4-Tolylene diisocyanate ChemIDplus 4-Methyl-m-phenylene diisocyanate ChemIDplus Isocyanic acid, 4-methyl-m-phenylene ester ChemIDplus TDI ChEBI Toluylene-2,4-diisocyanate NIST_Chemistry_WebBook Tolylene-2,4-diisocyanate NIST_Chemistry_WebBook toluene-2,4-diyl diisocyanate ChEBI A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring. 0 C9H6N2O2 InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3 RUELTTOHQODFPA-UHFFFAOYSA-N 174.15610 174.04293 Cc1c(cccc1N=C=O)N=C=O Beilstein:2211546 CAS:91-08-7 PMID:17042142 PMID:21725071 PMID:21878336 PMID:22229538 PMID:24572447 PMID:24950844 PMID:6296214 PMID:7503403 PMID:9811173 Reaxys:2211546 Wikipedia:Toluene_diisocyanate 1,3-diisocyanato-2-methylbenzene chebi_ontology 2,6-Diisocyanato-1-methylbenzene 2,6-Diisocyanatotoluene 2,6-TDI 2,6-Toluene diisocyanate 2-Methyl-meta-phenylene isocyanate Isocyanic acid, 2-methyl-meta-phenylene ester TDI m-Tolylene diisocyanate meta-Tolylene diisocyanate CHEBI:53557 toluene 2,6-diisocyanate Beilstein:2211546 Beilstein CAS:91-08-7 ChemIDplus PMID:17042142 Europe PMC PMID:21725071 Europe PMC PMID:21878336 Europe PMC PMID:22229538 Europe PMC PMID:24572447 Europe PMC PMID:24950844 Europe PMC PMID:6296214 Europe PMC PMID:7503403 Europe PMC PMID:9811173 Europe PMC Reaxys:2211546 Reaxys 1,3-diisocyanato-2-methylbenzene IUPAC 2,6-Diisocyanato-1-methylbenzene ChemIDplus 2,6-Diisocyanatotoluene ChemIDplus 2,6-TDI ChEBI 2,6-Toluene diisocyanate ChemIDplus 2-Methyl-meta-phenylene isocyanate ChemIDplus Isocyanic acid, 2-methyl-meta-phenylene ester ChemIDplus TDI ChEBI m-Tolylene diisocyanate ChemIDplus meta-Tolylene diisocyanate ChemIDplus A topoisomerase inhibitor that inhibits DNA topoisomerase IV, which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. chebi_ontology topoisomerase IV inhibitors CHEBI:53559 topoisomerase IV inhibitor topoisomerase IV inhibitors ChEBI A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group. 0 C8H12N2O2 InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2 RRAMGCGOFNQTLD-UHFFFAOYSA-N 168.19310 168.08988 O=C=NCCCCCCN=C=O Beilstein:956709 CAS:822-06-0 Gmelin:50636 PMID:11927838 PMID:16731584 PMID:17042142 PMID:21878336 PMID:22293954 PMID:22419182 PMID:22449630 PMID:23178851 PMID:23262421 PMID:23421488 PMID:24083673 PMID:6296214 Reaxys:956709 Wikipedia:Hexamethylene_diisocyanate 1,6-diisocyanatohexane Hexamethylene diisocyanate chebi_ontology 1,6-Diisocyanatohexane 1,6-Hexamethylene diisocyanate 1,6-Hexanediol diisocyanate 1,6-Hexylene diisocyanate HDI HMDI Hexamethylene-1,6-diisocyanate Hexane 1,6-diisocyanate CHEBI:53578 hexamethylene diisocyanate Beilstein:956709 Beilstein CAS:822-06-0 ChemIDplus CAS:822-06-0 NIST Chemistry WebBook Gmelin:50636 Gmelin PMID:11927838 Europe PMC PMID:16731584 Europe PMC PMID:17042142 Europe PMC PMID:21878336 Europe PMC PMID:22293954 Europe PMC PMID:22419182 Europe PMC PMID:22449630 Europe PMC PMID:23178851 Europe PMC PMID:23262421 Europe PMC PMID:23421488 Europe PMC PMID:24083673 Europe PMC PMID:6296214 Europe PMC Reaxys:956709 Reaxys 1,6-diisocyanatohexane IUPAC Hexamethylene diisocyanate NIST_Chemistry_WebBook 1,6-Diisocyanatohexane ChemIDplus 1,6-Hexamethylene diisocyanate ChemIDplus 1,6-Hexanediol diisocyanate ChemIDplus 1,6-Hexylene diisocyanate ChemIDplus HDI ChemIDplus HMDI NIST_Chemistry_WebBook Hexamethylene-1,6-diisocyanate ChemIDplus Hexane 1,6-diisocyanate ChemIDplus A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product Kathon(TM). 0 C4H5NOS InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3 BEGLCMHJXHIJLR-UHFFFAOYSA-N 115.15400 115.00918 Cn1sccc1=O Beilstein:606203 CAS:2682-20-4 PMID:18198720 PMID:21504436 PMID:21616561 PMID:21777214 PMID:23340392 PMID:23510348 PMID:23510349 PMID:23601061 Patent:EP2289335 Reaxys:606203 Wikipedia:Methylisothiazolinone 2-methyl-1,2-thiazol-3(2H)-one chebi_ontology 2-Methyl-3(2H)-isothiazolone 2-Methyl-4-isothiazolin-3-one MI MIT CHEBI:53620 methylisothiazolinone Beilstein:606203 Beilstein CAS:2682-20-4 ChemIDplus CAS:2682-20-4 NIST Chemistry WebBook PMID:18198720 Europe PMC PMID:21504436 Europe PMC PMID:21616561 Europe PMC PMID:21777214 Europe PMC PMID:23340392 Europe PMC PMID:23510348 Europe PMC PMID:23510349 Europe PMC PMID:23601061 Europe PMC Reaxys:606203 Reaxys 2-methyl-1,2-thiazol-3(2H)-one IUPAC 2-Methyl-3(2H)-isothiazolone ChemIDplus 2-Methyl-4-isothiazolin-3-one ChemIDplus MI ChEBI MIT ChEBI A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C-5. It is a powerful biocide and preservative and is the major active ingredient in the commercial product Kathon(TM). 0 C4H4ClNOS InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3 DHNRXBZYEKSXIM-UHFFFAOYSA-N 149.59900 148.97021 Cn1sc(Cl)cc1=O Beilstein:1210149 CAS:26172-55-4 PMID:10416701 PMID:20492831 PMID:20566902 PMID:21616561 PMID:22994269 PMID:23510348 PMID:23510349 Reaxys:1210149 Wikipedia:Methylchloroisothiazolinone 5-chloro-2-methyl-1,2-thiazol-3(2H)-one chebi_ontology 2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole 5-Chloro-2-methyl-4-isothiazolin-3-one 5-chloro-2-methyl-2H-isothiazol-3-one CMIT MCI methylchloroisothiazolinone CHEBI:53621 chloromethylisothiazolinone Beilstein:1210149 Beilstein CAS:26172-55-4 ChemIDplus CAS:26172-55-4 NIST Chemistry WebBook PMID:10416701 Europe PMC PMID:20492831 Europe PMC PMID:20566902 Europe PMC PMID:21616561 Europe PMC PMID:22994269 Europe PMC PMID:23510348 Europe PMC PMID:23510349 Europe PMC Reaxys:1210149 Reaxys 5-chloro-2-methyl-1,2-thiazol-3(2H)-one IUPAC 2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole NIST_Chemistry_WebBook 5-Chloro-2-methyl-4-isothiazolin-3-one ChemIDplus 5-chloro-2-methyl-2H-isothiazol-3-one NIST_Chemistry_WebBook CMIT ChEBI MCI ChEBI methylchloroisothiazolinone ChEBI A cephalosporin carboxylis acid anion having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups, formed by proton loss from the carboxy group of ceftriaxone. -1 C18H17N8O7S3 InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/p-1/b24-8-/t9-,15-/m1/s1 VAAUVRVFOQPIGI-SPQHTLEESA-M 553.57200 553.03878 [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O Beilstein:7066100 MetaCyc:CPD-12294 Reaxys:7066100 (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate chebi_ontology CHEBI:53658 ceftriaxone(1-) Beilstein:7066100 Beilstein Reaxys:7066100 Reaxys (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate IUPAC A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography. 0 C11H9I3N2O4 InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20) YVPYQUNUQOZFHG-UHFFFAOYSA-N 613.91360 613.76964 CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I Beilstein:2225144 CAS:117-96-4 DrugBank:DB00271 Drug_Central:851 HMDB:HMDB0014416 KEGG:D02240 PMID:15206581 PMID:1742128 PMID:1910999 PMID:24662206 PMID:7756847 Reaxys:2225144 Wikipedia:Diatrizoic_acid 3,5-diacetamido-2,4,6-triiodobenzoic acid chebi_ontology 2,4,6-Triiodo-3,5-diacetamidobenzoic acid 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid Acide amidotrizoique Acidum amidotrizoicum Acidum diacetylaminotrijodbenzoicum Amidotrizoate Diatrizoate Diatrizoesaure Diatrizoic acid Methalamic acid Triombrin Urografin acid Urogranoic acid amidotrizoic acid (anhydrous) diatrizoic acid (anhydrous) CHEBI:53691 amidotrizoic acid Beilstein:2225144 Beilstein CAS:117-96-4 ChemIDplus CAS:117-96-4 DrugBank CAS:117-96-4 KEGG DRUG Drug_Central:851 DrugCentral PMID:15206581 Europe PMC PMID:1742128 Europe PMC PMID:1910999 Europe PMC PMID:24662206 Europe PMC PMID:7756847 Europe PMC Reaxys:2225144 Reaxys 3,5-diacetamido-2,4,6-triiodobenzoic acid IUPAC 2,4,6-Triiodo-3,5-diacetamidobenzoic acid ChemIDplus 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid ChemIDplus Acide amidotrizoique ChemIDplus Acidum amidotrizoicum ChEBI Acidum diacetylaminotrijodbenzoicum ChEBI Amidotrizoate ChemIDplus Diatrizoate ChemIDplus Diatrizoesaure ChEBI Diatrizoic acid KEGG_DRUG Methalamic acid DrugBank Triombrin ChemIDplus Urografin acid DrugBank Urogranoic acid DrugBank amidotrizoic acid (anhydrous) ChEBI diatrizoic acid (anhydrous) ChEBI A macromolecule composed of repeating (2Z)-2-chlorobut-2-ene-1,4-diyl units. 0 (C4H5Cl)n CAS:9010-98-4 KEGG:C19502 poly(2-chloro-1,3-butadiene) poly[(2Z)-2-chlorobut-2-ene-1,4-diyl] chebi_ontology 1,4-cis-Poly(chloropene) 2-Chloro-1,3-butadiene polymer Poly(2-chloro-1,3-butadiene) Poly(2-chlorobutadiene) neoprene poly(chloroprene) polychloroprene trans-1,4-Polychloroprene CHEBI:53724 poly(chloroprene) macromolecule CAS:9010-98-4 ChemIDplus CAS:9010-98-4 KEGG COMPOUND poly(2-chloro-1,3-butadiene) IUPAC poly[(2Z)-2-chlorobut-2-ene-1,4-diyl] IUPAC 1,4-cis-Poly(chloropene) ChemIDplus 2-Chloro-1,3-butadiene polymer ChemIDplus Poly(2-chloro-1,3-butadiene) ChemIDplus Poly(2-chlorobutadiene) ChemIDplus neoprene SUBMITTER poly(chloroprene) ChEBI polychloroprene SUBMITTER trans-1,4-Polychloroprene ChemIDplus An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of IMP dehydrogenase (EC 1.1.1.205), so blocking de novo biosynthesis of purine nucleotides. chebi_ontology EC 1.1.1.205 (IMP dehydrogenase) inhibitors EC 1.1.1.205 inhibitor EC 1.1.1.205 inhibitors IMP dehydrogenase (EC 1.1.1.205) inhibitor IMP dehydrogenase (EC 1.1.1.205) inhibitors IMP dehydrogenase inhibitor IMP dehydrogenase inhibitors IMP oxidoreductase inhibitor IMP oxidoreductase inhibitors IMP:NAD(+) oxidoreductase inhibitor IMP:NAD(+) oxidoreductase inhibitors inosinate dehydrogenase inhibitor inosinate dehydrogenase inhibitors inosine 5'-monophosphate dehydrogenase inhibitors inosine monophosphate dehydrogenase inhibitor inosine monophosphate dehydrogenase inhibitors inosine monophosphate oxidoreductase inhibitor inosine monophosphate oxidoreductase inhibitors inosinic acid dehydrogenase inhibitor inosinic acid dehydrogenase inhibitors CHEBI:53746 EC 1.1.1.205 (IMP dehydrogenase) inhibitor EC 1.1.1.205 (IMP dehydrogenase) inhibitors ChEBI EC 1.1.1.205 inhibitor ChEBI EC 1.1.1.205 inhibitors ChEBI IMP dehydrogenase (EC 1.1.1.205) inhibitor ChEBI IMP dehydrogenase (EC 1.1.1.205) inhibitors ChEBI IMP dehydrogenase inhibitor ChEBI IMP dehydrogenase inhibitors ChEBI IMP oxidoreductase inhibitor ChEBI IMP oxidoreductase inhibitors ChEBI IMP:NAD(+) oxidoreductase inhibitor ChEBI IMP:NAD(+) oxidoreductase inhibitors ChEBI inosinate dehydrogenase inhibitor ChEBI inosinate dehydrogenase inhibitors ChEBI inosine 5'-monophosphate dehydrogenase inhibitors ChEBI inosine monophosphate dehydrogenase inhibitor ChEBI inosine monophosphate dehydrogenase inhibitors ChEBI inosine monophosphate oxidoreductase inhibitor ChEBI inosine monophosphate oxidoreductase inhibitors ChEBI inosinic acid dehydrogenase inhibitor ChEBI inosinic acid dehydrogenase inhibitors ChEBI A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. chebi_ontology antispasmodics CHEBI:53784 antispasmodic drug antispasmodics ChEBI A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence. 0 C153H225N43O49S InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1 MASNOZXLGMXCHN-ZLPAWPGGSA-N 3482.74700 3480.61570 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O CAS:16941-32-5 CAS:9007-92-5 DrugBank:DB00040 Drug_Central:2994 KEGG:C01501 KEGG:D00116 PMID:21940356 PMID:22014161 PMID:22154917 PMID:22166985 PMID:22167521 PMID:22214853 PMID:22227186 PMID:22286080 PMID:22294753 PMID:22318544 PMID:22334714 PMID:22399501 PMID:22438981 PMID:22454291 Reaxys:13191924 Wikipedia:Glucagon Glucagon L-histidyl-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-seryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-alpha-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threonine chebi_ontology Glucagone HSQGTFTSDYSKYLDSRRAQDFVQWLMNT His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr His-ser-glu(nh2)-gly-thr-phe-thr-ser-asp-tyr-ser-lys-tyr-leu-asp-ser-arg-arg-ala-glu(NH2)-asp-phe-val-glu(NH2)-trp-leu-met-asp(NH2)-thr glucagon glucagonum CHEBI:5391 glucagon CAS:16941-32-5 ChemIDplus CAS:9007-92-5 ChemIDplus CAS:9007-92-5 KEGG COMPOUND Drug_Central:2994 DrugCentral PMID:21940356 Europe PMC PMID:22014161 Europe PMC PMID:22154917 Europe PMC PMID:22166985 Europe PMC PMID:22167521 Europe PMC PMID:22214853 Europe PMC PMID:22227186 Europe PMC PMID:22286080 Europe PMC PMID:22294753 Europe PMC PMID:22318544 Europe PMC PMID:22334714 Europe PMC PMID:22399501 Europe PMC PMID:22438981 Europe PMC PMID:22454291 Europe PMC Reaxys:13191924 Reaxys Glucagon KEGG_COMPOUND L-histidyl-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-seryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-alpha-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threonine IUPAC Glucagone ChemIDplus HSQGTFTSDYSKYLDSRRAQDFVQWLMNT ChEBI His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr ChEBI His-ser-glu(nh2)-gly-thr-phe-thr-ser-asp-tyr-ser-lys-tyr-leu-asp-ser-arg-arg-ala-glu(NH2)-asp-phe-val-glu(NH2)-trp-leu-met-asp(NH2)-thr ChemIDplus glucagon ChemIDplus glucagonum ChemIDplus glucosamine A dicarboximide that is piperidine which is substituted by oxo groups at positions 2 and 6. 0 C5H7NO2 InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8) KNCYXPMJDCCGSJ-UHFFFAOYSA-N 113.11460 113.04768 O=C1CCCC(=O)N1 Beilstein:110052 CAS:1121-89-7 Gmelin:971891 KEGG:C07275 PMID:10783491 Reaxys:110052 Piperidine-2,6-dione piperidine-2,6-dione chebi_ontology 2,6-Diketopiperidine 2,6-piperidinedione Glutarimide CHEBI:5435 piperidine-2,6-dione Beilstein:110052 Beilstein CAS:1121-89-7 ChemIDplus CAS:1121-89-7 KEGG COMPOUND CAS:1121-89-7 NIST Chemistry WebBook Gmelin:971891 Gmelin PMID:10783491 Europe PMC Reaxys:110052 Reaxys Piperidine-2,6-dione KEGG_COMPOUND piperidine-2,6-dione IUPAC 2,6-Diketopiperidine KEGG_COMPOUND 2,6-piperidinedione ChemIDplus Glutarimide KEGG_COMPOUND An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. 0 C23H28ClN3O5S InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) ZNNLBTZKUZBEKO-UHFFFAOYSA-N 494.00400 493.14382 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Beilstein:2230085 CAS:10238-21-8 DrugBank:DB01016 Drug_Central:1314 KEGG:C07022 KEGG:D00336 LINCS:LSM-2811 PMID:16081479 PMID:20797618 Patent:NL6603398 Patent:NL6610580 Patent:US3454635 Wikipedia:Glibenclamide 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide Glyburide chebi_ontology 1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide Diabeta Glynase Micronase glibenclamida glibenclamide glibenclamidum CHEBI:5441 glyburide Beilstein:2230085 Beilstein CAS:10238-21-8 ChemIDplus CAS:10238-21-8 KEGG COMPOUND Drug_Central:1314 DrugCentral PMID:16081479 Europe PMC PMID:20797618 Europe PMC 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide IUPAC Glyburide KEGG_COMPOUND 1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea ChemIDplus 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea ChemIDplus 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide ChemIDplus Diabeta KEGG_DRUG Glynase KEGG_DRUG Micronase KEGG_DRUG glibenclamida DrugBank glibenclamide KEGG_DRUG glibenclamide WHO_MedNet glibenclamidum DrugBank A compound that exhibits agonist activity at the mu-opioid receptor. CHEBI:50136 chebi_ontology mu opioid agonist mu-opioid agonists mu-opioid receptor agonists CHEBI:55322 mu-opioid receptor agonist mu opioid agonist ChEBI mu-opioid agonists ChEBI mu-opioid receptor agonists ChEBI Any drug found useful in the symptomatic treatment of diarrhoea. chebi_ontology antidiarrheal antidiarrheal agent antidiarrheal agents antidiarrheal drug antidiarrheal drugs antidiarrheals antidiarrhoeal antidiarrhoeal agent antidiarrhoeal agents antidiarrhoeal drugs antidiarrhoeals antiperistaltic antiperistaltic agent antiperistaltic agents antiperistaltic drug antiperistaltic drugs antiperistaltics CHEBI:55323 antidiarrhoeal drug antidiarrheal ChEBI antidiarrheal agent ChEBI antidiarrheal agents ChEBI antidiarrheal drug ChEBI antidiarrheal drugs ChEBI antidiarrheals ChEBI antidiarrhoeal ChEBI antidiarrhoeal agent ChEBI antidiarrhoeal agents ChEBI antidiarrhoeal drugs ChEBI antidiarrhoeals ChEBI antiperistaltic ChEBI antiperistaltic agent ChEBI antiperistaltic agents ChEBI antiperistaltic drug ChEBI antiperistaltic drugs ChEBI antiperistaltics ChEBI A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. chebi_ontology gastrointestinal agent gastrointestinal agents gastrointestinal drugs CHEBI:55324 gastrointestinal drug gastrointestinal agent ChEBI gastrointestinal agents ChEBI gastrointestinal drugs ChEBI The bitartrate salt of pentolinium. 0 C23H42N2O12 InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1 HSMKTIKKPMTUQH-WBPXWQEISA-L 538.58580 538.27377 O[C@H]([C@@H](O)C([O-])=O)C(O)=O.O[C@H]([C@@H](O)C([O-])=O)C(O)=O.C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 Beilstein:5216205 CAS:52-62-0 DrugBank:DB01090 PMID:13234334 PMID:13365064 PMID:13649541 PMID:14351794 PMID:14353636 PMID:588388 PMID:6196640 Reaxys:5216205 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) bis[(2R,3R)-3-carboxy-2,3-dihydroxypropanoate] chebi_ontology Pendine Pentalinium tartrate Pentamethylene-1,5-bis(1'-methylpyrrolidinium tartrate) Pentapyrrolidium bitartrate Pentolinium bitartrate Pentolinium ditartrate Pentolonii tartras Pentolonium tartrate Recuryl Tartrate de pentolonium Tartrato de pentolonio Tensilest pentolineum tartrate CHEBI:55326 pentolinium tartrate Beilstein:5216205 Beilstein CAS:52-62-0 ChemIDplus PMID:13234334 Europe PMC PMID:13365064 Europe PMC PMID:13649541 Europe PMC PMID:14351794 Europe PMC PMID:14353636 Europe PMC PMID:588388 Europe PMC PMID:6196640 Europe PMC Reaxys:5216205 Reaxys 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) bis[(2R,3R)-3-carboxy-2,3-dihydroxypropanoate] IUPAC Pendine ChemIDplus Pentalinium tartrate ChemIDplus Pentamethylene-1,5-bis(1'-methylpyrrolidinium tartrate) ChemIDplus Pentapyrrolidium bitartrate ChemIDplus Pentolinium bitartrate ChemIDplus Pentolinium ditartrate ChemIDplus Pentolonii tartras ChemIDplus Pentolonium tartrate ChemIDplus Recuryl ChemIDplus Tartrate de pentolonium ChemIDplus Tartrato de pentolonio ChemIDplus Tensilest ChemIDplus pentolineum tartrate ChEBI A nitrogen oxoanion arising from deprotonation of the hydroxy group of nitroethane. -1 C2H4NO2 InChI=1S/C2H4NO2/c1-2-3(4)5/h2H,1H3/q-1 YERBBVNYIKLXDM-UHFFFAOYSA-N 74.05870 74.02475 CC=[N+]([O-])[O-] CAS:25590-58-3 KEGG:C18091 PMID:19577534 [ethylidene(oxido)-lambda(5)-azanyl]oxidanide chebi_ontology Ethanenitronate Nitroethane aci-anion Nitroethane anion aci-Nitroethane ion(1-) ethylnitronate(1-) CHEBI:55327 aci-nitroethane(1-) CAS:25590-58-3 ChemIDplus PMID:19577534 Europe PMC [ethylidene(oxido)-lambda(5)-azanyl]oxidanide IUPAC Ethanenitronate ChemIDplus Nitroethane aci-anion ChemIDplus Nitroethane anion ChemIDplus aci-Nitroethane ion(1-) ChemIDplus ethylnitronate(1-) ChEBI Any salt of camphorsulfonic acid. chebi_ontology camphorsulfonates camsilate camsilates camsylate camsylates CHEBI:55339 camphorsulfonate salt camphorsulfonates ChEBI camsilate ChEBI camsilates ChEBI camsylate ChEBI camsylates ChEBI A class of anticoagulants which act by inhibiting the action of vitamin K. chebi_ontology vitamin K antagonists CHEBI:55347 vitamin K antagonist vitamin K antagonists ChEBI The (R)-enantiomer of atenolol. 0 C14H22N2O3 InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 METKIMKYRPQLGS-GFCCVEGCSA-N 266.33610 266.16304 CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 Beilstein:4234250 CAS:56715-13-0 DrugBank:DB00335 LINCS:LSM-5757 2-[4-({(2R)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide chebi_ontology (+)-Atenolol (R)-(+)-Atenolol atenolol atenololum CHEBI:55352 (R)-atenolol Beilstein:4234250 Beilstein CAS:56715-13-0 ChemIDplus 2-[4-({(2R)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide IUPAC (+)-Atenolol ChemIDplus (R)-(+)-Atenolol ChemIDplus atenolol ChEBI atenololum ChEBI Compounds containing an ifosfamide skeleton. chebi_ontology isosfamides CHEBI:55369 ifosfamides isosfamides ChEBI An imidazolidine containing one or more oxo groups. chebi_ontology imidazolidinones CHEBI:55370 imidazolidinone imidazolidinones ChEBI Oxazoles in which the N and O atoms are adjacent. CHEBI:46813 isoxazoles chebi_ontology 1,2-oxazoles CHEBI:55373 isoxazoles isoxazoles ChEBI 1,2-oxazoles ChEBI An oxazolidine containing one or more oxo groups. chebi_ontology oxazolidinones CHEBI:55374 oxazolidinone oxazolidinones ChEBI A sulfonic acid containing the camphorsulfonate anion. 0 C10H16O4S InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14) MIOPJNTWMNEORI-UHFFFAOYSA-N 232.29700 232.07693 CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2 Beilstein:2216194 CAS:3144-16-9 (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid chebi_ontology 10-CSA 2-Oxobornane-10-sulphonic acid CSA Camphersulfosaeure Reychler's acid CHEBI:55379 camphorsulfonic acid Beilstein:2216194 Beilstein CAS:3144-16-9 ChemIDplus (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid IUPAC 10-CSA ChEBI 2-Oxobornane-10-sulphonic acid ChemIDplus CSA ChEBI Camphersulfosaeure ChemIDplus Reychler's acid ChemIDplus A ketone containing a hydroxy group on the beta-carbon relative to the C=O group. chebi_ontology beta-hydroxy ketones beta-hydroxyketone beta-hydroxyketones CHEBI:55380 beta-hydroxy ketone beta-hydroxy ketones ChEBI beta-hydroxyketone ChEBI beta-hydroxyketones ChEBI A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum. 0 C6H12O2 InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 SWXVUIWOUIDPGS-UHFFFAOYSA-N 116.15830 116.08373 CC(=O)CC(C)(C)O Beilstein:1740440 CAS:123-42-2 HMDB:HMDB0031511 PMID:16718565 PMID:18155147 PMID:24227491 Reaxys:1740440 Wikipedia:Diacetone_alcohol chebi_ontology 2-Methyl-2-pentanol-4-one 4-Hydroxy-2-keto-4-methylpentane 4-Hydroxy-4-methyl-2-pentanone 4-hydroxy-4-methylpentan-2-one Acetonyldimethylcarbinol Diacetonalkohol Diacetone-alcool Diacetonyl alcohol Dimethyl acetonyl carbinol CHEBI:55381 diacetone alcohol Beilstein:1740440 Beilstein CAS:123-42-2 ChemIDplus CAS:123-42-2 NIST Chemistry WebBook PMID:16718565 Europe PMC PMID:18155147 Europe PMC PMID:24227491 Europe PMC Reaxys:1740440 Reaxys 2-Methyl-2-pentanol-4-one ChemIDplus 4-Hydroxy-2-keto-4-methylpentane ChemIDplus 4-Hydroxy-4-methyl-2-pentanone ChemIDplus 4-hydroxy-4-methylpentan-2-one ChemIDplus Acetonyldimethylcarbinol ChemIDplus Diacetonalkohol ChemIDplus Diacetone-alcool ChemIDplus Diacetonyl alcohol ChemIDplus Dimethyl acetonyl carbinol ChemIDplus Any salt or ester of camphorsulfonic acid. chebi_ontology CHEBI:55382 camphorsulfonates The conjugate base of camphorsulfonic acid. -1 C10H15O4S InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1 MIOPJNTWMNEORI-UHFFFAOYSA-M 231.28900 231.06965 CC1(C)C2CCC1(CS([O-])(=O)=O)C(=O)C2 Beilstein:3909522 (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate chebi_ontology 2-oxobornane-10-sulfonate 2-oxobornane-10-sulphonate CHEBI:55384 camphorsulfonate anion Beilstein:3909522 Beilstein (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate IUPAC 2-oxobornane-10-sulfonate ChEBI 2-oxobornane-10-sulphonate ChEBI The R enantiomer of camphorsulfonic acid. 0 C10H16O4S InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m0/s1 MIOPJNTWMNEORI-XVKPBYJWSA-N 232.29700 232.07693 CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2 Beilstein:2809676 CAS:35963-20-3 Reaxys:2809676 [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid chebi_ontology (-)-10-CSA (-)-camphorsulfonic acid CHEBI:55401 (R)-camphorsulfonic acid Beilstein:2809676 Beilstein CAS:35963-20-3 ChemIDplus Reaxys:2809676 Reaxys [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid IUPAC (-)-10-CSA ChEBI (-)-camphorsulfonic acid ChemIDplus The S enantiomer of camphorsulfonic acid. 0 C10H16O4S InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m1/s1 MIOPJNTWMNEORI-GMSGAONNSA-N 232.29700 232.07693 CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2 Beilstein:2809675 CAS:3144-16-9 Reaxys:2809675 [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid chebi_ontology (1S)-(+)-10-camphorsulfonic acid (1S)-(+)-CSA (1S)-10-camphorsulfonic acid (1S,4R)-(+)-2-oxo-10-bornanesulfonic acid Camphersulfosaeure Reychler's acid d-Camphorsulfonic acid CHEBI:55403 (S)-camphorsulfonic acid Beilstein:2809675 Beilstein CAS:3144-16-9 ChemIDplus Reaxys:2809675 Reaxys [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid IUPAC (1S)-(+)-10-camphorsulfonic acid ChEBI (1S)-(+)-CSA ChEBI (1S)-10-camphorsulfonic acid ChEBI (1S,4R)-(+)-2-oxo-10-bornanesulfonic acid ChemIDplus Camphersulfosaeure ChemIDplus Reychler's acid ChemIDplus d-Camphorsulfonic acid ChemIDplus The R enantiomer of camphorsulfonate. -1 C10H15O4S InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1 MIOPJNTWMNEORI-XVKPBYJWSA-M 231.28900 231.06965 CC1(C)[C@H]2CC[C@]1(CS([O-])(=O)=O)C(=O)C2 Beilstein:3909523 Reaxys:3909523 [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate chebi_ontology R-camphorsulfonate anion CHEBI:55407 (R)-camphorsulfonate Beilstein:3909523 Beilstein Reaxys:3909523 Reaxys [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate IUPAC R-camphorsulfonate anion ChEBI The S enantiomer of camphorsulfonate. -1 C10H15O4S InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m1/s1 MIOPJNTWMNEORI-GMSGAONNSA-M 231.28900 231.06965 CC1(C)[C@@H]2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2 Beilstein:3653224 Reaxys:3653224 [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate chebi_ontology CHEBI:55408 (S)-camphorsulfonate Beilstein:3653224 Beilstein Reaxys:3653224 Reaxys [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate IUPAC Compounds containing a cyclic dicarboximide skeleton in which the two carboacyl groups on nitrogen together with the nitrogen itself form a 1H-pyrrole-2,5-dione structure. chebi_ontology CHEBI:55417 maleimides A benzothiazole consisting of a benzene ring fused to an isothiazole. chebi_ontology 1,2-benzisothiazoles CHEBI:55505 1,2-benzisothiazole 1,2-benzisothiazoles ChEBI Any one of a large family of chemically related mycotoxins with a structure based on a sesquiterpene skeleton. The most important structural features causing the biological activities of trichothecenes are a 12,13-epoxy ring, the presence of hydroxy or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. 0 C15H17O2R5 229.29430 229.12285 [H][C@]12O[C@]3([H])[C@H]([*])[C@@H]([*])[C@@](C)(C33CO3)C1(C[*])C([*])C([*])C(C)=C2 chebi_ontology trichothecenes CHEBI:55517 trichothecene trichothecenes ChEBI A member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group. 0 C10H22N4 InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13) ACGDKVXYNVEAGU-UHFFFAOYSA-N 198.30850 198.18445 NC(=N)NCCN1CCCCCCC1 Beilstein:1343950 CAS:55-65-2 DrugBank:DB01170 Drug_Central:1342 HMDB:HMDB0015301 KEGG:C07036 KEGG:D08030 LINCS:LSM-6719 PMID:13690338 PMID:13824829 PMID:13873008 Patent:US2928829 Reaxys:1343950 Wikipedia:Guanethidine 1-(2-azocan-1-ylethyl)guanidine Guanethidine chebi_ontology (2-(Octahydro-1-azocinyl)ethyl)guanidine 2-(1'-Azacyclooctyl)ethylguanidine 2-(1-N,N-Heptamethyleneimino)ethylguanidine Azocine, 1-(2-guanidinoethyl)octahydro- Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)- Heptamethylenimine, 1-(2-guanidinoethyl)- N-(2-Perhydroazocin-1-ylethyl)guanidine guanethidine guanethidinum guanetidina CHEBI:5557 guanethidine Beilstein:1343950 Beilstein CAS:55-65-2 ChemIDplus Drug_Central:1342 DrugCentral PMID:13690338 Europe PMC PMID:13824829 Europe PMC PMID:13873008 Europe PMC Reaxys:1343950 Reaxys 1-(2-azocan-1-ylethyl)guanidine IUPAC Guanethidine KEGG_COMPOUND (2-(Octahydro-1-azocinyl)ethyl)guanidine ChemIDplus 2-(1'-Azacyclooctyl)ethylguanidine ChemIDplus 2-(1-N,N-Heptamethyleneimino)ethylguanidine ChemIDplus Azocine, 1-(2-guanidinoethyl)octahydro- ChemIDplus Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)- ChemIDplus Heptamethylenimine, 1-(2-guanidinoethyl)- ChemIDplus N-(2-Perhydroazocin-1-ylethyl)guanidine ChemIDplus guanethidine ChEBI guanethidinum ChEBI guanetidina ChEBI A compound derived from an alkene by replacing a hydrogen atom with a halogen atom. KEGG:C01706 Haloalkene chebi_ontology haloalkenes CHEBI:5610 haloalkene Haloalkene KEGG_COMPOUND haloalkenes ChEBI A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. 0 C21H23ClFNO2 InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 LNEPOXFFQSENCJ-UHFFFAOYSA-N 375.86400 375.14013 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Beilstein:331267 CAS:52-86-8 DrugBank:DB00502 Drug_Central:1353 KEGG:C01814 KEGG:D00136 LINCS:LSM-3512 PMID:10628896 PMID:11304647 PMID:25007358 PMID:6725621 PMID:7602118 Patent:BE577977 Patent:GB895309 Patent:US3438991 Reaxys:331267 Wikipedia:Haloperidol 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one chebi_ontology 1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone 4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone 4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one Haldol gamma-(4-(p-chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone haloperidol haloperidolum CHEBI:5613 haloperidol Beilstein:331267 Beilstein CAS:52-86-8 ChemIDplus CAS:52-86-8 KEGG COMPOUND CAS:52-86-8 NIST Chemistry WebBook Drug_Central:1353 DrugCentral PMID:10628896 Europe PMC PMID:11304647 Europe PMC PMID:25007358 Europe PMC PMID:6725621 Europe PMC PMID:7602118 Europe PMC Reaxys:331267 Reaxys 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one IUPAC 1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine ChemIDplus 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone NIST_Chemistry_WebBook 4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone NIST_Chemistry_WebBook 4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone NIST_Chemistry_WebBook 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one IUPHAR Haldol KEGG_DRUG gamma-(4-(p-chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone NIST_Chemistry_WebBook haloperidol KEGG_DRUG haloperidolum ChemIDplus A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position. 0 C2HBrClF3 InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H BCQZXOMGPXTTIC-UHFFFAOYSA-N 197.38125 195.89022 [H]C(Cl)(Br)C(F)(F)F Beilstein:1736947 CAS:151-67-7 DrugBank:DB01159 Drug_Central:1356 Gmelin:793752 KEGG:C07515 KEGG:D00542 PMID:7519986 VSDB:1806 Wikipedia:Halothane 2-bromo-2-chloro-1,1,1-trifluoroethane Halothane chebi_ontology 1,1,1-trifluoro-2-bromo-2-chloroethane 1,1,1-trifluoro-2-chloro-2-bromoethane 1-bromo-1-chloro-2,2,2-trifluoroethane 2,2,2-trifluoro-1-chloro-1-bromoethane 2-bromo-2-chloro-1,1,1-trifluoroethane Fluothane Narcotane Phthorothanum Rhodialothan bromochlorotrifluoroethane CHEBI:5615 halothane Beilstein:1736947 Beilstein CAS:151-67-7 ChemIDplus CAS:151-67-7 KEGG COMPOUND CAS:151-67-7 NIST Chemistry WebBook Drug_Central:1356 DrugCentral Gmelin:793752 Gmelin PMID:7519986 Europe PMC 2-bromo-2-chloro-1,1,1-trifluoroethane IUPAC Halothane KEGG_COMPOUND 1,1,1-trifluoro-2-bromo-2-chloroethane NIST_Chemistry_WebBook 1,1,1-trifluoro-2-chloro-2-bromoethane NIST_Chemistry_WebBook 1-bromo-1-chloro-2,2,2-trifluoroethane NIST_Chemistry_WebBook 2,2,2-trifluoro-1-chloro-1-bromoethane NIST_Chemistry_WebBook 2-bromo-2-chloro-1,1,1-trifluoroethane NIST_Chemistry_WebBook Fluothane NIST_Chemistry_WebBook Narcotane ChemIDplus Phthorothanum ChemIDplus Rhodialothan NIST_Chemistry_WebBook bromochlorotrifluoroethane NIST_Chemistry_WebBook Any metal that is characterized by its rather high atomic mass and density. Although typically occurring in low concentrations, they can be found all throughout the Earth's crust (Commonly, a density of at least 5 g cm(3) is used to define a heavy metal and to differentiate it from other, ''light'' metals). Wikipedia:Heavy_metals chebi_ontology heavy metals CHEBI:5631 heavy metal heavy metals ChEBI A compound having the general formula RR'C(OH)OR'' (R'' =/= H). 0 CH2O2R2 46.025 46.00548 Hemiacetal hemiacetals chebi_ontology hemiacetals CHEBI:5653 hemiacetal Hemiacetal KEGG_COMPOUND hemiacetals IUPAC hemiacetals ChEBI A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. 0 C3H4O2 InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2 WSMYVTOQOOLQHP-UHFFFAOYSA-N 72.06270 72.02113 O=CCC=O CHEBI:43895 Beilstein:1209262 CAS:542-78-9 DrugBank:DB03057 Gmelin:362229 KEGG:C19440 PDBeChem:MDD PMID:15583011 PMID:17548130 PMID:23900424 PMID:24168430 PMID:28600633 PMID:28600933 PMID:28783520 PMID:29348025 Reaxys:1209262 malonaldehyde propanedial chebi_ontology 1,3-Propanedial 1,3-Propanedialdehyde 1,3-Propanedione MDA MDD Malondialdehyde Malonic aldehyde Malonic dialdehyde Malonodialdehyde Malonyldialdehyde CHEBI:566274 malonaldehyde Beilstein:1209262 Beilstein CAS:542-78-9 ChemIDplus CAS:542-78-9 KEGG COMPOUND CAS:542-78-9 NIST Chemistry WebBook Gmelin:362229 Gmelin PMID:15583011 Europe PMC PMID:17548130 ChEMBL PMID:23900424 Europe PMC PMID:24168430 Europe PMC PMID:28600633 Europe PMC PMID:28600933 Europe PMC PMID:28783520 Europe PMC PMID:29348025 Europe PMC Reaxys:1209262 Reaxys malonaldehyde UniProt propanedial IUPAC 1,3-Propanedial ChemIDplus 1,3-Propanedialdehyde ChemIDplus 1,3-Propanedione ChemIDplus MDA ChEBI MDD ChEBI Malondialdehyde ChemIDplus Malondialdehyde KEGG_COMPOUND Malonic aldehyde ChemIDplus Malonic dialdehyde ChemIDplus Malonodialdehyde ChemIDplus Malonyldialdehyde ChemIDplus An ammonium ion resulting from the protonation of the nitrogen of ethylamine. The conjugate acid of ethylamine; major species at pH 7.3. +1 C2H8N InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/p+1 QUSNBJAOOMFDIB-UHFFFAOYSA-O 46.09160 46.06513 CC[NH3+] Beilstein:10787932 Gmelin:322901 MetaCyc:ETHANAMINE ethanaminium chebi_ontology ethylamine ethylaminium cation ethylaminium(1+) ethylammonium CHEBI:566789 ethylaminium Beilstein:10787932 Beilstein Gmelin:322901 Gmelin ethanaminium IUPAC ethylamine UniProt ethylaminium cation ChEBI ethylaminium(1+) ChEBI ethylammonium ChEBI A dialkyl ketone with methyl and pentyl as the alkyl groups. 0 C7H14O InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 CATSNJVOTSVZJV-UHFFFAOYSA-N 114.18546 114.10447 CCCCCC(C)=O Beilstein:1699063 CAS:110-43-0 Gmelin:305860 KEGG:C08380 KNApSAcK:C00001254 LIPID_MAPS_instance:LMFA12000004 PMID:12769891 PMID:14759148 PMID:16025460 PMID:20416794 PMID:2270874 Reaxys:1699063 Wikipedia:2-Heptanone Heptan-2-one heptan-2-one chebi_ontology 2-Heptanone Methyl n-amyl ketone butylacetone methyl pentyl ketone n-amyl methyl ketone n-pentyl methyl ketone CHEBI:5672 heptan-2-one Beilstein:1699063 ChemIDplus CAS:110-43-0 ChemIDplus CAS:110-43-0 KEGG COMPOUND CAS:110-43-0 NIST Chemistry WebBook Gmelin:305860 Gmelin LIPID_MAPS_instance:LMFA12000004 LIPID MAPS PMID:12769891 Europe PMC PMID:14759148 Europe PMC PMID:16025460 Europe PMC PMID:20416794 Europe PMC PMID:2270874 Europe PMC Reaxys:1699063 Reaxys Heptan-2-one KEGG_COMPOUND heptan-2-one IUPAC heptan-2-one UniProt 2-Heptanone KEGG_COMPOUND Methyl n-amyl ketone KEGG_COMPOUND butylacetone NIST_Chemistry_WebBook methyl pentyl ketone ChemIDplus n-amyl methyl ketone NIST_Chemistry_WebBook n-pentyl methyl ketone NIST_Chemistry_WebBook A cyclic compound having as ring members atoms of at least two different elements. Heterocyclic compound chebi_ontology compuesto heterociclico compuestos heterociclicos heterocycle heterocyclic compounds CHEBI:5686 heterocyclic compound Heterocyclic compound KEGG_COMPOUND compuesto heterociclico IUPAC compuestos heterociclicos IUPAC heterocycle ChEBI heterocyclic compounds ChEBI 0 C4Cl6 InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10 RWNKSTSCBHKHTB-UHFFFAOYSA-N 260.761 257.81312 ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl CAS:87-68-3 KEGG:C11091 Hexachloro-1,3-butadiene chebi_ontology HCBD Hexachlorobutadiene CHEBI:5691 Hexachloro-1,3-butadiene CAS:87-68-3 KEGG COMPOUND Hexachloro-1,3-butadiene KEGG_COMPOUND HCBD KEGG_COMPOUND Hexachlorobutadiene KEGG_COMPOUND A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants. 0 C6Cl6 InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9 CKAPSXZOOQJIBF-UHFFFAOYSA-N 284.78040 281.81312 Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl Beilstein:1912585 CAS:118-74-1 Gmelin:27278 HMDB:HMDB0032566 KEGG:C11042 PMID:10641019 PMID:12117784 PMID:17150971 PMID:23336922 PMID:23462309 PMID:23627767 PMID:23747559 PMID:23923419 PMID:23973543 PMID:24148401 PMID:24311623 PMID:24365113 PPDB:380 Reaxys:1912585 Wikipedia:Hexachlorobenzene Hexachlorobenzene hexachlorobenzene chebi_ontology 1,2,3,4,5,6-hexachlorobenzene HCB Hexachlorbenzol perchlorobenzene phenyl perchloryl CHEBI:5692 hexachlorobenzene Beilstein:1912585 Beilstein CAS:118-74-1 ChemIDplus CAS:118-74-1 KEGG COMPOUND CAS:118-74-1 NIST Chemistry WebBook Gmelin:27278 Gmelin PMID:10641019 Europe PMC PMID:12117784 Europe PMC PMID:17150971 Europe PMC PMID:23336922 Europe PMC PMID:23462309 Europe PMC PMID:23627767 Europe PMC PMID:23747559 Europe PMC PMID:23923419 Europe PMC PMID:23973543 Europe PMC PMID:24148401 Europe PMC PMID:24311623 Europe PMC PMID:24365113 Europe PMC Reaxys:1912585 Reaxys Hexachlorobenzene KEGG_COMPOUND hexachlorobenzene IUPAC 1,2,3,4,5,6-hexachlorobenzene NIST_Chemistry_WebBook HCB ChemIDplus HCB KEGG_COMPOUND Hexachlorbenzol ChemIDplus perchlorobenzene ChemIDplus phenyl perchloryl NIST_Chemistry_WebBook An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. 0 C13H6Cl6O2 InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2 ACGUYXCXAPNIKK-UHFFFAOYSA-N 406.90400 403.84990 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl CAS:70-30-4 DrugBank:DB00756 Drug_Central:1364 HMDB:HMDB0014894 KEGG:C08039 KEGG:D00859 LINCS:LSM-6032 PDBeChem:H3P PMID:1133685 PMID:22313968 PMID:23251633 PMID:397166 PMID:894425 PMID:952574 PPDB:381 Patent:US2250480 Patent:US2435593 Patent:US2812365 Reaxys:2064407 Wikipedia:Hexachlorophene 2,2'-methylenebis(3,4,6-trichlorophenol) chebi_ontology 2,2',3,3',5,5'-hexachloro-6,6'-dihydroxydiphenylmethane 2,2'-dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane 2,2'-dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane 2,2'-methanediylbis(3,4,6-trichlorophenol) Acigena Almederm Armohex Distodin Esaclorofene Exofene Gamophen Gamophene Germa-medica Hexa-Germ Hexabalm Hexafen Hexascrub Hexide Nabac Phiso-Scrub Phisodan Septi-Soft Septisol Septofen Solu-Heks Soy-Dome Staphene O Ster-Zac Steral Steraskin Surgi-Cen Surgi-cin Surofene Tersaseptic Turgex bis(2-hydroxy-3,5,6-trichlorophenyl)methane bis(3,5,6-trichloro-2-hydroxyphenyl)methane hexachlorophene hexachlorophenum hexaclorofeno CHEBI:5693 hexachlorophene CAS:70-30-4 ChemIDplus CAS:70-30-4 KEGG COMPOUND CAS:70-30-4 NIST Chemistry WebBook Drug_Central:1364 DrugCentral PMID:1133685 Europe PMC PMID:22313968 Europe PMC PMID:23251633 Europe PMC PMID:397166 Europe PMC PMID:894425 Europe PMC PMID:952574 Europe PMC Reaxys:2064407 Reaxys 2,2'-methylenebis(3,4,6-trichlorophenol) IUPAC 2,2',3,3',5,5'-hexachloro-6,6'-dihydroxydiphenylmethane NIST_Chemistry_WebBook 2,2'-dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane NIST_Chemistry_WebBook 2,2'-dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane NIST_Chemistry_WebBook 2,2'-methanediylbis(3,4,6-trichlorophenol) PDBeChem Acigena ChemIDplus Almederm ChemIDplus Armohex ChemIDplus Distodin ChemIDplus Esaclorofene ChemIDplus Exofene ChemIDplus Gamophen ChemIDplus Gamophene ChemIDplus Germa-medica ChemIDplus Hexa-Germ ChemIDplus Hexabalm ChemIDplus Hexafen ChemIDplus Hexascrub ChemIDplus Hexide ChemIDplus Nabac ChemIDplus Phiso-Scrub ChemIDplus Phisodan ChemIDplus Septi-Soft ChemIDplus Septisol ChemIDplus Septofen ChemIDplus Solu-Heks ChemIDplus Soy-Dome ChemIDplus Staphene O ChemIDplus Ster-Zac ChemIDplus Steral ChemIDplus Steraskin ChemIDplus Surgi-Cen ChemIDplus Surgi-cin ChemIDplus Surofene ChemIDplus Tersaseptic ChemIDplus Turgex ChemIDplus bis(2-hydroxy-3,5,6-trichlorophenyl)methane NIST_Chemistry_WebBook bis(3,5,6-trichloro-2-hydroxyphenyl)methane NIST_Chemistry_WebBook hexachlorophene WHO_MedNet hexachlorophenum WHO_MedNet hexaclorofeno WHO_MedNet A papulacandin that is papulacandin A in which the (2E,4E)-deca-2,4-dienoyl chain at the O-(6') position is replaced by a (2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl chain. It is the major carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans. 0 C47H64O17 InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7-,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28-,31?,33-,35+,36+,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1 UJLFRJFJTPPIOK-RZGJRGQUSA-N 901.00090 900.41435 CC[C@H](C)CC\C=C\C=C(/C)[C@@H](O)C\C=C\C=C\C(=O)O[C@@H]1[C@@H](O)[C@@]2(OCc3cc(O)cc(O)c23)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COC(=O)\C=C\C=C/C=C/C(O)CC)[C@H](O)[C@H](O)[C@H]1O Beilstein:7682569 CAS:61032-80-2 PMID:20711516 PMID:3735029 PMID:380990 PMID:6396177 PMID:7440418 PMID:852996 Reaxys:7682569 Wikipedia:Papulacandin_B (1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-({6-O-[(2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl]-beta-D-galactopyranosyl}oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate chebi_ontology papulacandin-B CHEBI:569624 papulacandin B Beilstein:7682569 Beilstein CAS:61032-80-2 ChemIDplus PMID:20711516 Europe PMC PMID:3735029 Europe PMC PMID:380990 Europe PMC PMID:6396177 Europe PMC PMID:7440418 Europe PMC PMID:852996 Europe PMC Reaxys:7682569 Reaxys (1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-({6-O-[(2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl]-beta-D-galactopyranosyl}oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate IUPAC papulacandin-B ChEBI 0 C12H20N4O2 InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 CAWXEEYDBZRFPE-UHFFFAOYSA-N 252.313 252.15863 CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C CAS:51235-04-2 KEGG:C10926 PPDB:384 Hexazinone chebi_ontology CHEBI:5705 Hexazinone CAS:51235-04-2 KEGG COMPOUND Hexazinone KEGG_COMPOUND Any one of a family of large lipopeptides that are inhibitors of the enzyme 1,3-beta-glucan synthase, thus damaging fungal cell walls. Echinocandins are fungicidal against most Candida spp and fungistatic against Aspergillus spp. chebi_ontology echinocandins CHEBI:57248 echinocandin echinocandins ChEBI Conjugate acid of (-)-ephedrine. +1 C10H16NO InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-O 166.24010 166.12319 C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Beilstein:4921787 Gmelin:2740959 (1R,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium chebi_ontology (1R,2S)-ephedrine CHEBI:57295 (-)-ephedrinium Beilstein:4921787 Beilstein Gmelin:2740959 Gmelin (1R,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium IUPAC (1R,2S)-ephedrine UniProt A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. -3 C10H13N5O13P3 InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-K 504.15720 503.97392 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O Beilstein:9535056 chebi_ontology CHEBI:57299 ATP(3-) Beilstein:9535056 Beilstein An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine. 0 C2H5NO2 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) DHMQDGOQFOQNFH-UHFFFAOYSA-N 75.06660 75.03203 [NH3+]CC([O-])=O Gmelin:1807 MetaCyc:GLY 2-azaniumylacetate chebi_ontology glycine CHEBI:57305 glycine zwitterion Gmelin:1807 Gmelin 2-azaniumylacetate IUPAC glycine UniProt Zwitterionic form of D-alanine. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 QNAYBMKLOCPYGJ-UWTATZPHSA-N 89.09320 89.04768 C[C@@H]([NH3+])C([O-])=O (2R)-2-azaniumylpropanoate D-alanine zwitterion chebi_ontology D-alanine CHEBI:57416 D-alanine zwitterion (2R)-2-azaniumylpropanoate IUPAC D-alanine zwitterion IUPAC D-alanine UniProt Zwitterionic form of L-homoserine. 0 C4H9NO3 InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 UKAUYVFTDYCKQA-VKHMYHEASA-N 119.11920 119.05824 [NH3+][C@@H](CCO)C([O-])=O MetaCyc:HOMO-SER (2S)-2-azaniumyl-4-hydroxybutanoate chebi_ontology (2S)-2-ammonio-4-hydroxybutanoate L-homoserine CHEBI:57476 L-homoserine zwitterion (2S)-2-azaniumyl-4-hydroxybutanoate IUPAC (2S)-2-ammonio-4-hydroxybutanoate ChEBI L-homoserine UniProt Conjugate acid of staurosporine. +1 C28H27N4O3 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/p+1/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-O 467.53900 467.20777 C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 MetaCyc:STAUROSPORINE (5S,6R,7R,9R)-6-methoxy-N,5-dimethyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-aminium chebi_ontology (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylazaniumyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one staurosporine staurosporinium cation CHEBI:57491 staurosporinium (5S,6R,7R,9R)-6-methoxy-N,5-dimethyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-aminium IUPAC (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylazaniumyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one ChEBI staurosporine UniProt staurosporinium cation ChEBI Conjugate acid of isopropylamine. +1 C3H10N InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3/p+1 JJWLVOIRVHMVIS-UHFFFAOYSA-O 60.11820 60.08078 CC(C)[NH3+] Gmelin:323087 propan-2-aminium chebi_ontology isopropylamine CHEBI:57492 isopropylaminium Gmelin:323087 Gmelin propan-2-aminium IUPAC isopropylamine UniProt An amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of L-dopa. Major microspecies at pH 7.3. 0 C9H11NO4 InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-N 197.18790 197.06881 [NH3+][C@@H](Cc1ccc(O)c(O)c1)C([O-])=O Gmelin:487331 (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate chebi_ontology (2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate L-dopa CHEBI:57504 L-dopa zwitterion Gmelin:487331 Gmelin (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate IUPAC (2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate ChEBI L-dopa UniProt A fatty acid anion with a chain length of C13 to C22. -1 CO2R 44.010 43.98983 [O-]C([*])=O CHEBI:13652 chebi_ontology a long-chain carboxylate a long-chain fatty acid long-chain fatty acid anions CHEBI:57560 long-chain fatty acid anion a long-chain carboxylate ChEBI a long-chain fatty acid UniProt long-chain fatty acid anions ChEBI Conjugate base of biotin arising from deprotonation of the carboxy group. -1 C10H15N2O3S InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-M 243.30300 243.08034 [H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2 Beilstein:10186323 MetaCyc:BIOTIN 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate chebi_ontology biotin biotin anion CHEBI:57586 biotinate Beilstein:10186323 Beilstein 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate IUPAC biotin UniProt biotin anion ChEBI An organic sulfamate oxoanion that is the conjugate base of cyclohexylsulfamic acid. -1 C6H12NO3S InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1 HCAJEUSONLESMK-UHFFFAOYSA-M 178.22900 178.05434 [O-]S(=O)(=O)NC1CCCCC1 Beilstein:4135617 Reaxys:4135617 cyclohexylsulfamate chebi_ontology CHEBI:57592 cyclohexylsulfamate Beilstein:4135617 Beilstein Reaxys:4135617 Reaxys cyclohexylsulfamate IUPAC cyclohexylsulfamate UniProt A primary aliphatic ammonium ion that is the conjugate acid of ethanolamine arising from protonation of the primary amino function. +1 C2H8NO InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/p+1 HZAXFHJVJLSVMW-UHFFFAOYSA-O 62.09100 62.06004 [NH3+]CCO 2-hydroxyethanaminium chebi_ontology 2-hydroxyethan-1-aminium ethanolamine ethanolaminium cation CHEBI:57603 ethanolaminium(1+) 2-hydroxyethanaminium IUPAC 2-hydroxyethan-1-aminium ChEBI ethanolamine UniProt ethanolaminium cation ChEBI The conjugate base of 2-nitrophenol; major apecies at pH 7.3. -1 C6H4NO3 InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H/p-1 IQUPABOKLQSFBK-UHFFFAOYSA-M 138.10090 138.01967 [O-]c1ccccc1[N+]([O-])=O Beilstein:3542179 Gmelin:327584 2-nitrophenolate chebi_ontology 2-nitrophenol CHEBI:57703 2-nitrophenolate Beilstein:3542179 Beilstein Gmelin:327584 Gmelin 2-nitrophenolate IUPAC 2-nitrophenol UniProt A D-alpha-amino acid zwitterion that is D-proline in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N 115.13050 115.06333 [O-]C(=O)[C@H]1CCC[NH2+]1 MetaCyc:D-PROLINE (2R)-pyrrolidinium-2-carboxylate chebi_ontology D-proline CHEBI:57726 D-proline zwitterion (2R)-pyrrolidinium-2-carboxylate IUPAC D-proline UniProt The conjugate base of guanosine 3',5'-cyclic phosphate arising from deprotonation of the free phosphate OH group; major species at pH 7.3. -1 C10H11N5O7P InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/p-1/t3-,5-,6-,9-/m1/s1 ZOOGRGPOEVQQDX-UUOKFMHZSA-M 344.19740 344.04016 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O Beilstein:4030890 Beilstein:7235136 Gmelin:1336501 guanosine 3',5'-phosphate chebi_ontology 3',5'-cyclic GMP 3',5'-cyclic GMP anion CHEBI:57746 3',5'-cyclic GMP(1-) Beilstein:4030890 Beilstein Beilstein:7235136 Beilstein Gmelin:1336501 Gmelin guanosine 3',5'-phosphate IUPAC 3',5'-cyclic GMP UniProt 3',5'-cyclic GMP anion ChEBI An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-valine; major species at pH 7.3. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N 117.14630 117.07898 CC(C)[C@H]([NH3+])C([O-])=O Gmelin:2826 (2S)-2-azaniumyl-3-methylbutanoate chebi_ontology (2S)-2-ammonio-3-methylbutanoate L-valine CHEBI:57762 L-valine zwitterion Gmelin:2826 Gmelin (2S)-2-azaniumyl-3-methylbutanoate IUPAC (2S)-2-ammonio-3-methylbutanoate ChEBI L-valine UniProt A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure. 0 C7H8ClN3O4S2 InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) JZUFKLXOESDKRF-UHFFFAOYSA-N 297.73900 296.96448 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl CAS:58-93-5 DrugBank:DB00999 Drug_Central:1385 HMDB:HMDB0001928 KEGG:C07041 KEGG:D00340 LINCS:LSM-5308 PDBeChem:HCZ PMID:24055851 PMID:24657333 PMID:24849193 Reaxys:625101 Wikipedia:Hydrochlorothiazide 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide chebi_ontology Esidrix (TN) hidroclorotiazida hydrochlorothiazide hydrochlorothiazidum CHEBI:5778 hydrochlorothiazide CAS:58-93-5 ChemIDplus CAS:58-93-5 KEGG COMPOUND CAS:58-93-5 NIST Chemistry WebBook Drug_Central:1385 DrugCentral PMID:24055851 Europe PMC PMID:24657333 Europe PMC PMID:24849193 Europe PMC Reaxys:625101 Reaxys 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide IUPAC Esidrix (TN) KEGG_COMPOUND hidroclorotiazida ChemIDplus hydrochlorothiazide ChemIDplus hydrochlorothiazidum ChemIDplus The conjugate base of a nucleoside 5'-phosphate. -2 C5H7O6PR2 194.07920 193.99802 O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP([O-])([O-])=O chebi_ontology a nucleoside 5'-phosphate nucleoside 5'-phosphate dianions CHEBI:57867 nucleoside 5'-phosphate dianion a nucleoside 5'-phosphate UniProt nucleoside 5'-phosphate dianions ChEBI The conjugate acid of codeine arising from protonation of the tertiary amino group; major species at pH 7.3. +1 C18H22NO3 InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-O 300.37220 300.15942 [H][C@]12C=C[C@H](O)[C@@H]3Oc4c(OC)ccc5C[C@H]1[NH+](C)CC[C@@]23c45 Gmelin:351392 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-6alpha-ol chebi_ontology (5alpha,6alpha,17S)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-ol codeine codeine cation CHEBI:57871 codeine(1+) Gmelin:351392 Gmelin 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-6alpha-ol IUPAC (5alpha,6alpha,17S)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-ol ChEBI codeine UniProt codeine cation ChEBI An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3. +1 C10H13N2 InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1 APJYDQYYACXCRM-UHFFFAOYSA-O 161.22310 161.10732 [NH3+]CCc1c[nH]c2ccccc12 Gmelin:533978 2-(1H-indol-3-yl)ethanaminium chebi_ontology tryptamine tryptaminium cation tryptaminium(1+) CHEBI:57887 tryptaminium Gmelin:533978 Gmelin 2-(1H-indol-3-yl)ethanaminium IUPAC tryptamine UniProt tryptaminium cation ChEBI tryptaminium(1+) ChEBI A phenolate anion that is the conjugate base of 4-nitrophenol; major species at pH 7.3. -1 C6H4NO3 InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1 BTJIUGUIPKRLHP-UHFFFAOYSA-M 138.10140 138.01967 [O-]c1ccc(cc1)[N+]([O-])=O Beilstein:3589511 Gmelin:3310 4-nitrophenolate chebi_ontology 4-nitrobenzen-1-olate 4-nitrophenol 4-nitrophenolate anion 4-nitrophenolate(1-) p-nitrophenolate p-nitrophenolate anion p-nitrophenolate ion p-nitrophenolate(1-) CHEBI:57917 4-nitrophenolate Beilstein:3589511 Beilstein Gmelin:3310 Gmelin 4-nitrophenolate IUPAC 4-nitrobenzen-1-olate ChEBI 4-nitrophenol UniProt 4-nitrophenolate anion ChEBI 4-nitrophenolate(1-) ChEBI p-nitrophenolate ChEBI p-nitrophenolate anion ChEBI p-nitrophenolate ion ChEBI p-nitrophenolate(1-) ChEBI A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of glutathione; major species at pH 7.3. -1 C10H16N3O6S InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-M 306.310 306.07653 [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-] PMID:4200890 PMID:4745654 chebi_ontology glutathionate glutathionate anion glutathionate ion glutathione CHEBI:57925 glutathionate(1-) PMID:4200890 Europe PMC PMID:4745654 Europe PMC glutathionate ChEBI glutathionate anion ChEBI glutathionate ion ChEBI glutathione UniProt Zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. 0 C3H7NO2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N 89.09320 89.04768 [NH3+]CCC([O-])=O Gmelin:454332 3-azaniumylpropanoate chebi_ontology 3-ammoniopropanoate beta-alanine CHEBI:57966 beta-alanine zwitterion Gmelin:454332 Gmelin 3-azaniumylpropanoate IUPAC 3-ammoniopropanoate IUPAC beta-alanine UniProt Dianion of a 1-acyl-sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3. -2 C4H6O7PR 197.060 196.98511 O[C@H](COC([*])=O)COP([O-])([O-])=O CHEBI:74916 (2R)-3-alkanoyloxy-2-hydroxypropyl phosphate chebi_ontology 1-acyl-sn-glycerol 3-phosphate dianion 1-acyl-sn-glycerol 3-phosphate dianions a 1-acyl-sn-glycero-3-phosphate lysophosphatidate(2-) CHEBI:57970 1-acyl-sn-glycerol 3-phosphate(2-) (2R)-3-alkanoyloxy-2-hydroxypropyl phosphate IUPAC 1-acyl-sn-glycerol 3-phosphate dianion ChEBI 1-acyl-sn-glycerol 3-phosphate dianions ChEBI a 1-acyl-sn-glycero-3-phosphate UniProt lysophosphatidate(2-) SUBMITTER Zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 QNAYBMKLOCPYGJ-REOHCLBHSA-N 89.09320 89.04768 C[C@H]([NH3+])C([O-])=O Gmelin:362662 (2S)-2-azaniumylpropanoate chebi_ontology (2S)-2-ammoniopropanoate L-alanine CHEBI:57972 L-alanine zwitterion Gmelin:362662 Gmelin (2S)-2-azaniumylpropanoate IUPAC (2S)-2-ammoniopropanoate IUPAC L-alanine UniProt A D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 COLNVLDHVKWLRT-MRVPVSSYSA-N 165.18910 165.07898 [NH3+][C@H](Cc1ccccc1)C([O-])=O MetaCyc:CPD-216 (2R)-2-azaniumyl-3-phenylpropanoate chebi_ontology (2R)-2-ammonio-3-phenylpropanoate D-phenylalanine CHEBI:57981 D-phenylalanine zwitterion (2R)-2-azaniumyl-3-phenylpropanoate IUPAC (2R)-2-ammonio-3-phenylpropanoate IUPAC D-phenylalanine UniProt An organic anion that is the conjugate base of riboflavin resulting from the removal of a proton from the nitrogen at position 3 (between the two carbonyl groups). Major microspecies at pH 7.3. -1 C17H19N4O6 InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-M 375.35600 375.13101 Cc1cc2nc3c(nc(=O)[n-]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C Beilstein:4924198 Chemspider:26330994 MetaCyc:RIBOFLAVIN 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-D-ribitol chebi_ontology 7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide riboflavin riboflavin anion vitamin B2(1-) CHEBI:57986 riboflavin(1-) Beilstein:4924198 Beilstein 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-D-ribitol IUPAC 7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide ChEBI riboflavin UniProt riboflavin anion ChEBI vitamin B2(1-) ChEBI Zwitterionic form of D-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. 0 C5H10N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 146.14450 146.06914 NC(=O)CC[C@@H]([NH3+])C([O-])=O (2R)-5-amino-2-azaniumyl-5-oxopentanoate chebi_ontology (2R)-5-amino-2-ammonio-5-oxopentanoate D-glutamine CHEBI:58000 D-glutamine zwitterion (2R)-5-amino-2-azaniumyl-5-oxopentanoate IUPAC (2R)-5-amino-2-ammonio-5-oxopentanoate ChEBI D-glutamine UniProt The conjugate acid of a primary aliphatic amine. +1 CH5NR 31.05710 31.04220 [NH3+]C[*] chebi_ontology an aliphatic amine primary aliphatic ammonium cation primary aliphatic ammonium cations primary aliphatic ammonium ions CHEBI:58001 primary aliphatic ammonium ion an aliphatic amine UniProt primary aliphatic ammonium cation ChEBI primary aliphatic ammonium cations ChEBI primary aliphatic ammonium ions ChEBI Trication of streptomycin arising from protonation of the guanidino and secondary amino groups. +3 C21H42N7O12 InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 UCSJYZPVAKXKNQ-HZYVHMACSA-Q 584.59790 584.28750 C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+] (1R,2R,3S,4R,5R,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranoside chebi_ontology streptomycin streptomycin trication CHEBI:58007 streptomycin(3+) (1R,2R,3S,4R,5R,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranoside IUPAC streptomycin UniProt streptomycin trication ChEBI An organic cation that is the conjugate acid of dimethylamine; major species at pH 7.3. +1 C2H8N InChI=1S/C2H7N/c1-3-2/h3H,1-2H3/p+1 ROSDSFDQCJNGOL-UHFFFAOYSA-O 46.09160 46.06513 C[NH2+]C MetaCyc:DIMETHYLAMINE N-methylmethanaminium chebi_ontology dimethylamine dimethylaminium cation dimethylazanium CHEBI:58040 dimethylaminium N-methylmethanaminium IUPAC dimethylamine UniProt dimethylaminium cation ChEBI dimethylazanium ChEBI The dianion of a nucleoside monophosphate: major species at pH 7.3. -2 C5H8O7PR 211.08660 211.00076 O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1[*] CHEBI:85513 chebi_ontology 5'-ribonucleotide(2-) a ribonucleoside 5'-phosphate nucleoside monophosphate anion nucleoside monophosphate anions nucleoside monophosphate dianion nucleoside monophosphate dianions CHEBI:58043 nucleoside 5'-monophosphate(2-) 5'-ribonucleotide(2-) ChEBI a ribonucleoside 5'-phosphate UniProt nucleoside monophosphate anion ChEBI nucleoside monophosphate anions ChEBI nucleoside monophosphate dianion ChEBI nucleoside monophosphate dianions ChEBI The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3. -1 C7H2Br2NO InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1 UPMXNNIRAGDFEH-UHFFFAOYSA-M 275.90500 273.85086 [O-]c1c(Br)cc(cc1Br)C#N 2,6-dibromo-4-cyanophenolate chebi_ontology 2,6-dibromo-4-cyanobenzen-1-olate 2,6-dibromo-4-cyanophenolate anion 3,5-dibromo-4-hydroxybenzonitrile 3,5-dibromo-4-oxidobenzonitrile 3,5-dibromo-4-oxidobenzonitrile anion CHEBI:58046 3,5-dibromo-4-oxidobenzonitrile(1-) 2,6-dibromo-4-cyanophenolate IUPAC 2,6-dibromo-4-cyanobenzen-1-olate ChEBI 2,6-dibromo-4-cyanophenolate anion ChEBI 3,5-dibromo-4-hydroxybenzonitrile UniProt 3,5-dibromo-4-oxidobenzonitrile ChEBI 3,5-dibromo-4-oxidobenzonitrile anion ChEBI The R- (less active) enantiomer of ketamine. 0 C13H16ClNO InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1 YQEZLKZALYSWHR-CYBMUJFWSA-N 237.72500 237.09204 CN[C@]1(CCCCC1=O)c1ccccc1Cl Patent:DE2062620 Patent:GB1330878 Reaxys:6892977 (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone chebi_ontology (+)-ketamine (2R)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone (R)-(+)-ketamine CHEBI:580604 (R)-ketamine Reaxys:6892977 Reaxys (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone IUPAC (+)-ketamine ChEBI (2R)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone ChemIDplus (R)-(+)-ketamine ChEBI Conjugate acid of carbon monoxide arising from protonation of the carbon; major species at pH 7.3. +1 CHO InChI=1S/CHO/c1-2/h1H/q+1 XPRMKTHGXOVKEH-UHFFFAOYSA-N 29.01800 29.00219 C#[O+] methylidyneoxonium chebi_ontology CO(1+) methylidyneoxidanium CHEBI:58072 carbon monoxide(1+) methylidyneoxonium IUPAC CO(1+) ChEBI methylidyneoxidanium ChEBI An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-phenylalanine; major species at pH 7.3. 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 COLNVLDHVKWLRT-QMMMGPOBSA-N 165.18910 165.07898 [NH3+][C@@H](Cc1ccccc1)C([O-])=O MetaCyc:PHE PMID:21956539 (2S)-2-azaniumyl-3-phenylpropanoate chebi_ontology (2S)-2-ammonio-3-phenylpropanoate L-phenylalanine phenylalanine CHEBI:58095 L-phenylalanine zwitterion PMID:21956539 Europe PMC (2S)-2-azaniumyl-3-phenylpropanoate IUPAC (2S)-2-ammonio-3-phenylpropanoate IUPAC L-phenylalanine UniProt phenylalanine ChEBI The conjugate acid of morphine arising from protonation of the tertiary amino group; major species at pH 7.3. +1 C17H20NO3 InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-O 286.34560 286.14377 [H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1[NH+](C)CC[C@@]23c45 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-3,6alpha-diol chebi_ontology morphine morphine cation CHEBI:58097 morphine(1+) 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-3,6alpha-diol IUPAC morphine UniProt morphine cation ChEBI Trianion of nucleoside triphosphate arising from deprotonation of three of the four free triphosphate OH groups. -3 C5H9O13P3R 370.039 369.92560 [C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)([O-])O)(=O)[O-])(=O)[O-] chebi_ontology NTP trianion NTP(3-) nucleoside triphosphate trianion ribonucleoside triphosphate trianion ribonucleoside triphosphate(3-) CHEBI:58104 nucleoside 5'-triphoshate(3-) NTP trianion ChEBI NTP(3-) ChEBI nucleoside triphosphate trianion ChEBI ribonucleoside triphosphate trianion ChEBI ribonucleoside triphosphate(3-) ChEBI A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of GMP. -2 C10H12N5O8P InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 RQFCJASXJCIDSX-UUOKFMHZSA-L 361.20470 361.04345 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O PMID:19527031 Reaxys:3598735 5'-O-phosphonatoguanosine chebi_ontology GMP GMP dianion GMP(2-) guanosine 5'-phosphate guanosine 5'-phosphate dianion guanosine 5'-phosphate(2-) CHEBI:58115 guanosine 5'-monophosphate(2-) PMID:19527031 Europe PMC Reaxys:3598735 Reaxys 5'-O-phosphonatoguanosine IUPAC GMP ChEBI GMP UniProt GMP dianion ChEBI GMP(2-) ChEBI guanosine 5'-phosphate ChEBI guanosine 5'-phosphate dianion ChEBI guanosine 5'-phosphate(2-) ChEBI A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (S)-stereochemistry; major species at pH 7.3. -1 C2H2O3R 74.03550 74.00039 O[C@@H]([*])C([O-])=O CHEBI:61394 CHEBI:70794 PMID:10850983 chebi_ontology (2S)-2-hydroxy monocarboxylate (2S)-2-hydroxy monocarboxylates (2S)-2-hydroxy monocarboxylic acid anions (2S)-2-hydroxycarboxylate (2S)-alpha-hydroxy monocarboxylic acid anion (2S)-alpha-hydroxy monocarboxylic acid anions (S)-2-hydroxyacid anion (S)-2-hydroxyacid anions a (2S)-2-hydroxycarboxylate CHEBI:58123 (2S)-2-hydroxy monocarboxylic acid anion PMID:10850983 SUBMITTER (2S)-2-hydroxy monocarboxylate ChEBI (2S)-2-hydroxy monocarboxylates ChEBI (2S)-2-hydroxy monocarboxylic acid anions ChEBI (2S)-2-hydroxycarboxylate ChEBI (2S)-alpha-hydroxy monocarboxylic acid anion ChEBI (2S)-alpha-hydroxy monocarboxylic acid anions ChEBI (S)-2-hydroxyacid anion ChEBI (S)-2-hydroxyacid anions ChEBI a (2S)-2-hydroxycarboxylate UniProt An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. -1 C10H11N5O6P InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-M 328.19800 328.04524 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O PMID:7870041 PMID:7870042 Reaxys:3720459 adenosine 3',5'-phosphate chebi_ontology 3',5'-cyclic AMP 3',5'-cyclic AMP anion adenosine 3',5'-cyclic monophosphate adenosine 3',5'-cyclic monophosphate anion adenosine 3',5'-cyclic monophosphate(1-) CHEBI:58165 3',5'-cyclic AMP(1-) PMID:7870041 Europe PMC PMID:7870042 Europe PMC Reaxys:3720459 Reaxys adenosine 3',5'-phosphate IUPAC 3',5'-cyclic AMP UniProt 3',5'-cyclic AMP anion ChEBI adenosine 3',5'-cyclic monophosphate ChEBI adenosine 3',5'-cyclic monophosphate anion ChEBI adenosine 3',5'-cyclic monophosphate(1-) ChEBI A phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3. -1 C6Cl5O InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1 IZUPBVBPLAPZRR-UHFFFAOYSA-M 265.32900 262.83973 [O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl PMID:8680829 Reaxys:3613001 pentachlorophenolate chebi_ontology 2,3,4,5,6-pentachlorobenzen-1-olate pentachlorophenol pentachlorophenolate anion pentachlorophenolate(1-) pentachlorophenoxide CHEBI:58217 pentachlorophenolate PMID:8680829 Europe PMC Reaxys:3613001 Reaxys pentachlorophenolate ChEBI 2,3,4,5,6-pentachlorobenzen-1-olate ChEBI pentachlorophenol UniProt pentachlorophenolate anion ChEBI pentachlorophenolate(1-) ChEBI pentachlorophenoxide ChEBI A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (R)-stereochemistry; major species at pH 7.3. -1 C2H2O3R 74.036 74.00039 O[C@H]([*])C([O-])=O MetaCyc:2R-hydroxy-carboxylates chebi_ontology (2R)-2-hydroxy monocarboxylic acid anions (2R)-2-hydroxycarboxylate (2R)-alpha-hydroxy monocarboxylic acid anion (2R)-alpha-hydroxy monocarboxylic acid anions (R)-2-hydroxyacid anion (R)-2-hydroxyacid anions a (2R)-2-hydroxycarboxylate CHEBI:58314 (2R)-2-hydroxy monocarboxylic acid anion (2R)-2-hydroxy monocarboxylic acid anions ChEBI (2R)-2-hydroxycarboxylate ChEBI (2R)-alpha-hydroxy monocarboxylic acid anion ChEBI (2R)-alpha-hydroxy monocarboxylic acid anions ChEBI (R)-2-hydroxyacid anion ChEBI (R)-2-hydroxyacid anions ChEBI a (2R)-2-hydroxycarboxylate UniProt An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-tyrosine; major species at pH 7.3. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N 181.18850 181.07389 [NH3+][C@@H](Cc1ccc(O)cc1)C([O-])=O (2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate chebi_ontology (2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate L-tyrosine CHEBI:58315 L-tyrosine zwitterion (2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate IUPAC (2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate IUPAC L-tyrosine UniProt An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-glutamine; major species at pH 7.3. 0 C5H10N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 ZDXPYRJPNDTMRX-VKHMYHEASA-N 146.14450 146.06914 NC(=O)CC[C@H]([NH3+])C([O-])=O MetaCyc:GLN PMID:17190852 (2S)-5-amino-2-azaniumyl-5-oxopentanoate chebi_ontology (2S)-5-amino-2-ammonio-5-oxopentanoate L-glutamine CHEBI:58359 L-glutamine zwitterion PMID:17190852 Europe PMC (2S)-5-amino-2-azaniumyl-5-oxopentanoate IUPAC (2S)-5-amino-2-ammonio-5-oxopentanoate IUPAC L-glutamine UniProt An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 1-aminocyclopropanecarboxylic acid; major species at pH 7.3. 0 C4H7NO2 InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N 101.10390 101.04768 [NH3+]C1(CC1)C([O-])=O MetaCyc:CPD-68 1-azaniumylcyclopropanecarboxylate chebi_ontology 1-aminocyclopropane-1-carboxylate 1-ammoniocyclopropanecarboxylate CHEBI:58360 1-aminocyclopropanecarboxylic acid zwitterion 1-azaniumylcyclopropanecarboxylate IUPAC 1-aminocyclopropane-1-carboxylate UniProt 1-ammoniocyclopropanecarboxylate IUPAC An ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3. +1 C3H10N InChI=1S/C3H9N/c1-4(2)3/h1-3H3/p+1 GETQZCLCWQTVFV-UHFFFAOYSA-O 60.11820 60.08078 C[NH+](C)C MetaCyc:TRIMETHYLAMINE Reaxys:16709444 N,N-dimethylmethanaminium chebi_ontology trimethylamine trimethylammonium cation trimethylazanium trimethylazanium cation CHEBI:58389 trimethylammonium Reaxys:16709444 Reaxys N,N-dimethylmethanaminium IUPAC trimethylamine UniProt trimethylammonium cation ChEBI trimethylazanium ChEBI trimethylazanium cation ChEBI Dianion of alpha,alpha-trehalose 6-phosphate. -2 C12H21O14P InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 LABSPYBHMPDTEL-LIZSDCNHSA-L 420.26050 420.06799 OC[C@H]1O[C@H](O[C@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O Beilstein:3744918 alpha-D-glucopyranosyl 6-O-phosphonato-alpha-D-glucopyranoside chebi_ontology alpha,alpha-trehalose 6-phosphate CHEBI:58429 alpha,alpha-trehalose 6-phosphate(2-) Beilstein:3744918 Beilstein alpha-D-glucopyranosyl 6-O-phosphonato-alpha-D-glucopyranoside IUPAC alpha,alpha-trehalose 6-phosphate UniProt A 5-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of jasmonic acid. The major species at pH 7.3. -1 C12H17O3 InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m1/s1 ZNJFBWYDHIGLCU-HWKXXFMVSA-M 209.26210 209.11832 CC\C=C/C[C@@H]1[C@@H](CC([O-])=O)CCC1=O {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate chebi_ontology jasmonate CHEBI:58431 jasmonate(1-) {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate IUPAC jasmonate UniProt An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen. +1 C5H10N3 InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1 NTYJJOPFIAHURM-UHFFFAOYSA-O 112.15300 112.08692 [NH3+]CCc1c[nH]cn1 2-(1H-imidazol-4-yl)ethanaminium chebi_ontology histamine histaminium cation CHEBI:58432 histaminium 2-(1H-imidazol-4-yl)ethanaminium IUPAC histamine UniProt histaminium cation ChEBI Zwitterionic form of L-thyroxine. 0 C15H11I4NO4 InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 XUIIKFGFIJCVMT-LBPRGKRZSA-N 776.87000 776.68669 [NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O (2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate chebi_ontology L-thyroxine CHEBI:58448 L-thyroxine zwitterion (2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate IUPAC L-thyroxine UniProt The conjugate base of a nucleoside 3',5'-cyclic phosphate. -1 C5H6O5PR2 177.07190 176.99528 [O-]P1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1 chebi_ontology a nucleoside 3',5'-cyclic phosphate nucleoside 3',5'-cyclic phosphate anions CHEBI:58464 nucleoside 3',5'-cyclic phosphate anion a nucleoside 3',5'-cyclic phosphate UniProt nucleoside 3',5'-cyclic phosphate anions ChEBI A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. 0 C13H18O2 InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N 206.28082 206.13068 CC(C)Cc1ccc(cc1)C(C)C(O)=O Beilstein:2049713 CAS:15687-27-1 DrugBank:DB01050 Drug_Central:1407 HMDB:HMDB0001925 KEGG:C01588 KEGG:D00126 LINCS:LSM-1354 PMID:11433218 PMID:12723739 PMID:14562167 PMID:15506544 PMID:16176022 PMID:18335846 PMID:18697608 PMID:21368281 PMID:24168233 PMID:25521617 PMID:25708941 PMID:25915907 PMID:29756342 Patent:GB971700 Patent:US3228831 Patent:US3385886 Patent:US5215755 Patent:US6727286 Reaxys:2049713 Wikipedia:Ibuprofen 2-[4-(2-methylpropyl)phenyl]propanoic acid Ibuprofen chebi_ontology (+-)-2-(p-isobutylphenyl)propionic acid (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid (+-)-ibuprofen (+-)-p-isobutylhydratropic acid (4-isobutylphenyl)-alpha-methylacetic acid (RS)-ibuprofen 2-(4-isobutylphenyl)propanoic acid 4-isobutylhydratropic acid Adran Advil Amibufen Anco Anflagen Apsifen Bluton Brufen Brufort Buburone Butylenin Dolgin Dolgirid Dolgit Dolo-Dolgit Ebufac Epobron Femadon Haltran Ibu-Attritin Ibumetin Ibuprocin Ibutid Inabrin Inoven Lamidon Lebrufen Liptan Medipren Motrin Mynosedin Nobfen Nobgen Nuprin Nurofen Pediaprofen Roidenin Rufen Seclodin Suspren Tabalon Trendar Urem alpha-(4-isobutylphenyl)propionic acid alpha-(p-isobutylphenyl)propionic acid CHEBI:5855 ibuprofen Beilstein:2049713 ChemIDplus CAS:15687-27-1 ChemIDplus CAS:15687-27-1 KEGG COMPOUND CAS:15687-27-1 NIST Chemistry WebBook Drug_Central:1407 DrugCentral PMID:11433218 Europe PMC PMID:12723739 Europe PMC PMID:14562167 Europe PMC PMID:15506544 Europe PMC PMID:16176022 Europe PMC PMID:18335846 Europe PMC PMID:18697608 Europe PMC PMID:21368281 Europe PMC PMID:24168233 Europe PMC PMID:25521617 Europe PMC PMID:25708941 Europe PMC PMID:25915907 Europe PMC PMID:29756342 Europe PMC Reaxys:2049713 Reaxys 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Ibuprofen KEGG_COMPOUND (+-)-2-(p-isobutylphenyl)propionic acid ChemIDplus (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid ChemIDplus (+-)-ibuprofen ChemIDplus (+-)-p-isobutylhydratropic acid ChemIDplus (4-isobutylphenyl)-alpha-methylacetic acid ChemIDplus (RS)-ibuprofen ChemIDplus 2-(4-isobutylphenyl)propanoic acid NIST_Chemistry_WebBook 4-isobutylhydratropic acid ChemIDplus Adran DrugBank Advil DrugBank Amibufen DrugBank Anco DrugBank Anflagen DrugBank Apsifen DrugBank Bluton DrugBank Brufen DrugBank Brufort DrugBank Buburone DrugBank Butylenin DrugBank Dolgin DrugBank Dolgirid DrugBank Dolgit DrugBank Dolo-Dolgit DrugBank Ebufac DrugBank Epobron DrugBank Femadon DrugBank Haltran DrugBank Ibu-Attritin DrugBank Ibumetin DrugBank Ibuprocin DrugBank Ibutid DrugBank Inabrin DrugBank Inoven DrugBank Lamidon DrugBank Lebrufen DrugBank Liptan DrugBank Medipren DrugBank Motrin ChemIDplus Motrin DrugBank Mynosedin DrugBank Nobfen DrugBank Nobgen DrugBank Nuprin DrugBank Nurofen DrugBank Pediaprofen DrugBank Roidenin DrugBank Rufen DrugBank Seclodin DrugBank Suspren DrugBank Tabalon DrugBank Trendar DrugBank Urem DrugBank alpha-(4-isobutylphenyl)propionic acid NIST_Chemistry_WebBook alpha-(p-isobutylphenyl)propionic acid NIST_Chemistry_WebBook A D-alpha-amino acid zwitterion that is D-tyrosine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1 OUYCCCASQSFEME-MRVPVSSYSA-N 181.18850 181.07389 [NH3+][C@H](Cc1ccc(O)cc1)C([O-])=O MetaCyc:D-TYROSINE (2R)-2-ammonio-3-(4-hydroxyphenyl)propanoate chebi_ontology D-tyrosine CHEBI:58570 D-tyrosine zwitterion (2R)-2-ammonio-3-(4-hydroxyphenyl)propanoate IUPAC D-tyrosine UniProt The simplest member of the class of ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitrogen mustard alkylating agent used in the treatment of advanced breast cancer. 0 C7H15Cl2N2O2P InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12) HOMGKSMUEGBAAB-UHFFFAOYSA-N 261.08600 260.02482 ClCCNP1(=O)OCCCN1CCCl CHEBI:219640 Beilstein:611835 CAS:3778-73-2 DrugBank:DB01181 Drug_Central:1421 HMDB:HMDB0015312 KEGG:C07047 KEGG:D00343 LINCS:LSM-5118 PMID:11550152 PMID:11669554 Reaxys:5802893 Wikipedia:Ifosfamide N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide chebi_ontology 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide Iphosphamide Isofosfamide Isophosphamide ifosfamida ifosfamide ifosfamidum isosfamide CHEBI:5864 ifosfamide Beilstein:611835 Beilstein CAS:3778-73-2 ChemIDplus CAS:3778-73-2 KEGG COMPOUND Drug_Central:1421 DrugCentral PMID:11550152 Europe PMC PMID:11669554 Europe PMC Reaxys:5802893 Reaxys N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide IUPAC 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide ChemIDplus Iphosphamide DrugBank Isofosfamide DrugBank Isophosphamide ChemIDplus Isophosphamide KEGG_COMPOUND ifosfamida ChemIDplus ifosfamide ChemIDplus ifosfamidum ChemIDplus isosfamide ChEBI An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1. 0 C9H10ClN5O2 InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) YWTYJOPNNQFBPC-UHFFFAOYSA-N 255.66100 255.05230 [O-][N+](=O)N=C1NCCN1Cc1ccc(Cl)nc1 Beilstein:5444268 CAS:105827-78-9 CAS:138261-41-3 KEGG:C11110 PMID:11502148 PMID:11673842 PMID:11699773 PMID:11872245 PMID:12146171 PMID:12720336 PMID:14690387 PMID:14747770 PMID:15154510 PMID:15212911 PMID:15246549 PMID:15922528 PMID:16156564 PMID:16160767 PMID:16406588 PMID:16453147 PMID:16539142 PMID:16690142 PMID:16845714 PMID:18069649 PMID:18188485 PMID:18190949 PMID:18348816 PMID:18924117 PMID:18973940 PMID:18977458 PMID:19916392 PMID:19962320 PMID:22022787 PMID:22083888 PMID:22119037 PMID:22200056 PMID:22224401 PMID:22228315 PMID:22290795 PMID:22370410 PMID:22375594 PMID:22375595 PMID:22395200 PMID:22398690 PMID:22420257 PMID:22447470 PMID:22459587 PMID:22461500 PMID:24515672 PMID:25155403 PMID:25314907 PMID:25342464 PMID:25467410 PMID:25492586 PMID:25557105 PMID:25597673 PMID:25607931 PMID:25612154 PMID:25618634 PMID:25666568 PMID:25755197 PMID:25799432 PMID:25826181 PMID:25837412 PMID:25840341 PMID:34634905 Patent:EP192060 Patent:US4742060 Pesticides:imidacloprid Reaxys:5444268 Wikipedia:Imidacloprid 1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine Imidacloprid chebi_ontology 1-((6-chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine 1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine IMD CHEBI:5870 imidacloprid Beilstein:5444268 Beilstein CAS:105827-78-9 ChemIDplus CAS:138261-41-3 ChemIDplus CAS:138261-41-3 KEGG COMPOUND PMID:11502148 Europe PMC PMID:11673842 Europe PMC PMID:11699773 Europe PMC PMID:11872245 Europe PMC PMID:12146171 Europe PMC PMID:12720336 Europe PMC PMID:14690387 Europe PMC PMID:14747770 Europe PMC PMID:15154510 Europe PMC PMID:15212911 Europe PMC PMID:15246549 Europe PMC PMID:15922528 Europe PMC PMID:16156564 Europe PMC PMID:16160767 Europe PMC PMID:16406588 Europe PMC PMID:16453147 Europe PMC PMID:16539142 Europe PMC PMID:16690142 Europe PMC PMID:16845714 Europe PMC PMID:18069649 Europe PMC PMID:18188485 Europe PMC PMID:18190949 Europe PMC PMID:18348816 Europe PMC PMID:18924117 Europe PMC PMID:18973940 Europe PMC PMID:18977458 Europe PMC PMID:19916392 Europe PMC PMID:19962320 Europe PMC PMID:22022787 Europe PMC PMID:22083888 Europe PMC PMID:22119037 Europe PMC PMID:22200056 Europe PMC PMID:22224401 Europe PMC PMID:22228315 Europe PMC PMID:22290795 Europe PMC PMID:22370410 Europe PMC PMID:22375594 Europe PMC PMID:22375595 Europe PMC PMID:22395200 Europe PMC PMID:22398690 Europe PMC PMID:22420257 Europe PMC PMID:22447470 Europe PMC PMID:22459587 Europe PMC PMID:22461500 Europe PMC PMID:24515672 Europe PMC PMID:25155403 Europe PMC PMID:25314907 Europe PMC PMID:25342464 Europe PMC PMID:25467410 Europe PMC PMID:25492586 Europe PMC PMID:25557105 Europe PMC PMID:25597673 Europe PMC PMID:25607931 Europe PMC PMID:25612154 Europe PMC PMID:25618634 Europe PMC PMID:25666568 Europe PMC PMID:25755197 Europe PMC PMID:25799432 Europe PMC PMID:25826181 Europe PMC PMID:25837412 Europe PMC PMID:25840341 Europe PMC PMID:34634905 Europe PMC Pesticides:imidacloprid Alan Wood's Pesticides Reaxys:5444268 Reaxys 1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine IUPAC Imidacloprid KEGG_COMPOUND 1-((6-chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine ChemIDplus 1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine ChemIDplus IMD ChEBI The zwitterionic form of an S-substituted L-cysteine. 0 C3H6NO2SR 120.151 120.01192 [NH3+][C@@H](CS[*])C([O-])=O CHEBI:74258 MetaCyc:S-Substituted-L-Cysteines PMID:17012540 chebi_ontology S-substituted L-cysteine zwitterions an S-substituted L-cysteine CHEBI:58717 S-substituted L-cysteine zwitterion MetaCyc:S-Substituted-L-Cysteines SUBMITTER PMID:17012540 SUBMITTER S-substituted L-cysteine zwitterions ChEBI an S-substituted L-cysteine UniProt A secondary aliphatic amine protonated on nitrogen. +1 CH4NR2 30.04920 30.03437 [*]C[NH2+][*] chebi_ontology a secondary aliphatic amine CHEBI:58855 secondary aliphatic ammonium ion a secondary aliphatic amine UniProt An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated. chebi_ontology organophosphate oxoanions CHEBI:58945 organophosphate oxoanion organophosphate oxoanions ChEBI Any fatty acid anion with a chain length greater than C22. -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology a very long-chain fatty acid very long-chain fatty acid anions CHEBI:58950 very long-chain fatty acid anion a very long-chain fatty acid UniProt very long-chain fatty acid anions ChEBI Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6). -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology a short-chain fatty acid short-chain fatty acid anions CHEBI:58951 short-chain fatty acid anion a short-chain fatty acid UniProt short-chain fatty acid anions ChEBI Any fatty acid anion in which there is no C-C unsaturation. chebi_ontology saturated fatty acid anions CHEBI:58953 saturated fatty acid anion saturated fatty acid anions ChEBI Any saturated fatty acid anion lacking a carbon side-chain. chebi_ontology straight-chain saturated fatty acid anions CHEBI:58954 straight-chain saturated fatty acid anion straight-chain saturated fatty acid anions ChEBI Any fatty acid anion with a carbon side-chain or isopropyl termination. chebi_ontology branched-chain fatty acid anions CHEBI:58955 branched-chain fatty acid anion branched-chain fatty acid anions ChEBI Any saturated fatty acid anion with a carbon side-chain or isopropyl termination. chebi_ontology branched-chain saturated fatty acid anions CHEBI:58956 branched-chain saturated fatty acid anion branched-chain saturated fatty acid anions ChEBI An organic anion of general formula RS(=O)2O(-) where R is an organyl group. -1 O4SR 96.06300 95.95173 [O-]S(=O)(=O)O[*] chebi_ontology organosulfate oxoanions CHEBI:58958 organosulfate oxoanion organosulfate oxoanions ChEBI The conjugate acid of piperidine; major species at pH 7.3. +1 C5H12N InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/p+1 NQRYJNQNLNOLGT-UHFFFAOYSA-O 86.156 86.09643 C1CCCC[NH2+]1 Gmelin:239816 MetaCyc:PIPERIDINE piperidinium chebi_ontology hexahydropyridinium piperidine piperidinium cation piperidinium(1+) CHEBI:589779 piperidinium Gmelin:239816 Gmelin piperidinium IUPAC hexahydropyridinium ChEBI piperidine UniProt piperidinium cation ChEBI piperidinium(1+) ChEBI The diepoxide of 4-vinylcyclohexene. 0 C8H12O2 InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2 OECTYKWYRCHAKR-UHFFFAOYSA-N 140.17970 140.08373 C1CC2OC2CC1C1CO1 Beilstein:106071 CAS:106-87-6 KEGG:C19311 PMID:3356477 PMID:7496092 Reaxys:106071 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane chebi_ontology 1-Epoxyethyl-3,4-epoxycyclohexane 1-Ethyleneoxy-3,4-epoxycyclohexane 1-Vinyl-3-cyclohexene dioxide 3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane 3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane 3-Oxiranyl-7-oxabicyclo(4.1.0)heptane 4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane 4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane 4-Vinyl-1,2-cyclohexene diepoxide 4-Vinyl-1-cyclohexene dioxide 4-Vinylcyclohexene diepoxide Vinyl cyclohexene diepoxide Vinyl cyclohexene dioxide CHEBI:59001 4-vinylcyclohexene dioxide Beilstein:106071 Beilstein CAS:106-87-6 ChemIDplus CAS:106-87-6 KEGG COMPOUND PMID:3356477 Europe PMC PMID:7496092 Europe PMC Reaxys:106071 Reaxys 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane IUPAC 1-Epoxyethyl-3,4-epoxycyclohexane ChemIDplus 1-Ethyleneoxy-3,4-epoxycyclohexane ChemIDplus 1-Vinyl-3-cyclohexene dioxide ChemIDplus 3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane ChemIDplus 3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane ChemIDplus 3-Oxiranyl-7-oxabicyclo(4.1.0)heptane ChemIDplus 4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane ChemIDplus 4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane ChemIDplus 4-Vinyl-1,2-cyclohexene diepoxide ChemIDplus 4-Vinyl-1-cyclohexene dioxide ChemIDplus 4-Vinylcyclohexene diepoxide ChemIDplus Vinyl cyclohexene diepoxide ChemIDplus Vinyl cyclohexene dioxide ChemIDplus The dimethyl ester of sulfuric acid. 0 C2H6O4S InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3 VAYGXNSJCAHWJZ-UHFFFAOYSA-N 126.13200 125.99868 COS(=O)(=O)OC CHEBI:371544 Beilstein:635994 CAS:77-78-1 KEGG:C19177 PMID:2299638 dimethyl sulfate chebi_ontology DMS Dimethoxysulfone Dimethyl monosulfate Dimethyl sulphate Sulfate dimethylique Sulfato de dimetilo Sulfuric acid dimethyl ester Sulfuric acid, dimethyl ester CHEBI:59050 dimethyl sulfate Beilstein:635994 Beilstein CAS:77-78-1 ChemIDplus CAS:77-78-1 KEGG COMPOUND CAS:77-78-1 NIST Chemistry WebBook PMID:2299638 ChEMBL dimethyl sulfate IUPAC DMS NIST_Chemistry_WebBook Dimethoxysulfone NIST_Chemistry_WebBook Dimethyl monosulfate ChemIDplus Dimethyl sulphate ChemIDplus Sulfate dimethylique ChemIDplus Sulfato de dimetilo ChemIDplus Sulfuric acid dimethyl ester ChEMBL Sulfuric acid, dimethyl ester SUBMITTER The isocyanate that is methane modified by a single isocyanato substituent. 0 C2H3NO InChI=1S/C2H3NO/c1-3-2-4/h1H3 HAMGRBXTJNITHG-UHFFFAOYSA-N 57.05130 57.02146 CN=C=O Beilstein:605318 CAS:624-83-9 DrugBank:DB04337 Gmelin:100500 PMID:16091349 PMID:19494520 PMID:24081639 PMID:3622432 PMID:6821040 Reaxys:605318 isocyanatomethane methyl isocyanate chebi_ontology Iso-cyanatomethane Isocyanate de methyle MIC Methyl carbonimide Methyl isocyanide Methylcarbylamine isocyanatomethane CHEBI:59059 methyl isocyanate Beilstein:605318 ChemIDplus CAS:624-83-9 ChemIDplus CAS:624-83-9 NIST Chemistry WebBook Gmelin:100500 Gmelin PMID:16091349 Europe PMC PMID:19494520 Europe PMC PMID:24081639 Europe PMC PMID:3622432 Europe PMC PMID:6821040 Europe PMC Reaxys:605318 Reaxys isocyanatomethane IUPAC methyl isocyanate UniProt Iso-cyanatomethane ChemIDplus Isocyanate de methyle ChemIDplus MIC NIST_Chemistry_WebBook Methyl carbonimide ChemIDplus Methyl isocyanide ChemIDplus Methylcarbylamine ChemIDplus isocyanatomethane ChEBI Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of a metalloendopeptidase (EC 3.4.24.*). CHEBI:76786 chebi_ontology EC 3.4.24.* (metalloendopeptidase) inhibitors EC 3.4.24.* inhibitor EC 3.4.24.* inhibitors inhibitor of metalloendopeptidases inhibitor of metalloendopeptidases (EC 3.4.24.*) inhibitors of metalloendopeptidases inhibitors of metalloendopeptidases (EC 3.4.24.*) metalloendopeptidase (EC 3.4.24.*) inhibitor metalloendopeptidase (EC 3.4.24.*) inhibitors metalloendopeptidase inhibitors CHEBI:59107 EC 3.4.24.* (metalloendopeptidase) inhibitor EC 3.4.24.* (metalloendopeptidase) inhibitors ChEBI EC 3.4.24.* inhibitor ChEBI EC 3.4.24.* inhibitors ChEBI inhibitor of metalloendopeptidases ChEBI inhibitor of metalloendopeptidases (EC 3.4.24.*) ChEBI inhibitors of metalloendopeptidases ChEBI inhibitors of metalloendopeptidases (EC 3.4.24.*) ChEBI metalloendopeptidase (EC 3.4.24.*) inhibitor ChEBI metalloendopeptidase (EC 3.4.24.*) inhibitors ChEBI metalloendopeptidase inhibitors ChEBI Conjugate base of O-methylsalicylic acid. -1 C8H7O3 InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1 ILUJQPXNXACGAN-UHFFFAOYSA-M 151.13940 151.04007 COc1ccccc1C([O-])=O Beilstein:3905613 Gmelin:329974 Reaxys:3905613 chebi_ontology 2-methoxybenzoate o-methoxybenzoic acid anion CHEBI:59128 O-methylsalicylate Beilstein:3905613 Beilstein Gmelin:329974 Gmelin Reaxys:3905613 Reaxys 2-methoxybenzoate UniProt o-methoxybenzoic acid anion ChEBI Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC). chebi_ontology antigens CHEBI:59132 antigen antigens ChEBI A carboxylic acid anion arising from deprotonation of one or more carboxy groups of any gibberellin. chebi_ontology gibberellin monocarboxylic acid anions CHEBI:59139 gibberellin carboxylic acid anion gibberellin monocarboxylic acid anions ChEBI A substance used as an indicator of a biological state. chebi_ontology biological marker CHEBI:59163 biomarker biological marker ChEBI Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals. PMID:17875790 PMID:17986299 PMID:19101624 PMID:291959 PMID:3782019 chebi_ontology haptens CHEBI:59174 hapten PMID:17875790 Europe PMC PMID:17986299 Europe PMC PMID:19101624 Europe PMC PMID:291959 Europe PMC PMID:3782019 Europe PMC haptens ChEBI Any fatty acid whose skeletal carbon atoms form an unbranched open chain. chebi_ontology straight-chain fatty acids CHEBI:59202 straight-chain fatty acid straight-chain fatty acids ChEBI A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid. chebi_ontology straight-chain FA anion straight-chain FA anions straight-chain fatty acid anions CHEBI:59203 straight-chain fatty acid anion straight-chain FA anion ChEBI straight-chain FA anions ChEBI straight-chain fatty acid anions ChEBI Any fatty acid containing anywhere in its structure a ring of atoms. PMID:17113094 PMID:9300789 chebi_ontology acides gras cycliques acidos grasos ciclicos cyclic fatty acids zyklische Fettsaeuren CHEBI:59238 cyclic fatty acid PMID:17113094 Europe PMC PMID:9300789 Europe PMC acides gras cycliques ChEBI acidos grasos ciclicos ChEBI cyclic fatty acids ChEBI zyklische Fettsaeuren ChEBI Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the activity of a serine endopeptidase (EC 3.4.21.*). chebi_ontology EC 3.4.21.* (serine endopeptidase) inhibitors EC 3.4.21.* inhibitor EC 3.4.21.* inhibitors inhibitor of serine endopeptidase (EC 3.4.21.*) inhibitor of serine endopeptidase (EC 3.4.21.*)s serine endopeptidase inhibitor serine endopeptidase inhibitors CHEBI:5924 EC 3.4.21.* (serine endopeptidase) inhibitor EC 3.4.21.* (serine endopeptidase) inhibitors ChEBI EC 3.4.21.* inhibitor ChEBI EC 3.4.21.* inhibitors ChEBI inhibitor of serine endopeptidase (EC 3.4.21.*) ChEBI inhibitor of serine endopeptidase (EC 3.4.21.*)s ChEBI serine endopeptidase inhibitor ChEBI serine endopeptidase inhibitors ChEBI A compound that exhibits agonist activity at the kappa-opioid receptor. chebi_ontology kappa-opioid agonist kappa-opioid receptor agonists CHEBI:59282 kappa-opioid receptor agonist kappa-opioid agonist ChEBI kappa-opioid receptor agonists ChEBI A prostanoid anion obtained by deprotonation of the carboxy group of any prostaglandin. chebi_ontology prostaglandin carboxylic acid anions CHEBI:59326 prostaglandin carboxylic acid anion prostaglandin carboxylic acid anions ChEBI An aromatic ketone that is propiophenone substituted at C-4 and at C-beta with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes. 0 C11H15NO InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3 YELGFTGWJGBAQU-UHFFFAOYSA-N 177.24290 177.11536 CNC(C)C(=O)c1ccc(C)cc1 Beilstein:2717770 CAS:1189805-46-6 HMDB:HMDB0041923 PMID:23949206 PMID:24446273 PMID:24456744 Patent:US2012094316 Reaxys:2717770 Wikipedia:Mephedrone 2-(methylamino)-1-(4-methylphenyl)propan-1-one chebi_ontology 4-MMC 4-methylephedrone 4-methylmethcathinone CHEBI:59331 mephedrone Beilstein:2717770 Beilstein CAS:1189805-46-6 ChemIDplus PMID:23949206 Europe PMC PMID:24446273 Europe PMC PMID:24456744 Europe PMC Reaxys:2717770 Reaxys 2-(methylamino)-1-(4-methylphenyl)propan-1-one IUPAC 4-MMC ChEBI 4-methylephedrone ChEBI 4-methylmethcathinone ChEBI The conjugate acid of methylamine; major species at pH 7.3. +1 CH6N InChI=1S/CH5N/c1-2/h2H2,1H3/p+1 BAVYZALUXZFZLV-UHFFFAOYSA-O 32.06500 32.04948 C[NH3+] CHEBI:57913 Gmelin:130100 MetaCyc:METHYLAMINE methanaminium chebi_ontology methanaminium cation methylamine methylaminium cation CHEBI:59338 methylammonium Gmelin:130100 Gmelin methanaminium IUPAC methanaminium cation ChEBI methylamine UniProt methylaminium cation ChEBI A glycopeptide that is N-propionyl-L-alanyl-D-alpha-glutamine in which the pro-R hydrogen of the propionyl group has been replaced by the oxygen at position 3 of 2-acetamido-2-deoxy-beta-D-glucopyranose. A peptidoglycan constituent of both Gram-positive and Gram-negative bacteria. 0 C19H32N4O11 InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1 BSOQXXWZTUDTEL-ZUYCGGNHSA-N 492.47760 492.20676 C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O CHEBI:378548 Beilstein:5323915 CAS:53678-77-6 Patent:DE2450355 Patent:US4235771 chebi_ontology Acetylmuramyl-L-alanyl-D-isoglutamine Acetylmuramyl-alanyl-isoglutamine MDP MurNAc-L-Ala-gamma-D-Glu N-acetylmuramyl-L-alanyl-D-isoglutamine N2-(N-(N-Acetylmuramoyl)-L-alanyl)-D-alpha-glutamine CHEBI:59414 muramyl dipeptide Beilstein:5323915 Beilstein CAS:53678-77-6 ChemIDplus Acetylmuramyl-L-alanyl-D-isoglutamine SUBMITTER Acetylmuramyl-alanyl-isoglutamine ChemIDplus MDP SUBMITTER MurNAc-L-Ala-gamma-D-Glu ChEBI N-acetylmuramyl-L-alanyl-D-isoglutamine ChEBI N2-(N-(N-Acetylmuramoyl)-L-alanyl)-D-alpha-glutamine ChemIDplus Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the action of a dipeptidase (EC 3.4.13.*). chebi_ontology EC 3.4.13.* (dipeptidase) inhibitors EC 3.4.13.* inhibitor EC 3.4.13.* inhibitors dipeptidase inhibitor dipeptidase inhibitors CHEBI:59499 EC 3.4.13.* (dipeptidase) inhibitor EC 3.4.13.* (dipeptidase) inhibitors ChEBI EC 3.4.13.* inhibitor ChEBI EC 3.4.13.* inhibitors ChEBI dipeptidase inhibitor ChEBI dipeptidase inhibitors ChEBI The anion resulting from the removal of a proton from a carboxylic acid group of cilastatin. -1 C16H25N2O5S InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/p-1/b12-6-/t10-,11+/m1/s1 DHSUYTOATWAVLW-WFVMDLQDSA-M 357.44500 357.14897 CC1(C)C[C@@H]1C(=O)N\C(C(O)=O)=C/CCCCSC[C@H](N)C([O-])=O Beilstein:8168990 (2R)-2-amino-3-{[(5Z)-6-carboxy-6-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hex-5-en-1-yl]sulfanyl}propanoate chebi_ontology (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoate cilastatin anion CHEBI:59512 cilastatin(1-) Beilstein:8168990 Beilstein (2R)-2-amino-3-{[(5Z)-6-carboxy-6-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hex-5-en-1-yl]sulfanyl}propanoate IUPAC (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoate IUPAC cilastatin anion ChEBI Any substance that inhibits the synthesis of DNA. chebi_ontology DNA synthesis inhibitors CHEBI:59517 DNA synthesis inhibitor DNA synthesis inhibitors ChEBI The anion formed from naproxen by loss of a proton from the carboxy group. -1 C14H13O3 InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-M 229.25120 229.08702 COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O Beilstein:4461309 (2S)-2-(6-methoxynaphthalen-2-yl)propanoate chebi_ontology naproxen CHEBI:59527 naproxen(1-) Beilstein:4461309 Beilstein (2S)-2-(6-methoxynaphthalen-2-yl)propanoate IUPAC naproxen ChEBI Any antigen that is a phosphorylated microbial metabolite which activates an immune response in humans. chebi_ontology phosphoantigens CHEBI:59544 phosphoantigen phosphoantigens ChEBI Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement. PMID:1745654 PMID:19034351 PMID:7609665 chebi_ontology EFA EFAs EFS acides gras indispensables acidos grasos esenciales essential fatty acids essentielle Fettsaeuren CHEBI:59549 essential fatty acid PMID:1745654 Europe PMC PMID:19034351 Europe PMC PMID:7609665 Europe PMC EFA ChEBI EFAs ChEBI EFS ChEBI acides gras indispensables ChEBI acidos grasos esenciales ChEBI essential fatty acids ChEBI essentielle Fettsaeuren ChEBI Any fatty acid with a chain length of between C6 and C12. 0 CHO2R 45.01740 44.99765 OC([*])=O chebi_ontology MCFA MCFAs medium-chain fatty acids CHEBI:59554 medium-chain fatty acid MCFA ChEBI MCFAs ChEBI medium-chain fatty acids ChEBI A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid. -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology MCFA anion MCFA anions a medium chain fatty acid medium-chain FA anion medium-chain FA anions medium-chain fatty acid anions CHEBI:59558 medium-chain fatty acid anion MCFA anion ChEBI MCFA anions ChEBI a medium chain fatty acid UniProt medium-chain FA anion ChEBI medium-chain FA anions ChEBI medium-chain fatty acid anions ChEBI An organic anion that is the conjugate base of diamino acid. chebi_ontology diamino acid anions CHEBI:59561 diamino acid anion diamino acid anions ChEBI A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. 0 C25H28N6O InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N 428.52966 428.23246 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Beilstein:6620400 CAS:138402-11-6 DrugBank:DB01029 Drug_Central:1481 KEGG:C07469 KEGG:D00523 LINCS:LSM-3338 PMID:15101793 PMID:15210574 PMID:15526904 Patent:US5270317 Patent:WO9114679 Reaxys:6620400 Wikipedia:Irbesartan 2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one Irbesartan chebi_ontology 2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one Avapro BMS 186295 irbesartan CHEBI:5959 irbesartan Beilstein:6620400 Beilstein CAS:138402-11-6 ChemIDplus CAS:138402-11-6 KEGG COMPOUND Drug_Central:1481 DrugCentral PMID:15101793 Europe PMC PMID:15210574 Europe PMC PMID:15526904 Europe PMC Reaxys:6620400 Reaxys 2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one IUPAC Irbesartan KEGG_COMPOUND 2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one IUPAC Avapro KEGG_DRUG BMS 186295 ChemIDplus irbesartan ChemIDplus A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent. 0 C9H16Cl2N4 InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1 UKHVLWKBNNSRRR-UHFFFAOYSA-M 251.15600 250.07520 [Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2 Beilstein:9300843 CAS:4080-31-3 PMID:15462465 PMID:20433443 PMID:20448270 PMID:21616561 PMID:22653068 PMID:26821003 1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride chebi_ontology 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride 1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride CTAC Hexamethylenetetramine chloroallyl chloride Methenamine 3-chloroallylochloride N-(3-Chloroallyl)hexaminium chloride quaternium 15 CHEBI:59607 quaternium-15 Beilstein:9300843 Beilstein CAS:4080-31-3 ChemIDplus PMID:15462465 Europe PMC PMID:20433443 Europe PMC PMID:20448270 Europe PMC PMID:21616561 Europe PMC PMID:22653068 Europe PMC PMID:26821003 Europe PMC 1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride IUPAC 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride ChemIDplus 1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride ChemIDplus CTAC ChEBI Hexamethylenetetramine chloroallyl chloride ChemIDplus Methenamine 3-chloroallylochloride ChemIDplus N-(3-Chloroallyl)hexaminium chloride ChemIDplus quaternium 15 ChEBI A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6. 0 C11H19N5S InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16) HDHLIWCXDDZUFH-UHFFFAOYSA-N 253.36826 253.13612 CSc1nc(NC2CC2)nc(NC(C)(C)C)n1 Beilstein:792218 CAS:28159-98-0 KEGG:C10927 PMID:17136316 PMID:22789406 PMID:23722069 PPDB:2747 Reaxys:792218 N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine chebi_ontology Cybutryne Irgarol 1051 CHEBI:5962 irgarol 1051 Beilstein:792218 Beilstein CAS:28159-98-0 ChemIDplus PMID:17136316 Europe PMC PMID:22789406 Europe PMC PMID:23722069 Europe PMC Reaxys:792218 Reaxys N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine IUPAC Cybutryne ChemIDplus Irgarol 1051 ChEBI An N-acylglucosamine where the N-acyl group is specified as acetyl. PMID:18499511 chebi_ontology N-acetylglucosamines CHEBI:59640 N-acetylglucosamine PMID:18499511 Europe PMC N-acetylglucosamines ChEBI Any fatty acid having at least one of the chain methylene groups replaced by sulfur. Members of this group are believed to have important pharmacological (antioxidant and antiatherosclerosis) properties. PMID:15825830 PMID:15949791 PMID:9030189 chebi_ontology sulfur-containing fatty acid sulfur-containing fatty acids thia fatty acids CHEBI:59643 thia fatty acid PMID:15825830 Europe PMC PMID:15949791 Europe PMC PMID:9030189 Europe PMC sulfur-containing fatty acid ChEBI sulfur-containing fatty acids ChEBI thia fatty acids ChEBI Any fatty acid containing at least one aldehydic or ketonic group in addition to the carboxylic acid group. PMID:6434570 PMID:8454196 PMID:8638935 chebi_ontology oxo fatty acids CHEBI:59644 oxo fatty acid PMID:6434570 Europe PMC PMID:8454196 Europe PMC PMID:8638935 Europe PMC oxo fatty acids ChEBI chebi_ontology CHEBI:59659 pyrenes A drug, usually applied topically, that relieves pruritus (itching). chebi_ontology anti-itching drug anti-itching drugs antipruritic agent antipruritic agents antipruritic drugs CHEBI:59683 antipruritic drug anti-itching drug ChEBI anti-itching drugs ChEBI antipruritic agent ChEBI antipruritic agents ChEBI antipruritic drugs ChEBI Compounds containing one or more phosphoric acid units. chebi_ontology CHEBI:59698 phosphoric acids An anion arising from deprotonation of the carboxylic acid function of any mono-hydroperoxy (e)icosatetraenoic acid (HPETE) -1 C20H31O4 335.45830 335.22223 chebi_ontology HPETE anions a hydroperoxyeicosatetraenoate hydroperoxyeicosatetraenoate hydroperoxyeicosatetraenoates CHEBI:59720 HPETE anion HPETE anions ChEBI a hydroperoxyeicosatetraenoate UniProt hydroperoxyeicosatetraenoate ChEBI hydroperoxyeicosatetraenoates ChEBI An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a nucleoside triphosphate. chebi_ontology ribonucleoside triphosphate anion ribonucleoside triphosphate anions ribonucleoside triphosphate oxoanions CHEBI:59724 ribonucleoside triphosphate oxoanion ribonucleoside triphosphate anion ChEBI ribonucleoside triphosphate anions ChEBI ribonucleoside triphosphate oxoanions ChEBI The anion obtained by removal of the proton from the carboxylic acid group of amidotrizoic acid. -1 C11H8I3N2O4 InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)/p-1 YVPYQUNUQOZFHG-UHFFFAOYSA-M 612.90560 612.76237 CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I Beilstein:4005652 3,5-bis(acetylamino)-2,4,6-triiodobenzoate chebi_ontology 2,4,6-triiodo-3,5-diacetamidobenzoate 2,4,6-triiodo-3,5-diacetamidobenzoic acid anion 2,4,6-triiodo-3,5-diacetamidobenzoic acid(1-) 3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid anion 3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid(1-) amidotrizoate amidotrizoic acid(1-) CHEBI:59731 amidotrizoic acid anion Beilstein:4005652 Beilstein 3,5-bis(acetylamino)-2,4,6-triiodobenzoate IUPAC 2,4,6-triiodo-3,5-diacetamidobenzoate ChEBI 2,4,6-triiodo-3,5-diacetamidobenzoic acid anion ChEBI 2,4,6-triiodo-3,5-diacetamidobenzoic acid(1-) ChEBI 3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid anion ChEBI 3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid(1-) ChEBI amidotrizoate ChEBI amidotrizoic acid(1-) ChEBI electrophilic reagent A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons. chebi_ontology nucleophile nucleophiles nucleophilic reagents CHEBI:59740 nucleophilic reagent nucleophile ChEBI nucleophiles ChEBI nucleophilic reagents ChEBI A reagent used to improve selectivity in chromatographic analyses or separations, e.g. by formation of a derivative or by modification of the mobile phase. chebi_ontology derivatising reagents derivatizing reagent derivatizing reagents CHEBI:59745 chromatographic reagent derivatising reagents ChEBI derivatizing reagent ChEBI derivatizing reagents ChEBI An aldehyde derived from an aliphatic compound chebi_ontology aliphatic aldehydes CHEBI:59768 aliphatic aldehyde aliphatic aldehydes ChEBI An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ. chebi_ontology acetals CHEBI:59769 acetal acetals ChEBI An acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring. chebi_ontology cyclic acetals CHEBI:59770 cyclic acetal cyclic acetals ChEBI A hemiacetal having the structure RR(1)C(OH)OR(2) (R, R(1), R(2) =/= H), derived from a ketone by formal addition of an alcohol to the carbonyl group. 0 CHO2R3 45.017 44.99765 C(*)(O)(O*)* chebi_ontology hemiketals CHEBI:59772 hemiketal hemiketals ChEBI An acetal of formula R2C(OR)2 (R =/= H) derived from a ketone by replacement of the oxo group by two hydrocarbyloxy groups. The class name 'ketals', once abandoned by IUPAC, has been reinstated as a subclass of acetals. chebi_ontology ketals CHEBI:59777 ketal ketals ChEBI A ketal in the molecule of which the ketal carbon and one or both oxygen atoms thereon are members of a ring. chebi_ontology cyclic ketals CHEBI:59779 cyclic ketal cyclic ketals ChEBI A hemiacetal having the structure R2C(OH)OR (R =/= H), derived from a ketone by formal addition of an alcohol to the carbonyl group. The term 'cyclic hemiketals', once abandoned by IUPAC, has been reinstated as a subclass of hemiacetals. chebi_ontology cyclic hemiketals CHEBI:59780 cyclic hemiketal cyclic hemiketals ChEBI The sulfur analogue of 'acetal'. The term includes monothioacetals having the structure R2C(OR')(SR') (subclass monothioketals, R =/= H); and dithioacetals having the structure R2C(SR')2 (subclass dithioketals, R =/= H, R' =/= H). chebi_ontology thioacetals CHEBI:59792 thioacetal thioacetals ChEBI A thioacetal having the structure R2C(OR')(SR'). The term includes monothioketals, R =/= H, as a subclass. 0 COSR4 60.07500 59.96699 [*]OC([*])([*])S[*] chebi_ontology monothioacetals thioacetal CHEBI:59793 monothioacetal monothioacetals ChEBI thioacetal ChEBI A thioacetal having the structure R2C(SR')2. The term includes dithioketals (R =/= H, R' =/= H) as a subclass. 0 CS2R4 76.14100 75.94414 [*]SC([*])([*])S[*] chebi_ontology dithioacetals CHEBI:59794 dithioacetal dithioacetals ChEBI A dithioacetal of formula R2C(SR')2, R =/= H, R' =/= H. chebi_ontology dithioketals CHEBI:59800 dithioketal dithioketals ChEBI The conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. +1 C10H15N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-O 163.23900 163.12297 C[NH+]1CCC[C@H]1c1cccnc1 Gmelin:329042 MetaCyc:NICOTINE (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium chebi_ontology (S)-nicotine (S)-nicotinium cation CHEBI:59806 (S)-nicotinium(1+) Gmelin:329042 Gmelin Gmelin:329042 Gmelin (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium IUPAC (S)-nicotine UniProt (S)-nicotinium cation ChEBI The trihydrate form of docetaxel. It is used for the treatment of breast, ovarian, and non-small cell lung cancer, and with prednisone or prednisolone in hormone-refractory metastatic prostate cancer. 0 C43H59NO17 InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1 XCDIRYDKECHIPE-QHEQPUDQSA-N 861.92510 861.37830 O.O.O.[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 Beilstein:10054412 CAS:148408-66-6 DrugBank:DB01248 KEGG:D02165 Patent:EP253738 Patent:US4814470 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3) chebi_ontology N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel trihydrate N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol trihydrate docetaxel CHEBI:59809 docetaxel trihydrate Beilstein:10054412 Beilstein CAS:148408-66-6 ChemIDplus CAS:148408-66-6 KEGG DRUG 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3) IUPAC N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel trihydrate ChEBI N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol trihydrate ChEBI docetaxel ChemIDplus Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group. -1 C2H3NO2R 73.051 73.01638 [C@H](C(=O)[O-])(N)* chebi_ontology L-alpha-amino carboxylate CHEBI:59814 L-alpha-amino acid anion L-alpha-amino carboxylate ChEBI A synthetic progestogen. Wikipedia:Progestin chebi_ontology progestins CHEBI:59826 progestin progestins ChEBI The conjugate base of any hydroxy fatty acid, formed by deprotonation of the carboxylic acid moiety. chebi_ontology OH-FA anion OH-FA-anions OH-fatty acid anion OH-fatty acid anions hydroxy fatty acid anions CHEBI:59835 hydroxy fatty acid anion OH-FA anion ChEBI OH-FA-anions ChEBI OH-fatty acid anion ChEBI OH-fatty acid anions ChEBI hydroxy fatty acid anions ChEBI A fatty acid anion carrying one or more oxo substituents chebi_ontology oxo fatty acid anions oxo-FA anion oxo-FA anions CHEBI:59836 oxo fatty acid anion oxo fatty acid anions ChEBI oxo-FA anion ChEBI oxo-FA anions ChEBI The conjugate base of any thia fatty acid, formed by deprotonation of the carboxylic acid moiety. PMID:9030189 chebi_ontology thia fatty acid anions thia-FA anion thia-FA anions thia-fatty acid anion thia-fatty acid anions CHEBI:59848 thia fatty acid anion PMID:9030189 Europe PMC thia fatty acid anions ChEBI thia-FA anion ChEBI thia-FA anions ChEBI thia-fatty acid anion ChEBI thia-fatty acid anions ChEBI Any compound containing a (halomethyl)benzene skeleton. chebi_ontology benzyl halides CHEBI:59851 benzyl halide benzyl halides ChEBI Any benzyl halide containing a (chloromethyl)benzene skeleton. chebi_ontology benzylic chloride benzylic chlorides CHEBI:59852 benzyl chlorides benzylic chloride ChEBI benzylic chlorides ChEBI Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group. 0 C2H4NO2R 74.059 74.02420 [NH3+][C@@H]([*])C([O-])=O chebi_ontology L-alpha-amino acid zwitterions an L-alpha-amino acid CHEBI:59869 L-alpha-amino acid zwitterion L-alpha-amino acid zwitterions ChEBI an L-alpha-amino acid UniProt Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group. 0 C2H4NO2R 74.059 74.02420 [NH3+][C@H]([*])C([O-])=O chebi_ontology D-alpha-amino acid zwitterions a D-alpha-amino acid CHEBI:59871 D-alpha-amino acid zwitterion D-alpha-amino acid zwitterions ChEBI a D-alpha-amino acid UniProt A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group. -1 C3H2NO3R2 100.05290 100.00347 [O-]C(=O)[C@H]([*])NC([*])=O chebi_ontology N-acyl-L-alpha-amino acid(1-) an N-acyl-L-amino acid CHEBI:59874 N-acyl-L-alpha-amino acid anion N-acyl-L-alpha-amino acid(1-) ChEBI an N-acyl-L-amino acid UniProt The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group. -1 C3H2NO3R2 100.05290 100.00347 [O-]C(=O)[C@@H]([*])NC([*])=O chebi_ontology N-acyl-D-alpha-amino acid(1-) an N-acyl-D-amino acid CHEBI:59876 N-acyl-D-alpha-amino acid anion N-acyl-D-alpha-amino acid(1-) ChEBI an N-acyl-D-amino acid UniProt Zwitterionic form of gamma-aminobutyric acid having an anionic carboxy group and a protonated amino group. 0 C4H9NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N 103.11980 103.06333 [NH3+]CCCC([O-])=O Gmelin:1041559 4-azaniumylbutanoate chebi_ontology 4-aminobutanoate 4-ammoniobutanoate CHEBI:59888 gamma-aminobutyric acid zwitterion Gmelin:1041559 Gmelin 4-azaniumylbutanoate IUPAC 4-aminobutanoate UniProt 4-ammoniobutanoate ChEBI A DNA polymerase inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need in order to reproduce. Wikipedia:Reverse-transcriptase_inhibitor chebi_ontology DNA nucleotidyltransferase (RNA-directed) inhibitor DNA nucleotidyltransferase (RNA-directed) inhibitors EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitors EC 2.7.7.49 inhibitor EC 2.7.7.49 inhibitors RNA revertase inhibitor RNA revertase inhibitors RNA-dependent DNA polymerase inhibitor RNA-dependent DNA polymerase inhibitors RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitor RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitors RNA-directed DNA polymerase (EC 2.7.7.49) inhibitor RNA-directed DNA polymerase (EC 2.7.7.49) inhibitors RNA-directed DNA polymerase inhibitor RNA-directed DNA polymerase inhibitors RNA-instructed DNA polymerase inhibitor RNA-instructed DNA polymerase inhibitors RT inhibitor RT inhibitors deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitor deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitors reverse transcriptase inhibitor reverse transcriptase inhibitors revertase inhibitor revertase inhibitors telomerase inhibitor telomerase inhibitors CHEBI:59897 EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor DNA nucleotidyltransferase (RNA-directed) inhibitor ChEBI DNA nucleotidyltransferase (RNA-directed) inhibitors ChEBI EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitors ChEBI EC 2.7.7.49 inhibitor ChEBI EC 2.7.7.49 inhibitors ChEBI RNA revertase inhibitor ChEBI RNA revertase inhibitors ChEBI RNA-dependent DNA polymerase inhibitor ChEBI RNA-dependent DNA polymerase inhibitors ChEBI RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitor ChEBI RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitors ChEBI RNA-directed DNA polymerase (EC 2.7.7.49) inhibitor ChEBI RNA-directed DNA polymerase (EC 2.7.7.49) inhibitors ChEBI RNA-directed DNA polymerase inhibitor ChEBI RNA-directed DNA polymerase inhibitors ChEBI RNA-instructed DNA polymerase inhibitor ChEBI RNA-instructed DNA polymerase inhibitors ChEBI RT inhibitor ChEBI RT inhibitors ChEBI deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitor ChEBI deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitors ChEBI reverse transcriptase inhibitor ChEBI reverse transcriptase inhibitors ChEBI revertase inhibitor ChEBI revertase inhibitors ChEBI telomerase inhibitor ChEBI telomerase inhibitors ChEBI An ammonium ion that is the conjugate acid of dopamine; major species at pH 7.3. +1 C8H12NO2 InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1 VYFYYTLLBUKUHU-UHFFFAOYSA-O 154.18640 154.08626 [NH3+]CCc1ccc(O)c(O)c1 Gmelin:328863 2-(3,4-dihydroxyphenyl)ethanaminium chebi_ontology 2-(3,4-dihydroxyphenyl)ethan-1-aminium dopamine dopaminium cation CHEBI:59905 dopaminium(1+) Gmelin:328863 Gmelin 2-(3,4-dihydroxyphenyl)ethanaminium IUPAC 2-(3,4-dihydroxyphenyl)ethan-1-aminium ChEBI dopamine UniProt dopaminium cation ChEBI Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals. chebi_ontology EC 1.14.18.1 (tyrosinase) inhibitors EC 1.14.18.1 inhibitor EC 1.14.18.1 inhibitors L-tyrosine,L-dopa:oxygen oxidoreductase inhibitor L-tyrosine,L-dopa:oxygen oxidoreductase inhibitors NN-acetyl-6-hydroxytryptophan oxidase inhibitor NN-acetyl-6-hydroxytryptophan oxidase inhibitors O-diphenol:O2 oxidoreductase inhibitor O-diphenol:O2 oxidoreductase inhibitors cresolase inhibitor cresolase inhibitors monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitor monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitors monophenol monooxidase inhibitor monophenol monooxidase inhibitors monophenol monooxygenase inhibitor monophenol monooxygenase inhibitors monophenol oxidase inhibitor monophenol oxidase inhibitors monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitor monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitors monophenolase inhibitor monophenolase inhibitors phenol oxidase inhibitor phenol oxidase inhibitors phenolase inhibitor phenolase inhibitors tyrosinase (EC 1.14.18.1) inhibitor tyrosinase (EC 1.14.18.1) inhibitors tyrosinase inhibitor tyrosinase inhibitors tyrosine-dopa oxidase inhibitor tyrosine-dopa oxidase inhibitors CHEBI:59997 EC 1.14.18.1 (tyrosinase) inhibitor EC 1.14.18.1 (tyrosinase) inhibitors ChEBI EC 1.14.18.1 inhibitor ChEBI EC 1.14.18.1 inhibitors ChEBI L-tyrosine,L-dopa:oxygen oxidoreductase inhibitor ChEBI L-tyrosine,L-dopa:oxygen oxidoreductase inhibitors ChEBI NN-acetyl-6-hydroxytryptophan oxidase inhibitor ChEBI NN-acetyl-6-hydroxytryptophan oxidase inhibitors ChEBI O-diphenol:O2 oxidoreductase inhibitor ChEBI O-diphenol:O2 oxidoreductase inhibitors ChEBI cresolase inhibitor ChEBI cresolase inhibitors ChEBI monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitor ChEBI monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitors ChEBI monophenol monooxidase inhibitor ChEBI monophenol monooxidase inhibitors ChEBI monophenol monooxygenase inhibitor ChEBI monophenol monooxygenase inhibitors ChEBI monophenol oxidase inhibitor ChEBI monophenol oxidase inhibitors ChEBI monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitor ChEBI monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitors ChEBI monophenolase inhibitor ChEBI monophenolase inhibitors ChEBI phenol oxidase inhibitor ChEBI phenol oxidase inhibitors ChEBI phenolase inhibitor ChEBI phenolase inhibitors ChEBI tyrosinase (EC 1.14.18.1) inhibitor ChEBI tyrosinase (EC 1.14.18.1) inhibitors ChEBI tyrosinase inhibitor ChEBI tyrosinase inhibitors ChEBI tyrosine-dopa oxidase inhibitor ChEBI tyrosine-dopa oxidase inhibitors ChEBI A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types. chebi_ontology Chemische Substanz CHEBI:59999 chemical substance Chemische Substanz ChEBI A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind. chebi_ontology Mischung CHEBI:60004 mixture Mischung ChEBI A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.. Wikipedia:Polymer Polymer chebi_ontology Kunststoff CHEBI:60027 polymer Polymer ChEBI Kunststoff ChEBI A homopolymer is a polymer composed of macromolecules, all of which are derived from one species of monomer. Homopolymer chebi_ontology CHEBI:60029 homopolymer Homopolymer ChEBI poly(alkylene) polymer envoPlastics polyethylene polymer The zwitterion formed from L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N 115.13050 115.06333 [O-]C(=O)[C@@H]1CCC[NH2+]1 CHEBI:58054 MetaCyc:PRO (2S)-pyrrolidinium-2-carboxylate chebi_ontology L-proline CHEBI:60039 L-proline zwitterion (2S)-pyrrolidinium-2-carboxylate IUPAC L-proline UniProt A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy. 0 C56H71N9O23S InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 PIEUQSKUWLMALL-YABMTYFHSA-N 1270.27400 1269.43835 CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O CHEBI:473847 CHEBI:530001 CHEBI:533643 CHEBI:533785 Beilstein:9610508 CAS:235114-32-6 DrugBank:DB01141 KEGG:D08218 PMID:17194830 PMID:17307974 PMID:17325217 PMID:17325225 PMID:17420211 PMID:17785512 5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-(3S,4S)-3-hydroxy-4-methyl-L-proline} chebi_ontology Mycamine micafungin CHEBI:600520 micafungin Beilstein:9610508 Beilstein CAS:235114-32-6 ChemIDplus CAS:235114-32-6 KEGG DRUG PMID:17194830 ChEMBL PMID:17307974 ChEMBL PMID:17325217 ChEMBL PMID:17325225 ChEMBL PMID:17420211 ChEMBL PMID:17785512 ChEMBL 5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate IUPAC 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-(3S,4S)-3-hydroxy-4-methyl-L-proline} IUPAC Mycamine ChemIDplus micafungin ChemIDplus micafungin KEGG_DRUG The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3. +1 C17H22NO4 InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-O 304.36090 304.15433 [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C Gmelin:2542129 Gmelin:341636 (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chebi_ontology cocaine cocaine cation CHEBI:60056 cocaine(1+) Gmelin:2542129 Gmelin Gmelin:2542129 Gmelin Gmelin:341636 Gmelin Gmelin:341636 Gmelin (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane IUPAC cocaine UniProt cocaine cation ChEBI 0 C3H2ClF5O InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H PIWKPBJCKXDKJR-UHFFFAOYSA-N 184.49210 183.97143 FC(F)OC(Cl)C(F)(F)F CAS:26675-46-7 DrugBank:DB00753 Drug_Central:1493 KEGG:C07518 KEGG:D00545 VSDB:1804 Wikipedia:Isoflurane 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane Isoflurane chebi_ontology 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether Aerrane Ethane Forane Forene isoflurane isoflurano isofluranum CHEBI:6015 isoflurane CAS:26675-46-7 ChemIDplus CAS:26675-46-7 KEGG COMPOUND CAS:26675-46-7 NIST Chemistry WebBook Drug_Central:1493 DrugCentral 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane IUPAC Isoflurane KEGG_COMPOUND 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether NIST_Chemistry_WebBook Aerrane DrugBank Ethane DrugBank Forane DrugBank Forene DrugBank isoflurane ChemIDplus isoflurano ChemIDplus isofluranum ChemIDplus An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Ca(2+)-transporting ATPase (EC 3.6.3.8). Wikipedia:Ca(2%2B)-transporting_atpase chebi_ontology ATP phosphohydrolase (Ca(2+)-transporting) inhibitor ATP phosphohydrolase (Ca(2+)-transporting) inhibitors Ca(2+)-pumping ATPase inhibitor Ca(2+)-pumping ATPase inhibitors Ca(2+)-transporting ATPase (EC 3.6.3.8) inhibitor Ca(2+)-transporting ATPase (EC 3.6.3.8) inhibitors Ca(2+)-transporting ATPase inhibitor Ca(2+)-transporting ATPase inhibitors EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitors SERCA inhibitor SERCA inhibitors calcium pump inhibitor calcium pump inhibitors plasma membrane Ca-ATPase inhibitor plasma membrane Ca-ATPase inhibitors sarco(endo)plasmic reticulum Ca(2+)-ATPase inhibitor sarco(endo)plasmic reticulum Ca(2+)-ATPase inhibitors sarcoplasmic reticulum ATPase inhibitor sarcoplasmic reticulum ATPase inhibitors CHEBI:60186 EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor ATP phosphohydrolase (Ca(2+)-transporting) inhibitor ChEBI ATP phosphohydrolase (Ca(2+)-transporting) inhibitors ChEBI Ca(2+)-pumping ATPase inhibitor ChEBI Ca(2+)-pumping ATPase inhibitors ChEBI Ca(2+)-transporting ATPase (EC 3.6.3.8) inhibitor ChEBI Ca(2+)-transporting ATPase (EC 3.6.3.8) inhibitors ChEBI Ca(2+)-transporting ATPase inhibitor ChEBI Ca(2+)-transporting ATPase inhibitors ChEBI EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitors ChEBI SERCA inhibitor ChEBI SERCA inhibitors ChEBI calcium pump inhibitor ChEBI calcium pump inhibitors ChEBI plasma membrane Ca-ATPase inhibitor ChEBI plasma membrane Ca-ATPase inhibitors ChEBI sarco(endo)plasmic reticulum Ca(2+)-ATPase inhibitor ChEBI sarco(endo)plasmic reticulum Ca(2+)-ATPase inhibitors ChEBI sarcoplasmic reticulum ATPase inhibitor ChEBI sarcoplasmic reticulum ATPase inhibitors ChEBI A metal cation with a valence of two. chebi_ontology a divalent metal cation CHEBI:60240 divalent metal cation a divalent metal cation UniProt An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one. chebi_ontology a monovalent cation CHEBI:60242 monovalent inorganic cation a monovalent cation UniProt A silver atom having a net electric charge. chebi_ontology CHEBI:60247 silver ion A nickel atom having a net electric charge. chebi_ontology CHEBI:60248 nickel ion A lead atom having a net electric charge. chebi_ontology CHEBI:60249 lead ion A selenium atom having a net electric charge. chebi_ontology CHEBI:60250 selenium ion R = C or H. The iminium ion resulting from the protonation of one of the imine nitrogens of guanidine or its derivatives. +1 CHN3R5 55.039 55.01705 C(=[N+]([H])*)(N(*)*)N(*)* chebi_ontology diaminomethaniminium ion diaminomethaniminium ions guanidinium ions CHEBI:60251 guanidinium ion diaminomethaniminium ion ChEBI diaminomethaniminium ions ChEBI guanidinium ions ChEBI A lead atom having a positive net electric charge. chebi_ontology CHEBI:60252 lead cation chebi_ontology CHEBI:60253 silver cation A hydrolase inhibitor that interferes with the action of any hydrolase acting on peptide bonds (peptidase), EC 3.4.*.*). CHEBI:76763 chebi_ontology EC 3.4.* (hydrolase acting on peptide bond) inhibitor EC 3.4.* (hydrolase acting on peptide bonds) inhibitors EC 3.4.* (hydrolases acting on peptide bond) inhibitors EC 3.4.* (peptidase) inhibitor EC 3.4.* (peptidase) inhibitors EC 3.4.* inhibitor EC 3.4.* inhibitors inhibitor of hydrolases acting on peptide bond (EC 3.4.*) inhibitors of hydrolases acting on peptide bond (EC 3.4.*) peptidase inhibitors protease inhibitor protease inhibitors CHEBI:60258 EC 3.4.* (hydrolases acting on peptide bond) inhibitor EC 3.4.* (hydrolase acting on peptide bond) inhibitor ChEBI EC 3.4.* (hydrolase acting on peptide bonds) inhibitors ChEBI EC 3.4.* (hydrolases acting on peptide bond) inhibitors ChEBI EC 3.4.* (peptidase) inhibitor ChEBI EC 3.4.* (peptidase) inhibitors ChEBI EC 3.4.* inhibitor ChEBI EC 3.4.* inhibitors ChEBI inhibitor of hydrolases acting on peptide bond (EC 3.4.*) ChEBI inhibitors of hydrolases acting on peptide bond (EC 3.4.*) ChEBI peptidase inhibitors ChEBI protease inhibitor ChEBI protease inhibitors ChEBI A tellurium atom having a net electric charge. 0 Te 127.603 129.90622 chebi_ontology CHEBI:60271 tellurium ion An aluminium atom having a net electric charge. chebi_ontology aluminum ion CHEBI:60272 aluminium ion aluminum ion ChEBI The alpha-amino-acid anion resulting from the removal of the proton from the carboxylic acid group of L-thyroxine. -1 C15H10I4NO4 InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/p-1/t12-/m0/s1 XUIIKFGFIJCVMT-LBPRGKRZSA-M 775.86210 775.67941 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O PMID:17634708 (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate chebi_ontology (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propionate L-thyroxine anion levothyroxine anion levothyroxine(1-) CHEBI:60302 L-thyroxine(1-) PMID:17634708 Europe PMC (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate IUPAC (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propionate ChEBI L-thyroxine anion ChEBI levothyroxine anion ChEBI levothyroxine(1-) ChEBI Any hormone produced by the thyroid gland chebi_ontology thyroid hormones CHEBI:60311 thyroid hormone thyroid hormones ChEBI The oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb. 0 C5H11NOS InChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3 ZFGMCJAXIZTVJA-UHFFFAOYSA-N 133.21200 133.05614 [H]C(=NO)C(C)(C)SC Beilstein:2038299 CAS:1646-75-9 Patent:US3217037 Reaxys:2038299 2-methyl-2-(methylsulfanyl)propanal oxime N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine chebi_ontology 2-(methylthio)-2-methylpropionaldehyde oxime 2-(methylthio)isobutyraldehyde oxime 2-methyl-2-(methylsulfanyl)propanaldoxime 2-methyl-2-(methylthio)propanal oxime 2-methyl-2-(methylthio)propionaldehyde oxime 2-methyl-2-(methylthio)propionaldoxime ADO Temik oxime aldicarb oxime CHEBI:60330 2-methyl-2-(methylsulfanyl)propanal oxime Beilstein:2038299 Beilstein CAS:1646-75-9 ChemIDplus Reaxys:2038299 Reaxys 2-methyl-2-(methylsulfanyl)propanal oxime UniProt N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine IUPAC 2-(methylthio)-2-methylpropionaldehyde oxime ChemIDplus 2-(methylthio)isobutyraldehyde oxime ChemIDplus 2-methyl-2-(methylsulfanyl)propanaldoxime ChEBI 2-methyl-2-(methylthio)propanal oxime ChemIDplus 2-methyl-2-(methylthio)propionaldehyde oxime ChemIDplus 2-methyl-2-(methylthio)propionaldoxime ChemIDplus ADO ChEBI Temik oxime ChemIDplus aldicarb oxime ChemIDplus An anion formed by deprotonation of at least one peptide carboxy group. chebi_ontology peptide anions CHEBI:60334 peptide anion peptide anions ChEBI Zwitterionic form of any peptide where, in general, the amino terminus is positively charged and the carboxy terminus is negatively charged. 0 C2H4NO2R(C2H2NOR)n chebi_ontology a peptide peptide zwitterions CHEBI:60466 peptide zwitterion a peptide UniProt peptide zwitterions ChEBI A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale. 0 C12H18O4S2 InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3 UFHLMYOGRXOCSL-UHFFFAOYSA-N 290.40092 290.06465 CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1 Beilstein:2128528 CAS:50512-35-1 HMDB:HMDB0031779 KEGG:C11111 PMID:19757109 PMID:23500396 PMID:23537300 PMID:24617140 PMID:2927019 PPDB:408 Pesticides:isoprothiolane Reaxys:2128528 Isoprothiolane di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate chebi_ontology bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate di-isopropyl 1,3-dithiolane-2-ylidenemalonate diisopropyl 1,3-dithiolan-2-ylidenemalonate diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate CHEBI:6047 isoprothiolane Beilstein:2128528 ChemIDplus CAS:50512-35-1 ChemIDplus CAS:50512-35-1 KEGG COMPOUND CAS:50512-35-1 NIST Chemistry WebBook PMID:19757109 Europe PMC PMID:23500396 Europe PMC PMID:23537300 Europe PMC PMID:24617140 Europe PMC PMID:2927019 Europe PMC Pesticides:isoprothiolane Alan Wood's Pesticides Reaxys:2128528 Reaxys Isoprothiolane KEGG_COMPOUND di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate IUPAC bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate ChemIDplus di-isopropyl 1,3-dithiolane-2-ylidenemalonate NIST_Chemistry_WebBook diisopropyl 1,3-dithiolan-2-ylidenemalonate IUPAC diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate NIST_Chemistry_WebBook A member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties. 0 C12H18N2O InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N 206.28410 206.14191 CC(C)c1ccc(NC(=O)N(C)C)cc1 CAS:34123-59-6 KEGG:C11005 MetaCyc:CPD-23253 PMCID:PMC5010538 PMID:22231370 PMID:23131497 PMID:24059976 PMID:24873700 PMID:24974118 PMID:25128892 PMID:25464323 PMID:26366929 PMID:27317932 PMID:27499219 PMID:27737542 PMID:27817898 PPDB:409 Pesticides:isoproturon Reaxys:2214033 1,1-dimethyl-3-[4-(propan-2-yl)phenyl]urea isoproturon chebi_ontology 1,1-dimethyl-3-(p-isopropylphenyl)-urea 3-p-cumenyl-1,1-dimethylurea N-4-isopropylphenyl-N,N-dimethylurea CHEBI:6049 isoproturon CAS:34123-59-6 ChemIDplus CAS:34123-59-6 KEGG COMPOUND CAS:34123-59-6 NIST Chemistry WebBook PMCID:PMC5010538 Europe PMC PMID:22231370 Europe PMC PMID:23131497 Europe PMC PMID:24059976 Europe PMC PMID:24873700 Europe PMC PMID:24974118 Europe PMC PMID:25128892 Europe PMC PMID:25464323 Europe PMC PMID:26366929 Europe PMC PMID:27317932 Europe PMC PMID:27499219 Europe PMC PMID:27737542 Europe PMC PMID:27817898 Europe PMC Pesticides:isoproturon Alan Wood's Pesticides Reaxys:2214033 Reaxys 1,1-dimethyl-3-[4-(propan-2-yl)phenyl]urea IUPAC isoproturon UniProt 1,1-dimethyl-3-(p-isopropylphenyl)-urea NIST_Chemistry_WebBook 3-p-cumenyl-1,1-dimethylurea Alan_Wood's_Pesticides N-4-isopropylphenyl-N,N-dimethylurea NIST_Chemistry_WebBook A homopolymer composed of poly(chloroprene) macromolecules. chebi_ontology 1,4-cis-Poly(chloropene) 2-Chloro-1,3-butadiene polymer Poly(2-chloro-1,3-butadiene) Poly(2-chlorobutadiene) neoprene poly(chloroprene) polychloroprene trans-1,4-Polychloroprene CHEBI:60505 poly(chloroprene) polymer 1,4-cis-Poly(chloropene) ChEBI 2-Chloro-1,3-butadiene polymer ChEBI Poly(2-chloro-1,3-butadiene) ChEBI Poly(2-chlorobutadiene) ChEBI neoprene ChEBI poly(chloroprene) ChEBI polychloroprene ChEBI trans-1,4-Polychloroprene ChEBI Any cation arising from protonation of at least one of the amino functions in an indole alkaloid. chebi_ontology indole alkaloid cations CHEBI:60521 indole alkaloid cation indole alkaloid cations ChEBI Flavin protonated to pH 7.3 -1 C12H8N4O2R 240.21750 240.06473 Cc1cc2nc3c(nc(=O)[n-]c3=O)n([*])c2cc1C chebi_ontology an oxidized flavin CHEBI:60531 flavin(1-) an oxidized flavin UniProt 0 C10H10O2 InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+ VHVOLFRBFDOUSH-NSCUHMNNSA-N 162.186 162.06808 C\C=C\c1ccc2OCOc2c1 CAS:120-58-1 KEGG:C10472 KNApSAcK:C00002753 Isosafrole chebi_ontology CHEBI:6054 Isosafrole CAS:120-58-1 KEGG COMPOUND Isosafrole KEGG_COMPOUND Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group. Wikipedia:Phenoxy_herbicide chebi_ontology phenoxy herbicides CHEBI:60575 phenoxy herbicide phenoxy herbicides ChEBI Any agent that acts on an opioid receptor or affects the life cycle of an opioid transmitter. chebi_ontology opioid agents CHEBI:60598 opioid agent opioid agents ChEBI Any agent that acts on a mu-opioid receptor. chebi_ontology mu-opioid agents CHEBI:60599 mu-opioid agent mu-opioid agents ChEBI Compounds that contain an amide group as a key feature of their structure and which have been used as fungicides. chebi_ontology amide fungicides CHEBI:60600 amide fungicide amide fungicides ChEBI Any agent that acts on a delta-opioid receptor. chebi_ontology delta-opioid agents CHEBI:60601 delta-opioid agent delta-opioid agents ChEBI Any agent that acts on a kappa-opioid receptor. chebi_ontology kappa-opioid agents CHEBI:60603 kappa-opioid agent kappa-opioid agents ChEBI An agent that binds to but does not activate an opioid receptor thereby blocking the actions of endogenous or exogenous opioid receptor agonists. Wikipedia:Opioid_antagonist chebi_ontology opiate antagonist opiate antagonists opioid antagonist opioid antagonists opioid receptor antagonists CHEBI:60605 opioid receptor antagonist opiate antagonist ChEBI opiate antagonists ChEBI opioid antagonist ChEBI opioid antagonists ChEBI opioid receptor antagonists ChEBI An agent that selectively binds to and activates an opioid receptor. chebi_ontology opiate agonist opiate agonists opioid agonist opioid agonists opioid receptor agonists CHEBI:60606 opioid receptor agonist opiate agonist ChEBI opiate agonists ChEBI opioid agonist ChEBI opioid agonists ChEBI opioid receptor agonists ChEBI A methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate that is the more active R-enantiomer of metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops. 0 C15H21NO4 InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1 ZQEIXNIJLIKNTD-GFCCVEGCSA-N 279.33150 279.14706 COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C AGR:IND44452872 CAS:70630-17-0 KEGG:C18626 PMID:19809773 PMID:20582630 PMID:21174493 PMID:21272886 PMID:21315406 PMID:21322247 PMID:21712597 PPDB:445 Patent:WO2011012493 Pesticides:metalaxyl-m Reaxys:5081553 methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alaninate chebi_ontology (-)-metalaxyl (R)-N-(2,6-dimethylphenyl)-N-(methoxyacetylamino)propionic acid methyl ester (R)-metalaxyl R-metalaxyl mefenoxam methyl (R)-2-{[(2,6-dimethylphenyl)methoxyacetyl]amino} propionate methyl (R)-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate methyl N-(methoxyacetyl)-N-(2,6-xylyl)-D-alaninate CHEBI:60607 metalaxyl-M AGR:IND44452872 Europe PMC CAS:70630-17-0 ChemIDplus CAS:70630-17-0 KEGG COMPOUND PMID:19809773 Europe PMC PMID:20582630 Europe PMC PMID:21174493 Europe PMC PMID:21272886 Europe PMC PMID:21315406 Europe PMC PMID:21322247 Europe PMC PMID:21712597 Europe PMC Pesticides:metalaxyl-m Alan Wood's Pesticides Reaxys:5081553 Reaxys methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alaninate IUPAC (-)-metalaxyl ChemIDplus (R)-N-(2,6-dimethylphenyl)-N-(methoxyacetylamino)propionic acid methyl ester ChEBI (R)-metalaxyl ChEBI R-metalaxyl ChEBI mefenoxam ChemIDplus methyl (R)-2-{[(2,6-dimethylphenyl)methoxyacetyl]amino} propionate ChEBI methyl (R)-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate ChEBI methyl N-(methoxyacetyl)-N-(2,6-xylyl)-D-alaninate ChemIDplus Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs. CHEBI:60797 chebi_ontology N-methyl-D-aspartate receptor antagonist N-methyl-D-aspartate receptor antagonists NMDA receptor antagonists NMDAR antagonist NMDAR antagonists CHEBI:60643 NMDA receptor antagonist N-methyl-D-aspartate receptor antagonist ChEBI N-methyl-D-aspartate receptor antagonists ChEBI NMDA receptor antagonists ChEBI NMDAR antagonist ChEBI NMDAR antagonists ChEBI Any organic aromatic compound containing two phenyl (or substituted phenyl) groups attached to a single carbon or heteroatom and which has significant antifungal properties. chebi_ontology bridged diphenyl antifungal agents CHEBI:60644 bridged diphenyl antifungal agent bridged diphenyl antifungal agents ChEBI A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. 0 C20H28O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- SHGAZHPCJJPHSC-XFYACQKRSA-N 300.43512 300.20893 CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O Beilstein:1885770 CAS:4759-48-2 DrugBank:DB00982 Drug_Central:1508 HMDB:HMDB0006219 KEGG:D00348 LIPID_MAPS_instance:LMPR01090021 PMID:11606947 PMID:11866680 PMID:15304471 PMID:18077132 PMID:18788179 PMID:19568610 PMID:20482692 PMID:23676507 PMID:9807973 Patent:EP111325 Patent:US4556518 Reaxys:1885770 Wikipedia:Isotretinoin (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid chebi_ontology (7E,9E,11E,13Z)-retinoic acid 13-RA 13-cis-Vitamin A acid 13-cis-retinoic acid Accutane Amnesteem Claravis Neovitamin A acid cis-RA isotretinoin isotretinoina isotretinoine isotretinoino isotretinoinum CHEBI:6067 isotretinoin Beilstein:1885770 Beilstein CAS:4759-48-2 ChemIDplus Drug_Central:1508 DrugCentral LIPID_MAPS_instance:LMPR01090021 LIPID MAPS PMID:11606947 Europe PMC PMID:11866680 Europe PMC PMID:15304471 Europe PMC PMID:18077132 Europe PMC PMID:18788179 Europe PMC PMID:19568610 Europe PMC PMID:20482692 Europe PMC PMID:23676507 Europe PMC PMID:9807973 Europe PMC Reaxys:1885770 Reaxys (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid IUPAC (7E,9E,11E,13Z)-retinoic acid JCBN 13-RA ChemIDplus 13-cis-Vitamin A acid ChemIDplus 13-cis-retinoic acid JCBN Accutane DrugBank Amnesteem DrugBank Claravis DrugBank Neovitamin A acid ChemIDplus cis-RA ChEBI isotretinoin ChemIDplus isotretinoina WHO_MedNet isotretinoine WHO_MedNet isotretinoino ChemIDplus isotretinoinum ChemIDplus An inorganic sodium salt having silicate as the counterion. 0 Na2O3Si InChI=1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2 NTHWMYGWWRZVTN-UHFFFAOYSA-N 122.06320 121.94121 [Na+].[Na+].[O-][Si]([O-])=O CAS:1344-09-8 PMID:8991630 Reaxys:11343143 Wikipedia:Sodium_silicate disodium oxosilanediolate chebi_ontology Sodium polysilicate Sodium sesquisilicate Sodium silicate glass Sodium siliconate sodium metasilicate CHEBI:60720 sodium silicate CAS:1344-09-8 ChemIDplus PMID:8991630 Europe PMC Reaxys:11343143 Reaxys disodium oxosilanediolate IUPAC Sodium polysilicate ChemIDplus Sodium sesquisilicate ChemIDplus Sodium silicate glass ChemIDplus Sodium siliconate ChemIDplus sodium metasilicate ChEBI envoPlastics polyurethane polymer A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. 0 C9H11FN2O5 InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 ODKNJVUHOIMIIZ-RRKCRQDMSA-N 246.19240 246.06520 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O CAS:50-91-9 DrugBank:DB00322 Drug_Central:1184 HMDB:HMDB0014467 KEGG:C11736 KEGG:D04197 LINCS:LSM-5588 PMID:12520460 PMID:19744858 PMID:19917528 PMID:20218622 PMID:20363130 PMID:20391188 PMID:28166217 PMID:29438107 PMID:3950402 Reaxys:90221 Wikipedia:Floxuridine 5-fluoro-2'-deoxyuridine Floxuridine chebi_ontology 1-(2-Deoxy-beta-D-ribofuranosyl)-5-fluorouracil 1-beta-D-2'-Deoxyribofuranosyl-5-flurouracil 1beta-D-2'-Deoxyribofuranosyl-5-flurouracil 2'-Deoxy-5-fluorouridine 5-Fluoro-2-desoxyuridine 5-Fluorodeoxyuridine 5-Fluorouracil 2'-deoxyriboside 5-Fluorouracil deoxyriboside 5-fluoro-2'-deoxyuridine 5FDU Deoxyfluorouridine FdU Floxuridin Fluorodeoxyuridine Fluoruridine Deoxyribose Fluoruridine deoxyribose beta-5-Fluoro-2'-deoxyuridine floxiridina floxuridine floxuridinum CHEBI:60761 floxuridine CAS:50-91-9 ChemIDplus CAS:50-91-9 KEGG COMPOUND CAS:50-91-9 KEGG DRUG CAS:50-91-9 NIST Chemistry WebBook Drug_Central:1184 DrugCentral PMID:12520460 Europe PMC PMID:19744858 Europe PMC PMID:19917528 Europe PMC PMID:20218622 Europe PMC PMID:20363130 Europe PMC PMID:20391188 Europe PMC PMID:28166217 Europe PMC PMID:29438107 Europe PMC PMID:3950402 Europe PMC Reaxys:90221 Reaxys 5-fluoro-2'-deoxyuridine IUPAC Floxuridine KEGG_COMPOUND 1-(2-Deoxy-beta-D-ribofuranosyl)-5-fluorouracil ChemIDplus 1-beta-D-2'-Deoxyribofuranosyl-5-flurouracil ChemIDplus 1beta-D-2'-Deoxyribofuranosyl-5-flurouracil ChemIDplus 2'-Deoxy-5-fluorouridine ChemIDplus 5-Fluoro-2-desoxyuridine ChemIDplus 5-Fluorodeoxyuridine KEGG_COMPOUND 5-Fluorouracil 2'-deoxyriboside ChemIDplus 5-Fluorouracil deoxyriboside NIST_Chemistry_WebBook 5-fluoro-2'-deoxyuridine ChEBI 5FDU DrugBank Deoxyfluorouridine DrugBank FdU ChEBI Floxuridin ChemIDplus Fluorodeoxyuridine DrugBank Fluoruridine Deoxyribose DrugBank Fluoruridine deoxyribose ChemIDplus beta-5-Fluoro-2'-deoxyuridine ChemIDplus floxiridina DrugBank floxuridine KEGG_DRUG floxuridinum DrugBank An analogue of a nucleoside, being an N-glycosyl compound in which the nitrogen-containing moiety is a modified nucleotide base. They are commonly used as antiviral products to prevent viral replication in infected cells. chebi_ontology nucleoside analogues CHEBI:60783 nucleoside analogue nucleoside analogues ChEBI Any substance which inhibits the action of receptors for excitatory amino acids. chebi_ontology EAA receptor antagonist EAA receptor antagonists excitatory amino acid antagonists excitatory amino acid receptor antagonist excitatory amino acid receptor antagonists CHEBI:60798 excitatory amino acid antagonist EAA receptor antagonist ChEBI EAA receptor antagonists ChEBI excitatory amino acid antagonists ChEBI excitatory amino acid receptor antagonist ChEBI excitatory amino acid receptor antagonists ChEBI The S- (more active) enantiomer of ketamine. 0 C13H16ClNO InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1 YQEZLKZALYSWHR-ZDUSSCGKSA-N 237.72500 237.09204 CN[C@@]1(CCCCC1=O)c1ccccc1Cl CAS:33643-46-8 DrugBank:DB01221 Drug_Central:4468 KEGG:D07283 Reaxys:4295313 (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone chebi_ontology (-)-ketamine (S)-(-)-ketamine (S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone (S)-ketamine esketamine CHEBI:60799 esketamine CAS:33643-46-8 ChemIDplus CAS:33643-46-8 KEGG DRUG Drug_Central:4468 DrugCentral Reaxys:4295313 Reaxys (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone IUPAC (-)-ketamine ChemIDplus (S)-(-)-ketamine ChemIDplus (S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone ChemIDplus (S)-ketamine ChemIDplus esketamine ChemIDplus A polymer, composed of copolymer macromolecules. chebi_ontology co-polymer co-polymers copolymers CHEBI:60804 copolymer co-polymer ChEBI co-polymers ChEBI copolymers ChEBI Any substance that possesses little anaesthetic effect by itself, but which enhances or potentiates the anaesthetic action of other drugs when given at the same time. chebi_ontology anaesthesia adjuvants anaesthestic adjuvant anaesthestic adjuvants CHEBI:60807 anaesthesia adjuvant anaesthesia adjuvants ChEBI anaesthestic adjuvant ChEBI anaesthestic adjuvants ChEBI Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself. chebi_ontology adjuvants CHEBI:60809 adjuvant adjuvants ChEBI Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules. chebi_ontology tubulin modulators CHEBI:60832 tubulin modulator tubulin modulators ChEBI An amino acid containing one or more nitrogen atoms connected through carbon atoms to one or more carboxy groups. Wikipedia:Aminopolycarboxylic_acid chebi_ontology aminopolycarboxylic acid aminopolycarboxylic acids complexone complexones polyamino carboxylic acids CHEBI:60892 polyamino carboxylic acid aminopolycarboxylic acid ChEBI aminopolycarboxylic acids ChEBI complexone ChEBI complexones ChEBI polyamino carboxylic acids ChEBI Any alpha-amino acid anion in which the parent amino acid has D-configuration. -1 C2H3NO2R 73.051 73.01638 [C@@H](C(=O)[O-])(N)* chebi_ontology D-alpha-amino acid anions D-alpha-amino carboxylate CHEBI:60895 D-alpha-amino acid anion D-alpha-amino acid anions ChEBI D-alpha-amino carboxylate ChEBI A racemate is an equimolar mixture of a pair of enantiomers. chebi_ontology melange racemique racemates racemic mixture CHEBI:60911 racemate melange racemique ChEBI racemates ChEBI racemic mixture ChEBI A mixture composed of two or more diastereoisomers (stereoisomers not related as mirror images). chebi_ontology diastereomeric mixture CHEBI:60915 diastereoisomeric mixture diastereomeric mixture ChEBI Any amino sugar that is a monosaccharide in which one alcoholic hydroxy group is replaced by an amino group. chebi_ontology amino monosaccharides CHEBI:60926 amino monosaccharide amino monosaccharides ChEBI An arylalkylamine in which the aryl group is phenyl. phenylalkylamine chebi_ontology N-alkylaniline N-alkylanilines N-alkylphenylamine N-alkylphenylamines N-phenylalkylamine N-phenylalkylamines alkylphenylamine alkylphenylamines phenylalkylamines CHEBI:60977 phenylalkylamine phenylalkylamine ChEBI N-alkylaniline ChEBI N-alkylanilines ChEBI N-alkylphenylamine ChEBI N-alkylphenylamines ChEBI N-phenylalkylamine ChEBI N-phenylalkylamines ChEBI alkylphenylamine ChEBI alkylphenylamines ChEBI phenylalkylamines ChEBI A glucoside in which the anomeric carbon of the glycosidic bond is in a beta configuration chebi_ontology beta-glucosides CHEBI:60980 beta-glucoside beta-glucosides ChEBI A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic. 0 C5H12N4O3 InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 FSBIGDSBMBYOPN-VKHMYHEASA-N 176.17380 176.09094 N[C@@H](CCONC(N)=N)C(O)=O CHEBI:3345 CHEBI:42902 CHEBI:616834 CAS:543-38-4 HMDB:HMDB0002706 KEGG:C00308 KNApSAcK:C00001347 MetaCyc:CANAVANINE PDBeChem:GGB PMID:22279227 PMID:23671680 Reaxys:1726113 Wikipedia:Canavanine L-CANAVANINE L-Canavanine O-carbamimidamido-L-homoserine chebi_ontology 2-Amino-4-(guanidinooxy)butyric acid Canavanine O-((Aminoiminomethyl)amino)-L-homoserine CHEBI:609827 L-canavanine CAS:543-38-4 ChemIDplus CAS:543-38-4 KEGG COMPOUND PMID:22279227 Europe PMC PMID:23671680 Europe PMC Reaxys:1726113 Reaxys L-CANAVANINE PDBeChem L-Canavanine KEGG_COMPOUND O-carbamimidamido-L-homoserine IUPAC 2-Amino-4-(guanidinooxy)butyric acid ChemIDplus Canavanine KEGG_COMPOUND O-((Aminoiminomethyl)amino)-L-homoserine ChemIDplus A poison that interferes with the function of the kidneys. chebi_ontology nephrotoxins CHEBI:61015 nephrotoxin nephrotoxins ChEBI A hormone antagonist that blocks angiotensin receptors. chebi_ontology angiotensin receptor antagonists CHEBI:61016 angiotensin receptor antagonist angiotensin receptor antagonists ChEBI A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. 0 C44H69NO12 InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 QJJXYPPXXYFBGM-LFZNUXCKSA-N 804.01820 803.48198 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC)[C@H](C[C@H]2C)OC CHEBI:42555 CHEBI:4958 CAS:104987-11-3 DrugBank:DB00864 KEGG:C01375 KEGG:D08556 LIPID_MAPS_instance:LMPK04000003 PDBeChem:FK5 Patent:EP184162 Patent:US5665727 Reaxys:3647477 Reaxys:8821611 (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone chebi_ontology (-)-FK 506 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN FK 506 FK506 Prograf Tacrolimus tacrolimus tacrolimus anhydrous CHEBI:61049 tacrolimus (anhydrous) CAS:104987-11-3 ChemIDplus CAS:104987-11-3 KEGG COMPOUND CAS:104987-11-3 KEGG DRUG LIPID_MAPS_instance:LMPK04000003 LIPID MAPS Reaxys:3647477 Reaxys Reaxys:8821611 Reaxys (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone IUPAC (-)-FK 506 ChemIDplus 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN PDBeChem FK 506 KEGG_COMPOUND FK506 KEGG_COMPOUND Prograf ChEBI Tacrolimus KEGG_COMPOUND tacrolimus ChemIDplus tacrolimus KEGG_DRUG tacrolimus anhydrous ChemIDplus A peroxol R-OOH where the substituent R is an alkyl group. chebi_ontology CHEBI:61050 alkyl hydroperoxide Any lipid carrying one or more hydroperoxy substituents. 0 HO2R 33.00670 32.99765 OO[*] KEGG:C01025 chebi_ontology a lipid hydroperoxide lipid hydroperoxides CHEBI:61051 lipid hydroperoxide a lipid hydroperoxide UniProt lipid hydroperoxides ChEBI A hydrate that is the monohydrate form of tacrolimus. 0 C44H71NO13 InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1 NWJQLQGQZSIBAF-MLAUYUEBSA-N 822.03340 821.49254 O.CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC)[C@H](C[C@H]2C)OC CAS:109581-93-3 DrugBank:DB00864 KEGG:D00107 Reaxys:6265275 (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone--water (1/1) chebi_ontology (-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate Prograf Protopic tacrolimus tacrolimus monohydrate tsukubaenolide hydrate CHEBI:61057 tacrolimus hydrate CAS:109581-93-3 ChemIDplus CAS:109581-93-3 KEGG DRUG Reaxys:6265275 Reaxys (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone--water (1/1) IUPAC (-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate ChemIDplus Prograf KEGG_DRUG Protopic KEGG_DRUG tacrolimus ChemIDplus tacrolimus monohydrate ChEBI tsukubaenolide hydrate ChemIDplus An inorganic radical in which a free electron resides on one or more oxygen atoms of an oxygen species. chebi_ontology oxygen radicals CHEBI:61073 oxygen radical oxygen radicals ChEBI An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). Wikipedia:Histone_deacetylase_inhibitor chebi_ontology EC 3.5.1.98 (histone deacetylase) inhibitors EC 3.5.1.98 inhibitor EC 3.5.1.98 inhibitors HDAC inhibitor HDAC inhibitors HDACi HDACis HDI HDIs histone amidohydrolase inhibitor histone amidohydrolase inhibitors histone deacetylase (EC 3.5.1.98) inhibitor histone deacetylase (EC 3.5.1.98) inhibitors histone deacetylase inhibitor histone deacetylase inhibitors CHEBI:61115 EC 3.5.1.98 (histone deacetylase) inhibitor EC 3.5.1.98 (histone deacetylase) inhibitors ChEBI EC 3.5.1.98 inhibitor ChEBI EC 3.5.1.98 inhibitors ChEBI HDAC inhibitor ChEBI HDAC inhibitors ChEBI HDACi ChEBI HDACis ChEBI HDI ChEBI HDIs ChEBI histone amidohydrolase inhibitor ChEBI histone amidohydrolase inhibitors ChEBI histone deacetylase (EC 3.5.1.98) inhibitor ChEBI histone deacetylase (EC 3.5.1.98) inhibitors ChEBI histone deacetylase inhibitor ChEBI histone deacetylase inhibitors ChEBI Any compound that has a nucleobase as a part. chebi_ontology nucleobase-containing compound nucleobase-containing compounds nucleobase-containing molecular entities CHEBI:61120 nucleobase-containing molecular entity nucleobase-containing compound SUBMITTER nucleobase-containing compounds ChEBI nucleobase-containing molecular entities ChEBI An ammonium ion obtained by protonation of the tertiary amino group of metoclopramide. +1 C14H23ClN3O2 InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1 TTWJBBZEZQICBI-UHFFFAOYSA-O 300.80400 300.14733 CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium chebi_ontology CHEBI:61170 metoclopramide(1+) 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium IUPAC An ammonium ion that is obtained by protonation of both the tertiary amino group and the anilino nitrogen of metoclopramide. +2 C14H24ClN3O2 InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+2 TTWJBBZEZQICBI-UHFFFAOYSA-P 301.81200 301.15461 CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC 2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium chebi_ontology CHEBI:61172 metoclopramide(2+) 2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium IUPAC A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. 0 C13H16ClNO InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 YQEZLKZALYSWHR-UHFFFAOYSA-N 237.72500 237.09204 CNC1(CCCCC1=O)c1ccccc1Cl CHEBI:138833 CAS:100477-72-3 CAS:6740-88-1 DrugBank:DB01221 Drug_Central:1523 HMDB:HMDB0015352 KEGG:C07525 KEGG:D08098 PMID:3783598 Patent:BE634208 Patent:US3254124 Reaxys:2216965 VSDB:2978 Wikipedia:Ketamine 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone KETAMINE Ketamine chebi_ontology (+-)-ketamine 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone 2-(methylamino)-2-(2-chlorophenyl)cyclohexanone 2-(o-chlorophenyl)-2-(methylamino)-cyclohexanone DL-ketamine NMDA dl-ketamine ketamina ketamine ketaminum special K CHEBI:6121 ketamine CAS:100477-72-3 NIST Chemistry WebBook CAS:6740-88-1 ChemIDplus CAS:6740-88-1 KEGG COMPOUND Drug_Central:1523 DrugCentral PMID:3783598 ChEMBL Reaxys:2216965 Reaxys 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone IUPAC KETAMINE ChEMBL Ketamine KEGG_COMPOUND (+-)-ketamine ChemIDplus 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone ChEMBL 2-(methylamino)-2-(2-chlorophenyl)cyclohexanone ChemIDplus 2-(o-chlorophenyl)-2-(methylamino)-cyclohexanone ChemIDplus DL-ketamine ChEBI NMDA ChEBI dl-ketamine ChemIDplus ketamina WHO_MedNet ketamine ChemIDplus ketamine WHO_MedNet ketaminum ChemIDplus special K ChemIDplus An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. 0 C16H14O3 InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N 254.28056 254.09429 CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 CAS:22071-15-4 DrugBank:DB01009 Drug_Central:1528 HMDB:HMDB0015144 KEGG:C01716 KEGG:D00132 LINCS:LSM-1955 PMID:11452775 PMID:12772856 PMID:18969772 Reaxys:2216071 Wikipedia:Ketoprofen 2-(3-benzoylphenyl)propanoic acid Ketoprofen chebi_ontology 2-(3-Benzoylphenyl)propionic acid 3-Benzoyl-alpha-methylbenzeneacetic acid 3-Benzoylhydratropic acid L'Acide (benzoyl-3-phenyl)-2-propionique Orudis (TN) m-Benzoylhydratropic acid CHEBI:6128 ketoprofen CAS:22071-15-4 ChemIDplus CAS:22071-15-4 KEGG COMPOUND CAS:22071-15-4 NIST Chemistry WebBook Drug_Central:1528 DrugCentral PMID:11452775 Europe PMC PMID:12772856 Europe PMC PMID:18969772 Europe PMC Reaxys:2216071 Reaxys 2-(3-benzoylphenyl)propanoic acid IUPAC Ketoprofen KEGG_COMPOUND 2-(3-Benzoylphenyl)propionic acid ChemIDplus 3-Benzoyl-alpha-methylbenzeneacetic acid NIST_Chemistry_WebBook 3-Benzoylhydratropic acid ChemIDplus L'Acide (benzoyl-3-phenyl)-2-propionique NIST_Chemistry_WebBook Orudis (TN) KEGG_DRUG m-Benzoylhydratropic acid ChemIDplus A nucleotide having guanine as the base. chebi_ontology guanine nucleotide CHEBI:61292 guanyl nucleotide guanine nucleotide SUBMITTER A nucleotide having adenine as the base. chebi_ontology adenine nucleotide CHEBI:61293 adenyl nucleotide adenine nucleotide SUBMITTER A purine ribonucleotide where the purine is guanine. chebi_ontology guanine ribonucleotide CHEBI:61295 guanyl ribonucleotide guanine ribonucleotide SUBMITTER A purine riboncleotide where adenine is the purine. chebi_ontology adenine ribonucleotide CHEBI:61296 adenyl ribonucleotide adenine ribonucleotide SUBMITTER A steroid that has a structure based on a 21-carbon (pregnane) skeleton. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure. 0 C21H36 InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3 JWMFYGXQPXQEEM-UHFFFAOYSA-N 288.511 288.28170 C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CC)C)C chebi_ontology a C21-steroid CHEBI:61313 C21-steroid a C21-steroid UniProt A dicarboxylate that contains four carbon atoms. -2 C2O4R 88.019 87.97966 [O-]C(=O)[*]C([O-])=O chebi_ontology CHEBI:61336 C4-dicarboxylate Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group. chebi_ontology 3-hydroxy carboxylic acids 3-hydroxycarboxylic acid 3-hydroxycarboxylic acids beta-hydroxy carboxylic acid beta-hydroxy carboxylic acids beta-hydroxycarboxylic acid beta-hydroxycarboxylic acids CHEBI:61355 3-hydroxy carboxylic acid 3-hydroxy carboxylic acids ChEBI 3-hydroxycarboxylic acid ChEBI 3-hydroxycarboxylic acids ChEBI beta-hydroxy carboxylic acid ChEBI beta-hydroxy carboxylic acids ChEBI beta-hydroxycarboxylic acid ChEBI beta-hydroxycarboxylic acids ChEBI A polymer, composed of polyimide macromolecules. chebi_ontology PI poly(imide) poly(imide)s polyimide polyimides CHEBI:61484 polyimide polymer PI ChEBI poly(imide) ChEBI poly(imide)s ChEBI polyimide ChEBI polyimides ChEBI A thiolate anion resulting from the removal of a proton from one of the nitrogens of thiopental and tautomerisation. -1 C11H17N2O2S InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/p-1 IUJDSEJGGMCXSG-UHFFFAOYSA-M 241.33000 241.10162 CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O 5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate chebi_ontology pentothiobarbital(1-) thiopentobarbitone(1-) thiopentone(1-) CHEBI:61485 thiopental(1-) 5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate IUPAC pentothiobarbital(1-) ChEBI thiopentobarbitone(1-) ChEBI thiopentone(1-) ChEBI A ribonucleoside triphosphate oxoanion arising from global deprotonation of the triphosphate groups of any nucleoside triphosphate; major species at pH 7.3. -4 C5H8O13P3R 369.031 368.91778 [C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)([O-])[O-])(=O)[O-])(=O)[O-] chebi_ontology NTP tetraanion NTP(4-) a ribonucleoside 5'-triphosphate nucleoside 5'-triphosphate tetraanion nucleoside triphosphate(4-) CHEBI:61557 nucleoside 5'-triphoshate(4-) NTP tetraanion ChEBI NTP(4-) SUBMITTER a ribonucleoside 5'-triphosphate UniProt nucleoside 5'-triphosphate tetraanion ChEBI nucleoside triphosphate(4-) ChEBI A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine. 0 C7H7Cl InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 KCXMKQUNVWSEMD-UHFFFAOYSA-N 126.58318 126.02363 ClCc1ccccc1 CHEBI:51506 Beilstein:471308 CAS:100-44-7 HMDB:HMDB0059882 KEGG:C19167 PMID:24559471 PPDB:1644 Reaxys:471308 Wikipedia:Benzyl_chloride (chloromethyl)benzene chebi_ontology Benzylchlorid Chlorure de benzyle alpha-Chlorotoluene alpha-Chlortoluol omega-Chlorotoluene CHEBI:615597 benzyl chloride Beilstein:471308 Beilstein CAS:100-44-7 ChemIDplus CAS:100-44-7 KEGG COMPOUND CAS:100-44-7 NIST Chemistry WebBook PMID:24559471 Europe PMC Reaxys:471308 Reaxys (chloromethyl)benzene IUPAC Benzylchlorid ChemIDplus Chlorure de benzyle ChemIDplus alpha-Chlorotoluene ChemIDplus alpha-Chlorotoluene NIST_Chemistry_WebBook alpha-Chlortoluol ChemIDplus omega-Chlorotoluene NIST_Chemistry_WebBook An aryl group obtained via removal of the hydrogen atom from the 4-position of nitrobenzene. 0 C6H4NO2 122.10150 122.02420 C=1C=C(C=CC1*)[N+]([O-])=O PMID:15267227 chebi_ontology 4-nitrophenyl 4-nitrophenyl group p-nitrophenyl CHEBI:61595 p-nitrophenyl group PMID:15267227 Europe PMC 4-nitrophenyl ChEBI 4-nitrophenyl group ChEBI p-nitrophenyl ChEBI chebi_ontology CHEBI:616459 carbamimidoylazanium An anion resulting from the removal of a proton from an organic sulfamic acid group. -1 NO3SR2 94.07000 93.95989 [O-]S(=O)(=O)N([*])[*] chebi_ontology an organic sulfamic acid anion organic sulfamic acid anions CHEBI:61660 organic sulfamate oxoanion an organic sulfamic acid anion ChEBI organic sulfamic acid anions ChEBI Any cyclitol having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups. chebi_ontology amino cyclitols aminocyclitol aminocyclitols CHEBI:61689 amino cyclitol amino cyclitols ChEBI aminocyclitol ChEBI aminocyclitols ChEBI Any organic molecular entity derived from a fatty acid. chebi_ontology FA derivative FA derivatives fatty acid derivatives CHEBI:61697 fatty acid derivative FA derivative ChEBI FA derivatives ChEBI fatty acid derivatives ChEBI An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39). Wikipedia:Nitric_oxide_synthase chebi_ontology EC 1.14.13.39 (nitric oxide synthase) inhibitors EC 1.14.13.39 inhibitor EC 1.14.13.39 inhibitors NADPH-diaphorase inhibitor NADPH-diaphorase inhibitors NO synthase inhibitor NO synthase inhibitors endothelium-derived relaxation factor-forming enzyme inhibitor endothelium-derived relaxation factor-forming enzyme inhibitors endothelium-derived relaxing factor synthase inhibitor endothelium-derived relaxing factor synthase inhibitors nitric oxide synthase (EC 1.14.13.39) inhibitor nitric oxide synthase (EC 1.14.13.39) inhibitors nitric oxide synthase inhibitor nitric oxide synthase inhibitors nitric oxide synthetase inhibitor nitric oxide synthetase inhibitors nitric-oxide synthetase inhibitor nitric-oxide synthetase inhibitors CHEBI:61908 EC 1.14.13.39 (nitric oxide synthase) inhibitor EC 1.14.13.39 (nitric oxide synthase) inhibitors ChEBI EC 1.14.13.39 inhibitor ChEBI EC 1.14.13.39 inhibitors ChEBI NADPH-diaphorase inhibitor ChEBI NADPH-diaphorase inhibitors ChEBI NO synthase inhibitor ChEBI NO synthase inhibitors ChEBI endothelium-derived relaxation factor-forming enzyme inhibitor ChEBI endothelium-derived relaxation factor-forming enzyme inhibitors ChEBI endothelium-derived relaxing factor synthase inhibitor ChEBI endothelium-derived relaxing factor synthase inhibitors ChEBI nitric oxide synthase (EC 1.14.13.39) inhibitor ChEBI nitric oxide synthase (EC 1.14.13.39) inhibitors ChEBI nitric oxide synthase inhibitor ChEBI nitric oxide synthase inhibitors ChEBI nitric oxide synthetase inhibitor ChEBI nitric oxide synthetase inhibitors ChEBI nitric-oxide synthetase inhibitor ChEBI nitric-oxide synthetase inhibitors ChEBI Any substance that interacts with tubulin to promote polymerisation of microtubules. PMID:11470606 chebi_ontology microtubule stabilising agent microtubule stabilising role microtubule stabilizing agent microtubule stabilizing agents microtubule stabilizing role microtubule-stabilising agents microtubule-stabilizing agent CHEBI:61950 microtubule-stabilising agent PMID:11470606 Europe PMC microtubule stabilising agent ChEBI microtubule stabilising role ChEBI microtubule stabilizing agent ChEBI microtubule stabilizing agents ChEBI microtubule stabilizing role SUBMITTER microtubule-stabilising agents ChEBI microtubule-stabilizing agent ChEBI Any substance that interacts with tubulin to inhibit polymerisation of microtubules. PMID:17099073 chebi_ontology microtubule destabilising agent microtubule destabilising agents microtubule destabilising role microtubule destabilizing role microtubule-destabilising agents microtubule-destabilizing agent microtubule-destabilizing agents CHEBI:61951 microtubule-destabilising agent PMID:17099073 Europe PMC microtubule destabilising agent ChEBI microtubule destabilising agents ChEBI microtubule destabilising role ChEBI microtubule destabilizing role SUBMITTER microtubule-destabilising agents ChEBI microtubule-destabilizing agent ChEBI microtubule-destabilizing agents ChEBI An agonist that selectively binds to and activates a metabotropic glutamate receptor. chebi_ontology mGluRs agonist metabotropic glutamate receptor agonists CHEBI:61966 metabotropic glutamate receptor agonist mGluRs agonist ChEBI metabotropic glutamate receptor agonists ChEBI Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group. 0 C2H4NO2R 74.059 74.02420 C(C([O-])=O)(*)[NH3+] MetaCyc:Polar-amino-acids chebi_ontology a polar amino acid CHEBI:62031 polar amino acid zwitterion MetaCyc:Polar-amino-acids SUBMITTER a polar amino acid UniProt Any donor that can transfer acyl groups between molecular entities. PMID:16100120 PMID:19052863 chebi_ontology CHEBI:62049 acyl donor PMID:16100120 Europe PMC PMID:19052863 Europe PMC A monocarboxylic acid anion that is the conjugate base of cis-abscisic acid; major species at pH 7.3. -1 C15H19O4 InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7- JLIDBLDQVAYHNE-LXGGSRJLSA-M 263.30900 263.12888 CC(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C\C([O-])=O CHEBI:49196 chebi_ontology 2-cis-abscisate anion 2-cis-abscisate(1-) 2-cis-abscisic acid anion abscisate abscisate anion abscisate(1-) abscisic acid anion CHEBI:62071 2-cis-abscisate 2-cis-abscisate anion ChEBI 2-cis-abscisate(1-) ChEBI 2-cis-abscisic acid anion ChEBI abscisate ChEBI abscisate anion ChEBI abscisate(1-) ChEBI abscisic acid anion ChEBI An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens. -1 CH2O3SR 94.09000 93.97246 [H]C([H])([*])S([O-])(=O)=O KEGG:C15521 MetaCyc:Alkanesulfonates chebi_ontology 1,1-di-unsubstituted alkanesulfonate 1,1-di-unsubstituted alkanesulfonates 1,1-diunsubstituted alkanesulfonates CHEBI:62081 1,1-diunsubstituted alkanesulfonate 1,1-di-unsubstituted alkanesulfonate ChEBI 1,1-di-unsubstituted alkanesulfonates ChEBI 1,1-diunsubstituted alkanesulfonates ChEBI A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory. chebi_ontology allelochemicals CHEBI:62215 allelochemical allelochemicals ChEBI Any apo carotenoid sesquiterpenoid that is 3-methylpenta-2,4-dienoic acid substituted at position 5 by a 1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl group and in which the acyclic double bond between positions 4 and 5 has E-configuration. 0 C15H20O4 InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7? JLIDBLDQVAYHNE-FEGZXCSJSA-N 264.31690 264.13616 [H]C(C(O)=O)=C(C)\C=C\C1(O)C(C)=CC(=O)CC1(C)C (4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid chebi_ontology abscisic acid CHEBI:62431 abscisic acids (4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid IUPAC abscisic acid ChEBI A monocarboxylic acid anion obtained by removal of a proton from the carboxy group of any member of the class of abscisic acids. -1 C15H19O4 InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7? JLIDBLDQVAYHNE-FEGZXCSJSA-M 263.30900 263.12888 [H]C(C([O-])=O)=C(C)\C=C\C1(O)C(C)=CC(=O)CC1(C)C chebi_ontology abscisate CHEBI:62432 abscisates abscisate UniProt A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell. chebi_ontology signal molecule signal molecules signaling molecule signaling molecules signalling molecules CHEBI:62488 signalling molecule signal molecule ChEBI signal molecules ChEBI signaling molecule ChEBI signaling molecules ChEBI signalling molecules ChEBI Any branched-chain fatty acid containing methyl branches only. PMID:17030019 PMID:19747846 PMID:19933331 chebi_ontology methyl-branched fatty acids CHEBI:62499 methyl-branched fatty acid PMID:17030019 Europe PMC PMID:19747846 Europe PMC PMID:19933331 SUBMITTER methyl-branched fatty acids ChEBI The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety. -2 C19H17N7O6 InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-L 439.38160 439.12513 Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)nc2c(=O)[nH]1 MetaCyc:CPD-12826 PMCID:PMC8181341 PMID:34051149 N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-) chebi_ontology folate pteroyl-L-glutamate pteroyl-L-monoglutamate pteroylglutamate CHEBI:62501 folate(2-) MetaCyc:CPD-12826 SUBMITTER PMCID:PMC8181341 Europe PMC PMID:34051149 Europe PMC N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-) IUPAC folate MetaCyc folate UniProt pteroyl-L-glutamate ChEBI pteroyl-L-monoglutamate ChEBI pteroylglutamate ChEBI Arsonium, AsH4(+), and derivatives formed by substitution by univalent groups. chebi_ontology arsonium ions CHEBI:62607 arsonium ion arsonium ions ChEBI An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the function of aconitase (EC 4.2.1.3). chebi_ontology 2-methylaconitate hydratase inhibitor 2-methylaconitate hydratase inhibitors 4.2.1.3 inhibitor 4.2.1.3 inhibitors AcnB inhibitor AcnB inhibitors EC 4.2.1.3 (aconitate hydratase) inhibitors aconitase inhibitor aconitase inhibitors aconitate hydratase (EC 4.2.1.3) inhibitor aconitate hydratase (EC 4.2.1.3) inhibitors aconitate hydratase inhibitor aconitate hydratase inhibitors cis-aconitase inhibitor cis-aconitase inhibitors citrate hydro-lyase inhibitor citrate hydro-lyase inhibitors citrate(isocitrate) hydro-lyase (cis-aconitate-forming) inhibitor citrate(isocitrate) hydro-lyase (cis-aconitate-forming) inhibitors citrate(isocitrate) hydro-lyase inhibitor citrate(isocitrate) hydro-lyase inhibitors CHEBI:62608 EC 4.2.1.3 (aconitate hydratase) inhibitor 2-methylaconitate hydratase inhibitor ChEBI 2-methylaconitate hydratase inhibitors ChEBI 4.2.1.3 inhibitor ChEBI 4.2.1.3 inhibitors ChEBI AcnB inhibitor ChEBI AcnB inhibitors ChEBI EC 4.2.1.3 (aconitate hydratase) inhibitors ChEBI aconitase inhibitor ChEBI aconitase inhibitors ChEBI aconitate hydratase (EC 4.2.1.3) inhibitor ChEBI aconitate hydratase (EC 4.2.1.3) inhibitors ChEBI aconitate hydratase inhibitor ChEBI aconitate hydratase inhibitors ChEBI cis-aconitase inhibitor ChEBI cis-aconitase inhibitors ChEBI citrate hydro-lyase inhibitor ChEBI citrate hydro-lyase inhibitors ChEBI citrate(isocitrate) hydro-lyase (cis-aconitate-forming) inhibitor ChEBI citrate(isocitrate) hydro-lyase (cis-aconitate-forming) inhibitors ChEBI citrate(isocitrate) hydro-lyase inhibitor ChEBI citrate(isocitrate) hydro-lyase inhibitors ChEBI Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-). chebi_ontology anionic phospholipids phospholipid anion phospholipid anions CHEBI:62643 anionic phospholipid anionic phospholipids ChEBI phospholipid anion ChEBI phospholipid anions ChEBI An ester where the ester linkage is bonded directly to an aromatic system. chebi_ontology aromatic esters CHEBI:62732 aromatic ester aromatic esters ChEBI An amide in which the amide linkage is bonded directly to an aromatic system. chebi_ontology aromatic amides CHEBI:62733 aromatic amide aromatic amides ChEBI An antagonist that blocks glycine receptors. chebi_ontology glycine receptor antagonists CHEBI:62754 glycine receptor antagonist glycine receptor antagonists ChEBI An amino acid derivative resulting from reaction of tyrosine at the amino group or the carboxy group, any substitution of phenyl hydrogens, or from the replacement of any hydrogen of tyrosine by a heteroatom. The definition normally excludes peptides containing tyrosine residues. chebi_ontology tyrosine derivatives CHEBI:62761 tyrosine derivative tyrosine derivatives ChEBI A family of nitrogen molecular entities which are highly reactive and derived from nitric oxide (.NO) and superoxide (O2.(-)) produced via the enzymatic activity of inducible nitric oxide synthase 2 (NOS2) and NADPH oxidase respectively. PMID:12076975 PMID:17667957 PMID:9741578 Wikipedia:Reactive_nitrogen_species chebi_ontology RNI RNS CHEBI:62764 reactive nitrogen species PMID:12076975 SUBMITTER PMID:17667957 SUBMITTER PMID:9741578 SUBMITTER RNI SUBMITTER RNS SUBMITTER Any additive that enhances the efficiency of fuel. chebi_ontology fuel additives fuel enhancer CHEBI:62803 fuel additive fuel additives ChEBI fuel enhancer ChEBI An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. 0 C8H18 InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 NHTMVDHEPJAVLT-UHFFFAOYSA-N 114.22850 114.14085 CC(C)CC(C)(C)C Beilstein:1696876 CAS:540-84-1 PMID:23234386 Reaxys:1696876 Wikipedia:Isooctane 2,2,4-trimethylpentane chebi_ontology (CH3)2CHCH2C(CH3)3 Isobutyltrimethylmethane iso-octane CHEBI:62805 isooctane Beilstein:1696876 ChemIDplus CAS:540-84-1 ChemIDplus CAS:540-84-1 NIST Chemistry WebBook PMID:23234386 Europe PMC Reaxys:1696876 Reaxys 2,2,4-trimethylpentane IUPAC (CH3)2CHCH2C(CH3)3 NIST_Chemistry_WebBook Isobutyltrimethylmethane ChemIDplus iso-octane ChEBI A 1-acyl-sn-glycerol 3-phosphate having oleoyl as the 1-O-acyl group. 0 C21H41O7P InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1 WRGQSWVCFNIUNZ-GDCKJWNLSA-N 436.51980 436.25899 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O HMDB:HMDB0007855 LIPID_MAPS_instance:LMGP10050008 PMID:10779388 PMID:16651401 PMID:17887800 PMID:18006645 PMID:20005724 PMID:20118541 PMID:21392506 PMID:25584012 PMID:9855625 Reaxys:8172316 (2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z)-octadec-9-enoate chebi_ontology 1-(9Z-octadecenoyl)-sn-glycero-3-phosphate 1-O-oleoyl-sn-glycerol 3-phosphate 1-O-oleyl-sn-glycerol 3-phosphate 1-Oleoyl-sn-glycero-3-phosphate 1-oleoyl lysophosphatidic acid 1-oleoyl-2-lyso-sn-glycerol 3-phosphatidic acid 1-oleoylglycerol 3-phosphate 1-oleyl-2-lyso-sn-glycerol 3-phosphatidic acid 1-oleyl-sn-glycerol 3-phosphate 1-oleylglycerol 3-phosphate 1-oleyllysophosphatidic acid 18:1 LPA LPA 18:1 LPA(18:1(9Z)/0:0) LPA(18:1) LPA(18:1/0:0) LPA(18:1n9/0:0) LPA(18:1w9/0:0) LysoPA(18:1(9Z)/0:0) LysoPA(18:1) LysoPA(18:1w9/0:0) Lysophosphatidic acid(18:1) Lysophosphatidic acid(18:1/0:0) Lysophosphatidic acid(18:1n9/0:0) Lysophosphatidic acid(18:1w9/0:0) Monooleylphosphatidic acid PA(18:1/0:0) CHEBI:62837 1-oleoyl-sn-glycerol 3-phosphate LIPID_MAPS_instance:LMGP10050008 LIPID MAPS PMID:10779388 Europe PMC PMID:16651401 Europe PMC PMID:17887800 Europe PMC PMID:18006645 Europe PMC PMID:20005724 Europe PMC PMID:20118541 Europe PMC PMID:21392506 Europe PMC PMID:25584012 Europe PMC PMID:9855625 Europe PMC Reaxys:8172316 Reaxys (2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z)-octadec-9-enoate IUPAC 1-(9Z-octadecenoyl)-sn-glycero-3-phosphate LIPID_MAPS 1-O-oleoyl-sn-glycerol 3-phosphate ChEBI 1-O-oleyl-sn-glycerol 3-phosphate ChEBI 1-Oleoyl-sn-glycero-3-phosphate LIPID_MAPS 1-oleoyl lysophosphatidic acid HMDB 1-oleoyl-2-lyso-sn-glycerol 3-phosphatidic acid ChEBI 1-oleoylglycerol 3-phosphate ChEBI 1-oleyl-2-lyso-sn-glycerol 3-phosphatidic acid ChEBI 1-oleyl-sn-glycerol 3-phosphate ChEBI 1-oleylglycerol 3-phosphate ChEBI 1-oleyllysophosphatidic acid HMDB 18:1 LPA ChEBI LPA 18:1 ChEBI LPA(18:1(9Z)/0:0) HMDB LPA(18:1) HMDB LPA(18:1/0:0) HMDB LPA(18:1n9/0:0) HMDB LPA(18:1w9/0:0) HMDB LysoPA(18:1(9Z)/0:0) HMDB LysoPA(18:1) HMDB LysoPA(18:1w9/0:0) HMDB Lysophosphatidic acid(18:1) HMDB Lysophosphatidic acid(18:1/0:0) HMDB Lysophosphatidic acid(18:1n9/0:0) HMDB Lysophosphatidic acid(18:1w9/0:0) HMDB Monooleylphosphatidic acid HMDB PA(18:1/0:0) LIPID_MAPS Any compound that is able to prevent damage to the liver. chebi_ontology antihepatotoxic agent hepatoprotective agents hepatoprotector CHEBI:62868 hepatoprotective agent antihepatotoxic agent ChEBI hepatoprotective agents ChEBI hepatoprotector ChEBI An EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor which interferes with the action of aldehyde oxidase (EC 1.2.3.1). Wikipedia:Aldehyde_oxidase chebi_ontology EC 1.2.3.1 (aldehyde oxidase) inhibitors EC 1.2.3.1 inhibitor EC 1.2.3.1 inhibitors aldehyde oxidase (EC 1.2.3.1) inhibitor aldehyde oxidase (EC 1.2.3.1) inhibitors aldehyde oxidase inhibitor aldehyde oxidase inhibitors aldehyde:oxygen oxidoreductase inhibitor aldehyde:oxygen oxidoreductase inhibitors quinoline oxidase inhibitor quinoline oxidase inhibitors retinal oxidase inhibitor retinal oxidase inhibitors retinoic acid synthase inhibitor retinoic acid synthase inhibitors CHEBI:62872 EC 1.2.3.1 (aldehyde oxidase) inhibitor EC 1.2.3.1 (aldehyde oxidase) inhibitors ChEBI EC 1.2.3.1 inhibitor ChEBI EC 1.2.3.1 inhibitors ChEBI aldehyde oxidase (EC 1.2.3.1) inhibitor ChEBI aldehyde oxidase (EC 1.2.3.1) inhibitors ChEBI aldehyde oxidase inhibitor ChEBI aldehyde oxidase inhibitors ChEBI aldehyde:oxygen oxidoreductase inhibitor ChEBI aldehyde:oxygen oxidoreductase inhibitors ChEBI quinoline oxidase inhibitor ChEBI quinoline oxidase inhibitors ChEBI retinal oxidase inhibitor ChEBI retinal oxidase inhibitors ChEBI retinoic acid synthase inhibitor ChEBI retinoic acid synthase inhibitors ChEBI An organic phosphate ester formed by condensation of diphosphoric acid with one or more alcohols. chebi_ontology organic diphosphates organic pyrophosphate organic pyrophosphates CHEBI:62889 organic diphosphate organic diphosphates ChEBI organic pyrophosphate ChEBI organic pyrophosphates ChEBI An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD(+) ADP-ribosyltransferase (EC 2.4.2.30). Wikipedia:PARP_inhibitor chebi_ontology ADP-ribosyltransferase (polymerising) inhibitor ADP-ribosyltransferase (polymerising) inhibitors ADP-ribosyltransferase (polymerizing) inhibitor ADP-ribosyltransferase (polymerizing) inhibitors EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitors EC 2.4.2.30 inhibitor EC 2.4.2.30 inhibitors NAD(+) ADP-ribosyltransferase (EC 2.4.2.30) inhibitor NAD(+) ADP-ribosyltransferase (EC 2.4.2.30) inhibitors NAD(+) ADP-ribosyltransferase inhibitor NAD(+) ADP-ribosyltransferase inhibitors NAD(+):poly(ADP-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitor NAD(+):poly(ADP-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitors NAD(+):poly(adenosine-diphosphate-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitor NAD(+):poly(adenosine-diphosphate-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitors PARP PARPs poly(ADP-ribose) polymerase inhibitor poly(ADP-ribose) polymerase inhibitors poly(ADP-ribose) synthase inhibitor poly(ADP-ribose) synthase inhibitors poly(ADP-ribose) synthetase inhibitor poly(ADP-ribose) synthetase inhibitors poly(adenosine diphosphate ribose) polymerase inhibitor poly(adenosine diphosphate ribose) polymerase inhibitors CHEBI:62913 EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor ADP-ribosyltransferase (polymerising) inhibitor ChEBI ADP-ribosyltransferase (polymerising) inhibitors ChEBI ADP-ribosyltransferase (polymerizing) inhibitor ChEBI ADP-ribosyltransferase (polymerizing) inhibitors ChEBI EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitors ChEBI EC 2.4.2.30 inhibitor ChEBI EC 2.4.2.30 inhibitors ChEBI NAD(+) ADP-ribosyltransferase (EC 2.4.2.30) inhibitor ChEBI NAD(+) ADP-ribosyltransferase (EC 2.4.2.30) inhibitors ChEBI NAD(+) ADP-ribosyltransferase inhibitor ChEBI NAD(+) ADP-ribosyltransferase inhibitors ChEBI NAD(+):poly(ADP-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitor ChEBI NAD(+):poly(ADP-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitors ChEBI NAD(+):poly(adenosine-diphosphate-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitor ChEBI NAD(+):poly(adenosine-diphosphate-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitors ChEBI PARP ChEBI PARPs ChEBI poly(ADP-ribose) polymerase inhibitor ChEBI poly(ADP-ribose) polymerase inhibitors ChEBI poly(ADP-ribose) synthase inhibitor ChEBI poly(ADP-ribose) synthase inhibitors ChEBI poly(ADP-ribose) synthetase inhibitor ChEBI poly(ADP-ribose) synthetase inhibitors ChEBI poly(adenosine diphosphate ribose) polymerase inhibitor ChEBI poly(adenosine diphosphate ribose) polymerase inhibitors ChEBI A polyunsaturated fatty acid anion that is the conjugate base of icosatetraenoic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3. -1 C20H31O2 303.45894 303.23241 [O-]C([*])=O CHEBI:78071 chebi_ontology eicosatetraenoate eicosatetranoates eicosatetranoic acid anion eicosatetranoic acid anions icosatetranoate icosatetranoates icosatetranoic acid anion icosatetranoic acid anions CHEBI:62920 icosatetraenoate eicosatetraenoate ChEBI eicosatetranoates ChEBI eicosatetranoic acid anion ChEBI eicosatetranoic acid anions ChEBI icosatetranoate ChEBI icosatetranoates ChEBI icosatetranoic acid anion ChEBI icosatetranoic acid anions ChEBI A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid. -1 C17H19O6 InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/p-1/b9-4+ HPNSFSBZBAHARI-RUDMXATFSA-M 319.32920 319.11871 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC([O-])=O (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate mycophenolate chebi_ontology CHEBI:62932 mycophenolate (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate IUPAC mycophenolate UniProt The carboxylic acid anion that is the conjugate base of an icosanoid, formed when the carboxy group is deprotonated. icosanoid anion chebi_ontology eicosanoid anion eicosanoid anions icosanoid anions CHEBI:62937 icosanoid anion icosanoid anion ChEBI eicosanoid anion ChEBI eicosanoid anions ChEBI icosanoid anions ChEBI An icosanoid anion that is the conjugate base of a prostanoid. chebi_ontology prostanoid anions CHEBI:62943 prostanoid anion prostanoid anions ChEBI An alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine. -1 C4H8NO3 InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1 UKAUYVFTDYCKQA-UHFFFAOYSA-M 118.11120 118.05097 NC(CCO)C([O-])=O 2-amino-4-hydroxybutanoate chebi_ontology 2-amino-4-hydroxybutyrate homoserine anion homoserine(1-) CHEBI:62980 homoserinate 2-amino-4-hydroxybutanoate IUPAC 2-amino-4-hydroxybutyrate ChEBI homoserine anion ChEBI homoserine(1-) ChEBI A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane). 0 C6H14O2 InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 SVTBMSDMJJWYQN-UHFFFAOYSA-N 118.17420 118.09938 CC(O)CC(C)(C)O Beilstein:1098298 CAS:107-41-5 PMID:14524450 PMID:20185893 PMID:2529099 PMID:886995 PPDB:1315 Patent:WO2010048675 Reaxys:1098298 Wikipedia:2-Methyl-2,4-pentanediol 2-methylpentane-2,4-diol chebi_ontology 1,1,3-Trimethyltrimethylenediol 1,1,3-trimethyl-1,3-propanediol 1,3,3-trimethyl-1,3-propanediol 1,3-dimethyl-3-hydroxybutanol 2,4-Dihydroxy-2-methylpentane 2-Methyl pentane-2,4-diol 2-Methyl-2,4-pentandiol 2-Methyl-2,4-pentanediol 4-Methyl-2,4-pentanediol Hexylene glycol MPD alpha,alpha,alpha'-trimethyltrimethylene glycol CHEBI:62995 2-methylpentane-2,4-diol Beilstein:1098298 ChemIDplus CAS:107-41-5 ChemIDplus CAS:107-41-5 NIST Chemistry WebBook PMID:14524450 Europe PMC PMID:20185893 Europe PMC PMID:2529099 Europe PMC PMID:886995 Europe PMC Reaxys:1098298 Reaxys 2-methylpentane-2,4-diol IUPAC 1,1,3-Trimethyltrimethylenediol ChemIDplus 1,1,3-trimethyl-1,3-propanediol ChEBI 1,3,3-trimethyl-1,3-propanediol ChEBI 1,3-dimethyl-3-hydroxybutanol ChEBI 2,4-Dihydroxy-2-methylpentane ChemIDplus 2-Methyl pentane-2,4-diol NIST_Chemistry_WebBook 2-Methyl-2,4-pentandiol NIST_Chemistry_WebBook 2-Methyl-2,4-pentanediol ChemIDplus 4-Methyl-2,4-pentanediol ChemIDplus Hexylene glycol ChemIDplus MPD SUBMITTER alpha,alpha,alpha'-trimethyltrimethylene glycol ChemIDplus The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability. chebi_ontology emulgent emulgents emulsifiers CHEBI:63046 emulsifier emulgent ChEBI emulgents ChEBI emulsifiers ChEBI A food additive used to form or maintain a uniform emulsion of two (or more) phases in a food. chebi_ontology food emulsifiers CHEBI:63047 food emulsifier food emulsifiers ChEBI An organic cation resulting from protonation or quaternisation at the 3-position of any 1,3-thiazole. chebi_ontology 1,3-thiazolium cations CHEBI:63048 1,3-thiazolium cation 1,3-thiazolium cations ChEBI Any zinc ion that is positively charged. chebi_ontology zinc cations CHEBI:63056 zinc cation zinc cations ChEBI An aluminium atom having a positive net electric charge. chebi_ontology Al cation Al cations aluminium cations CHEBI:63062 aluminium cation Al cation ChEBI Al cations ChEBI aluminium cations ChEBI A transition element cation where the metal is specifed as cadmium. chebi_ontology cadmium cations CHEBI:63063 cadmium cation cadmium cations ChEBI A beta-amino-acid anion that is the conjugate base of beta-alanine. -1 C3H6NO2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M 88.08520 88.04040 NCCC([O-])=O Reaxys:3536336 3-aminopropanoate chebi_ontology beta-alaninate anion beta-alaninate(1-) CHEBI:63070 beta-alaninate Reaxys:3536336 Reaxys 3-aminopropanoate IUPAC beta-alaninate anion ChEBI beta-alaninate(1-) ChEBI An agonist that binds to and activates sphingosine 1-phosphate receptors. CHEBI:63172 chebi_ontology EDG receptor agonist S1P receptor agonist S1P receptor agonists SIP agonist SIP agonists sphingosine 1-phosphate receptor agonist sphingosine 1-phosphate receptor agonists sphingosine-1-phosphate receptor agonists CHEBI:63114 sphingosine-1-phosphate receptor agonist EDG receptor agonist ChEBI S1P receptor agonist ChEBI S1P receptor agonists ChEBI SIP agonist ChEBI SIP agonists ChEBI sphingosine 1-phosphate receptor agonist ChEBI sphingosine 1-phosphate receptor agonists ChEBI sphingosine-1-phosphate receptor agonists ChEBI A tetracarboxylic acid anion formed by deprotonation of three of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA). -3 C10H13N2O8 InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-3 KCXVZYZYPLLWCC-UHFFFAOYSA-K 289.21880 289.06884 OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate chebi_ontology CHEBI:63131 EDTA(3-) 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate IUPAC An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of mitochondrial carnitine O-palmitoyltransferase (EC 2.3.1.21). chebi_ontology CPT I (outer membrane carnitine palmitoyl transferase) inhibitor CPT I (outer membrane carnitine palmitoyl transferase) inhibitors CPT inhibitor CPT inhibitors CPT-A inhibitor CPT-A inhibitors CPT-B inhibitor CPT-B inhibitors CPTi inhibitor CPTi inhibitors CPTo inhibitor CPTo inhibitors CTP-1 inhibitor CTP-1 inhibitors EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitors EC 2.3.1.21 inhibitor EC 2.3.1.21 inhibitors L-carnitine palmitoyltransferase inhibitor L-carnitine palmitoyltransferase inhibitors acylcarnitine transferase inhibitor acylcarnitine transferase inhibitors carnitine O-palmitoyltransferase (EC 2.3.1.21) inhibitor carnitine O-palmitoyltransferase (EC 2.3.1.21) inhibitors carnitine O-palmitoyltransferase inhibitor carnitine O-palmitoyltransferase inhibitors carnitine palmitoyltransferase II inhibitor carnitine palmitoyltransferase II inhibitors carnitine palmitoyltransferase inhibitor carnitine palmitoyltransferase inhibitors carnitine palmitoyltransferase-1 inhibitor carnitine palmitoyltransferase-1 inhibitors carnitine palmitoyltransferase-A inhibitor carnitine palmitoyltransferase-A inhibitors mitochondrial carnitine palmitoyltransferase-1 inhibitor mitochondrial carnitine palmitoyltransferase-1 inhibitors outer malonyl-CoA inhibitable carnitine palmitoyltransferase inhibitor outer malonyl-CoA inhibitable carnitine palmitoyltransferase inhibitors palmitoyl-CoA:L-carnitine O-palmitoyltransferase inhibitor palmitoyl-CoA:L-carnitine O-palmitoyltransferase inhibitors palmitoylcarnitine transferase inhibitor palmitoylcarnitine transferase inhibitors CHEBI:63158 EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor CPT I (outer membrane carnitine palmitoyl transferase) inhibitor ChEBI CPT I (outer membrane carnitine palmitoyl transferase) inhibitors ChEBI CPT inhibitor ChEBI CPT inhibitors ChEBI CPT-A inhibitor ChEBI CPT-A inhibitors ChEBI CPT-B inhibitor ChEBI CPT-B inhibitors ChEBI CPTi inhibitor ChEBI CPTi inhibitors ChEBI CPTo inhibitor ChEBI CPTo inhibitors ChEBI CTP-1 inhibitor ChEBI CTP-1 inhibitors ChEBI EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitors ChEBI EC 2.3.1.21 inhibitor ChEBI EC 2.3.1.21 inhibitors ChEBI L-carnitine palmitoyltransferase inhibitor ChEBI L-carnitine palmitoyltransferase inhibitors ChEBI acylcarnitine transferase inhibitor ChEBI acylcarnitine transferase inhibitors ChEBI carnitine O-palmitoyltransferase (EC 2.3.1.21) inhibitor ChEBI carnitine O-palmitoyltransferase (EC 2.3.1.21) inhibitors ChEBI carnitine O-palmitoyltransferase inhibitor ChEBI carnitine O-palmitoyltransferase inhibitors ChEBI carnitine palmitoyltransferase II inhibitor ChEBI carnitine palmitoyltransferase II inhibitors ChEBI carnitine palmitoyltransferase inhibitor ChEBI carnitine palmitoyltransferase inhibitors ChEBI carnitine palmitoyltransferase-1 inhibitor ChEBI carnitine palmitoyltransferase-1 inhibitors ChEBI carnitine palmitoyltransferase-A inhibitor ChEBI carnitine palmitoyltransferase-A inhibitors ChEBI mitochondrial carnitine palmitoyltransferase-1 inhibitor ChEBI mitochondrial carnitine palmitoyltransferase-1 inhibitors ChEBI outer malonyl-CoA inhibitable carnitine palmitoyltransferase inhibitor ChEBI outer malonyl-CoA inhibitable carnitine palmitoyltransferase inhibitors ChEBI palmitoyl-CoA:L-carnitine O-palmitoyltransferase inhibitor ChEBI palmitoyl-CoA:L-carnitine O-palmitoyltransferase inhibitors ChEBI palmitoylcarnitine transferase inhibitor ChEBI palmitoylcarnitine transferase inhibitors ChEBI A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity. chebi_ontology glycosyl compounds CHEBI:63161 glycosyl compound glycosyl compounds ChEBI An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate. chebi_ontology ribonucleoside monophosphate oxoanions CHEBI:63165 ribonucleoside monophosphate oxoanion ribonucleoside monophosphate oxoanions ChEBI A nitrotoluene bearing a single nitro substituent at any position. A "closed class". Wikipedia:Mononitrotoluene chebi_ontology mononitrotoluenes CHEBI:63171 mononitrotoluene mononitrotoluenes ChEBI An inhibitor that interferes with the process of T-cell proliferation. chebi_ontology T-cell proliferation inhibitors CHEBI:63173 T-cell proliferation inhibitor T-cell proliferation inhibitors ChEBI The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species. Wikipedia:Reducing_agent chebi_ontology reducer reducers reducing agents reductant reductants CHEBI:63247 reducing agent reducer ChEBI reducers ChEBI reducing agents ChEBI reductant ChEBI reductants ChEBI A substance that removes electrons from another reactant in a redox reaction. chebi_ontology oxidant oxidants oxidiser oxidisers oxidising agents oxidizer oxidizers oxidizing agent oxidizing agents CHEBI:63248 oxidising agent oxidant ChEBI oxidants ChEBI oxidiser ChEBI oxidisers ChEBI oxidising agents ChEBI oxidizer ChEBI oxidizers ChEBI oxidizing agent ChEBI oxidizing agents ChEBI Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds. chebi_ontology carbohydrate derivatives derivatised carbohydrate derivatised carbohydrates derivatized carbohydrate derivatized carbohydrates CHEBI:63299 carbohydrate derivative carbohydrate derivatives ChEBI derivatised carbohydrate ChEBI derivatised carbohydrates ChEBI derivatized carbohydrate ChEBI derivatized carbohydrates ChEBI The inorganic dichloride salt of barium. 0 BaCl2 InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2 WDIHJSXYQDMJHN-UHFFFAOYSA-L 208.23300 207.84295 [Cl-].[Cl-].[Ba++] CAS:10361-37-2 MetaCyc:CPD0-1592 PMID:21601246 Reaxys:1209229 Reaxys:8128158 Wikipedia:Barium_chloride barium dichloride chebi_ontology BaCl2 CHEBI:63317 barium chloride CAS:10361-37-2 ChemIDplus CAS:10361-37-2 NIST Chemistry WebBook PMID:21601246 Europe PMC Reaxys:1209229 Reaxys Reaxys:8128158 Reaxys barium dichloride IUPAC BaCl2 MetaCyc An alkaline earth salt that has barium(2+) as the cation. chebi_ontology barium salts CHEBI:63320 barium salt barium salts ChEBI An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of alkaline phosphatase (EC 3.1.3.1). Wikipedia:Alkaline_phosphatase chebi_ontology EC 3.1.3.1 (alkaline phosphatase) inhibitors EC 3.1.3.1 inhibitor EC 3.1.3.1 inhibitors alkaline phenyl phosphatase inhibitor alkaline phenyl phosphatase inhibitors alkaline phosphatase (EC 3.1.3.1) inhibitor alkaline phosphatase (EC 3.1.3.1) inhibitors alkaline phosphatase inhibitor alkaline phosphatase inhibitors alkaline phosphohydrolase inhibitor alkaline phosphohydrolase inhibitors alkaline phosphomonoesterase inhibitor alkaline phosphomonoesterase inhibitors glycerophosphatase inhibitor glycerophosphatase inhibitors orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors phosphomonoesterase inhibitor phosphomonoesterase inhibitors CHEBI:63332 EC 3.1.3.1 (alkaline phosphatase) inhibitor EC 3.1.3.1 (alkaline phosphatase) inhibitors ChEBI EC 3.1.3.1 inhibitor ChEBI EC 3.1.3.1 inhibitors ChEBI alkaline phenyl phosphatase inhibitor ChEBI alkaline phenyl phosphatase inhibitors ChEBI alkaline phosphatase (EC 3.1.3.1) inhibitor ChEBI alkaline phosphatase (EC 3.1.3.1) inhibitors ChEBI alkaline phosphatase inhibitor ChEBI alkaline phosphatase inhibitors ChEBI alkaline phosphohydrolase inhibitor ChEBI alkaline phosphohydrolase inhibitors ChEBI alkaline phosphomonoesterase inhibitor ChEBI alkaline phosphomonoesterase inhibitors ChEBI glycerophosphatase inhibitor ChEBI glycerophosphatase inhibitors ChEBI orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor ChEBI orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors ChEBI phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor ChEBI phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors ChEBI phosphomonoesterase inhibitor ChEBI phosphomonoesterase inhibitors ChEBI A carbohydrate derivative that is formally obtained from a disaccharide. chebi_ontology disaccharide derivatives CHEBI:63353 disaccharide derivative disaccharide derivatives ChEBI A carbohydrate derivative that is formally obtained from a monosaccharide. chebi_ontology monosaccharide derivatives CHEBI:63367 monosaccharide derivative monosaccharide derivatives ChEBI A monosaccharide derivative that is formally obtained from a pentose. chebi_ontology pentose derivatives CHEBI:63409 pentose derivative pentose derivatives ChEBI A carbohydrate derivative that is formally obtained from an alditol. chebi_ontology alditol derivatives CHEBI:63423 alditol derivative alditol derivatives ChEBI A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated). chebi_ontology sulfur-containing amino-acid anions CHEBI:63470 sulfur-containing amino-acid anion sulfur-containing amino-acid anions ChEBI A branched-chain amino acid whose alpha-carboxylic acid group is ionized. chebi_ontology branched-chain amino-acid anions CHEBI:63471 branched-chain amino-acid anion branched-chain amino-acid anions ChEBI An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated). chebi_ontology aromatic amino-acid anions CHEBI:63473 aromatic amino-acid anion aromatic amino-acid anions ChEBI An iodothyronine whose alpha carboxylic acid group of the tyrosine is ionized (not protonated). chebi_ontology iodothyroninates CHEBI:63477 iodothyroninate iodothyroninates ChEBI A substance capable of undergoing rapid and highly exothermic decomposition. Wikipedia:Explosive_material chebi_ontology explosive compound explosive compounds explosive material explosives explosives chemical explosives chemicals CHEBI:63490 explosive explosive compound ChEBI explosive compounds ChEBI explosive material ChEBI explosives ChEBI explosives chemical ChEBI explosives chemicals ChEBI A transition element cation that is a form of platinum having had electrons removed resulting in the 2+, 3+, or 4+ cation. chebi_ontology Pt(n+) platinum cations CHEBI:63526 platinum cation Pt(n+) ChEBI platinum cations ChEBI An aralylamino compound which contains one amino group connected to an aromatic ring by a two-carbon chain. Monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes. PMID:21822758 PMID:21993877 PMID:22005599 PMID:22082101 PMID:22153577 PMID:22213370 PMID:22218931 PMID:22342987 PMID:22371656 chebi_ontology monoamines naturally occurring monoamine naturally occurring monoamines CHEBI:63534 monoamine PMID:21822758 Europe PMC PMID:21993877 Europe PMC PMID:22005599 Europe PMC PMID:22082101 Europe PMC PMID:22153577 Europe PMC PMID:22213370 Europe PMC PMID:22218931 Europe PMC PMID:22342987 Europe PMC PMID:22371656 Europe PMC monoamines ChEBI naturally occurring monoamine ChEBI naturally occurring monoamines ChEBI A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration. 0 C18H24I3N3O8 InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29) DGAIEPBNLOQYER-UHFFFAOYSA-N 791.11190 790.86975 COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I CHEBI:31712 Beilstein:7085608 CAS:73334-07-3 Drug_Central:1468 HMDB:HMDB0041910 KEGG:D01893 LINCS:LSM-5134 PMID:20412314 PMID:20890877 PMID:20921088 PMID:21039317 PMID:21141818 PMID:21159465 PMID:21529272 PMID:21545991 PMID:21623210 PMID:21877755 PMID:21943940 PMID:22028567 PMID:22178894 Patent:DE2909439 Patent:US4364921 Reaxys:7085608 Wikipedia:Iopromide N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methylisophthalamide chebi_ontology N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamide Ultravist iopromida iopromide iopromidum CHEBI:63578 iopromide Beilstein:7085608 ChemIDplus CAS:73334-07-3 ChemIDplus Drug_Central:1468 DrugCentral PMID:20412314 Europe PMC PMID:20890877 Europe PMC PMID:20921088 Europe PMC PMID:21039317 Europe PMC PMID:21141818 Europe PMC PMID:21159465 Europe PMC PMID:21529272 Europe PMC PMID:21545991 Europe PMC PMID:21623210 Europe PMC PMID:21877755 Europe PMC PMID:21943940 Europe PMC PMID:22028567 Europe PMC PMID:22178894 Europe PMC Reaxys:7085608 Reaxys N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methylisophthalamide IUPAC N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamide ChemIDplus Ultravist KEGG_DRUG iopromida ChemIDplus iopromide KEGG_DRUG iopromidum ChemIDplus A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. A synthetic guanosine analogue, it is an inhibitor of HCV polymerase and possesses a broad spectrum of activity against DNA and RNA viruses. 0 C8H12N4O5 InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 IWUCXVSUMQZMFG-AFCXAGJDSA-N 244.20470 244.08077 NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHEBI:8840 Beilstein:892462 CAS:36791-04-5 DrugBank:DB00811 Drug_Central:2373 KEGG:D00423 LINCS:LSM-5701 PMID:21827730 PMID:22052088 PMID:22052220 PMID:22156853 PMID:22158703 PMID:22212566 PMID:22212568 PMID:22212569 PMID:22212572 PMID:22212576 PMID:22212579 PMID:22220723 PMID:22239498 PMID:22239511 PMID:29438107 Reaxys:892462 Wikipedia:Ribavirin 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide chebi_ontology 1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide 1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide RBV ribavirin ribavirina ribavirine ribavirinum CHEBI:63580 ribavirin Beilstein:892462 ChemIDplus CAS:36791-04-5 ChemIDplus CAS:36791-04-5 KEGG DRUG Drug_Central:2373 DrugCentral PMID:21827730 Europe PMC PMID:22052088 Europe PMC PMID:22052220 Europe PMC PMID:22156853 Europe PMC PMID:22158703 Europe PMC PMID:22212566 Europe PMC PMID:22212568 Europe PMC PMID:22212569 Europe PMC PMID:22212572 Europe PMC PMID:22212576 Europe PMC PMID:22212579 Europe PMC PMID:22220723 Europe PMC PMID:22239498 Europe PMC PMID:22239511 Europe PMC PMID:29438107 Europe PMC Reaxys:892462 Reaxys 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide IUPAC 1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide ChemIDplus 1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide ChemIDplus RBV DrugBank ribavirin KEGG_DRUG ribavirina DrugBank ribavirine DrugBank ribavirinum DrugBank An N-glycosyl compound that consists of any triazole having a glycosyl residue attached at position 1. chebi_ontology 1-glycosyltriazoles CHEBI:63593 1-glycosyltriazole 1-glycosyltriazoles ChEBI A 1-glycosyltriazole in which the glycosyl residue is specified as ribosyl. chebi_ontology 1-ribosyltriazoles CHEBI:63594 1-ribosyltriazole 1-ribosyltriazoles ChEBI A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. 0 C23H36O7 InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1 TUZYXOIXSAXUGO-PZAWKZKUSA-N 424.52770 424.24610 [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC CHEBI:8360 CAS:81093-37-0 DrugBank:DB00175 Drug_Central:2239 HMDB:HMDB0005022 KEGG:C01844 KEGG:D08410 KNApSAcK:C00000565 LINCS:LSM-3347 PMID:21749370 PMID:21851379 PMID:25264019 Reaxys:4825538 Wikipedia:Pravastatin (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid chebi_ontology (+)-(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(S)-2-methylbutyryl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthyl]heptanoic acid pravastatin pravastatin acid pravastatina pravastatine pravastatinum CHEBI:63618 pravastatin CAS:81093-37-0 ChemIDplus CAS:81093-37-0 KEGG COMPOUND Drug_Central:2239 DrugCentral PMID:21749370 Europe PMC PMID:21851379 Europe PMC PMID:25264019 Europe PMC Reaxys:4825538 Reaxys (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid IUPAC (+)-(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(S)-2-methylbutyryl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthyl]heptanoic acid ChEBI pravastatin ChemIDplus pravastatin acid ChEBI pravastatina ChemIDplus pravastatine ChemIDplus pravastatinum ChemIDplus A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias. 0 C12H20N2O3S InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N 272.36400 272.11946 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 CHEBI:9206 CAS:3930-20-9 DrugBank:DB00489 Drug_Central:2464 HMDB:HMDB0014632 KEGG:C07309 KEGG:D08525 LINCS:LSM-1465 PMID:20562595 PMID:21553267 PMID:21854895 Reaxys:2380820 Wikipedia:Sotalol N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide Sotalol chebi_ontology 4'-(1-hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide beta-cardone sotalol sotalolum CHEBI:63622 sotalol CAS:3930-20-9 ChemIDplus CAS:3930-20-9 KEGG COMPOUND Drug_Central:2464 DrugCentral PMID:20562595 Europe PMC PMID:21553267 Europe PMC PMID:21854895 Europe PMC Reaxys:2380820 Reaxys N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide IUPAC Sotalol KEGG_COMPOUND 4'-(1-hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide ChemIDplus beta-cardone ChemIDplus sotalol ChemIDplus sotalolum ChemIDplus An ammonium ion resulting from the protonation of the nitrogen of the secondary amino group of sotalol. +1 C12H21N2O3S InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/p+1 ZBMZVLHSJCTVON-UHFFFAOYSA-O 273.37200 273.12674 CC(C)[NH2+]CC(O)c1ccc(NS(C)(=O)=O)cc1 Reaxys:6417063 N-(2-hydroxy-2-{4-[(methylsulfonyl)amino]phenyl}ethyl)propan-2-aminium chebi_ontology CHEBI:63647 sotalol(1+) Reaxys:6417063 Reaxys N-(2-hydroxy-2-{4-[(methylsulfonyl)amino]phenyl}ethyl)propan-2-aminium IUPAC A 3-hydroxy carboxylic acid that is (3R,5R)-3,5-dihydroxyheptanoic acid in which one of the methyl hydrogens is substituted by a (1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl group. 0 C18H28O6 InChI=1S/C18H28O6/c1-10-2-3-11-6-13(20)8-16(22)18(11)15(10)5-4-12(19)7-14(21)9-17(23)24/h2-3,6,10,12-16,18-22H,4-5,7-9H2,1H3,(H,23,24)/t10-,12+,13+,14+,15-,16-,18-/m0/s1 ZDADMCPDUNEBIX-CGDZNSRRSA-N 340.41130 340.18859 [H][C@]12[C@@H](O)C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid chebi_ontology CHEBI:63655 (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid IUPAC A monocarboxylic acid anion resulting from the deprotonation of the carboxylic acid group of pravastatin. -1 C23H35O7 InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1 TUZYXOIXSAXUGO-PZAWKZKUSA-M 423.51980 423.23883 [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate chebi_ontology pravastatin CHEBI:63660 pravastatin(1-) (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate IUPAC pravastatin UniProt A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6. 0 C9H7Cl2N5 InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) PYZRQGJRPPTADH-UHFFFAOYSA-N 256.09100 255.00785 Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl CAS:84057-84-1 DrugBank:DB00555 Drug_Central:1540 HMDB:HMDB0014695 KEGG:D00354 LINCS:LSM-4104 PMID:19430925 PMID:20825390 PMID:21242744 Reaxys:7589268 Wikipedia:Lamotrigine 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine chebi_ontology 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine Lamictal lamotrigina lamotrigine lamotriginum CHEBI:6367 lamotrigine CAS:84057-84-1 ChemIDplus CAS:84057-84-1 KEGG DRUG CAS:84057-84-1 NIST Chemistry WebBook Drug_Central:1540 DrugCentral PMID:19430925 Europe PMC PMID:20825390 Europe PMC PMID:21242744 Europe PMC Reaxys:7589268 Reaxys 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine IUPAC 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine ChemIDplus Lamictal KEGG_DRUG lamotrigina ChemIDplus lamotrigine ChemIDplus lamotriginum ChemIDplus An erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3. +1 C36H66NO12 InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 CLQUUOKNEOQBSW-KEGKUKQHSA-O 704.90870 704.45795 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C chebi_ontology erythromycin D erythromycin D(+1) CHEBI:63677 erythromycin D(1+) erythromycin D UniProt erythromycin D(+1) ChEBI Any compound that can be used for the treatment of neurodegenerative disorders. chebi_ontology neuroprotectant neuroprotectants neuroprotective agents CHEBI:63726 neuroprotective agent neuroprotectant ChEBI neuroprotectants ChEBI neuroprotective agents ChEBI Any alcohol in which two hydroxy groups are bonded to the same atom. chebi_ontology 1,1-diols gem-diol gem-diols geminal diol geminal diols CHEBI:63732 1,1-diol 1,1-diols ChEBI gem-diol ChEBI gem-diols ChEBI geminal diol ChEBI geminal diols ChEBI A 1,1-diol resulting from the formal addition of water to the carbonyl group of a aldehyde. 0 CH3O2R 47.033 47.01330 [H]C(O)(O)[*] chebi_ontology aldehyde hydrates CHEBI:63733 aldehyde hydrate aldehyde hydrates ChEBI An agonist that selectively binds to and activates a retinoid X receptor. Wikipedia:Retinoid_X_receptor chebi_ontology retinoid X receptor agonists CHEBI:63794 retinoid X receptor agonist retinoid X receptor agonists ChEBI A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of pivalic acid. -1 C5H9O2 InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)/p-1 IUGYQRQAERSCNH-UHFFFAOYSA-M 101.12380 101.06080 CC(C)(C)C([O-])=O Reaxys:3601483 2,2-dimethylpropanoate chebi_ontology 2,2-dimethylpropionate alpha,alpha-dimethylpropanoate alpha,alpha-dimethylpropionate neopentanoate trimethylacetate CHEBI:63894 pivalate Reaxys:3601483 Reaxys 2,2-dimethylpropanoate IUPAC 2,2-dimethylpropionate ChEBI alpha,alpha-dimethylpropanoate ChEBI alpha,alpha-dimethylpropionate ChEBI neopentanoate ChEBI trimethylacetate ChEBI A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions. 0 C6H14O2 InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 POAOYUHQDCAZBD-UHFFFAOYSA-N 118.17420 118.09938 CCCCOCCO CAS:111-76-2 HMDB:HMDB0031327 KEGG:C19355 PMID:15371241 PMID:15705494 PMID:22330932 PMID:9372852 PPDB:1364 Patent:US2448767 Reaxys:1732511 Wikipedia:2-Butoxyethanol 2-butoxyethanol chebi_ontology 2-hydroxyethyl n-butyl ether 3-oxa-1-heptanol BuOCH2CH2OH O-butyl ethylene glycol butoxyethanol butyl cellosolve butyl glycol butyl oxitol ethylene glycol butyl ether ethylene glycol mono-n-butyl ether ethylene glycol monobutyl ether glycol butyl ether n-butoxyethanol CHEBI:63921 2-butoxyethanol CAS:111-76-2 ChemIDplus CAS:111-76-2 KEGG COMPOUND CAS:111-76-2 NIST Chemistry WebBook PMID:15371241 Europe PMC PMID:15705494 Europe PMC PMID:22330932 Europe PMC PMID:9372852 Europe PMC Reaxys:1732511 Reaxys 2-butoxyethanol IUPAC 2-hydroxyethyl n-butyl ether NIST_Chemistry_WebBook 3-oxa-1-heptanol ChemIDplus BuOCH2CH2OH ChEBI O-butyl ethylene glycol ChemIDplus butoxyethanol ChemIDplus butyl cellosolve ChemIDplus butyl glycol NIST_Chemistry_WebBook butyl oxitol ChemIDplus ethylene glycol butyl ether NIST_Chemistry_WebBook ethylene glycol mono-n-butyl ether ChemIDplus ethylene glycol monobutyl ether ChEBI glycol butyl ether ChemIDplus n-butoxyethanol ChemIDplus A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H). 0 C12X10 144.12840 144.00000 *c1c(*)c(*)c(c(*)c1*)-c1c(*)c(*)c(*)c(*)c1* CAS:11097-69-1 PMID:19486918 PMID:19772856 PMID:19945719 PMID:21476350 PMID:21613298 PMID:21664404 PMID:21748531 PMID:21856390 PMID:21937113 PMID:22013134 PMID:22044768 PMID:22082211 PMID:22094459 PMID:22298839 Reaxys:8188376 chebi_ontology Chlorierte biphenyle, chlorgehalt 54% Chlorodiphenyl (54% Chlorine) Diphenyle chlore, 54% de chlore Polychlorobiphenyls (54% chlorine) CHEBI:63933 Aroclor 1254 CAS:11097-69-1 ChemIDplus PMID:19486918 Europe PMC PMID:19772856 Europe PMC PMID:19945719 Europe PMC PMID:21476350 Europe PMC PMID:21613298 Europe PMC PMID:21664404 Europe PMC PMID:21748531 Europe PMC PMID:21856390 Europe PMC PMID:21937113 Europe PMC PMID:22013134 Europe PMC PMID:22044768 Europe PMC PMID:22082211 Europe PMC PMID:22094459 Europe PMC PMID:22298839 Europe PMC Reaxys:8188376 Reaxys Chlorierte biphenyle, chlorgehalt 54% ChemIDplus Chlorodiphenyl (54% Chlorine) ChemIDplus Diphenyle chlore, 54% de chlore ChemIDplus Polychlorobiphenyls (54% chlorine) ChemIDplus Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule. CHEBI:50333 chebi_ontology macrocyclic lactones CHEBI:63944 macrocyclic lactone macrocyclic lactones ChEBI A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes. 0 C41H72O9 InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1 PGHMRUGBZOYCAA-ADZNBVRBSA-N 709.00500 708.51763 [H][C@]1(CC[C@](C)(O1)[C@@]1([H])CC[C@](C)(O1)[C@@H](C)O)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C\C[C@@H](C)C[C@@H](C)C(\O)=C\C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O CAS:56092-81-0 PMID:19079959 PMID:19496091 Patent:US3873693 Reaxys:3642126 (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid chebi_ontology CHEBI:63954 ionomycin CAS:56092-81-0 ChemIDplus PMID:19079959 Europe PMC PMID:19496091 Europe PMC Reaxys:3642126 Reaxys (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid IUPAC An pathway inhibitor that inhibits the synthesis of cellulose. chebi_ontology cellulose biosynthesis inhibitor cellulose biosynthesis inhibitors cellulose synthesis inhibitors CHEBI:63958 cellulose synthesis inhibitor cellulose biosynthesis inhibitor ChEBI cellulose biosynthesis inhibitors ChEBI cellulose synthesis inhibitors ChEBI An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90. PMID:19860732 PMID:19946660 PMID:22035754 PMID:22920907 PMID:22959035 PMID:23160336 PMID:23312026 Wikipedia:Hsp90_inhibitors chebi_ontology Hsp90 inhibitors heat shock protein 90 inhibitor heat shock protein 90 inhibitors CHEBI:63962 Hsp90 inhibitor PMID:19860732 Europe PMC PMID:19946660 Europe PMC PMID:22035754 Europe PMC PMID:22920907 Europe PMC PMID:22959035 Europe PMC PMID:23160336 Europe PMC PMID:23312026 Europe PMC Hsp90 inhibitors ChEBI heat shock protein 90 inhibitor ChEBI heat shock protein 90 inhibitors ChEBI Any fatty acid carrying one or more hydroperoxy substituents. chebi_ontology hydroperoxy fatty acids CHEBI:64009 hydroperoxy fatty acid hydroperoxy fatty acids ChEBI A fatty acid anion that is the conjugate base of any hydroperoxy fatty acid, formed by deprotonation of the carboxylic acid moiety. chebi_ontology hydroperoxy fatty acid anions CHEBI:64012 hydroperoxy fatty acid anion hydroperoxy fatty acid anions ChEBI An agonist that selectively binds to and activates a protein kinase C receptor chebi_ontology protein kinase C agonists CHEBI:64018 protein kinase C agonist protein kinase C agonists ChEBI A member of the class of benzamides resulting from the formal condensation of the carboxy group of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with the primary amino group of 2-(aminomethyl)-1-ethylpyrrolidine. It is a potent, selective dopamine D2 and D3 receptor antagonist. It is an atypical antipsychotic/antischizophrenic agent with limited extrapyrimidal side effects. 0 C17H27N3O4S InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N 369.47900 369.17223 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC CAS:71675-85-9 DrugBank:DB06288 Drug_Central:179 HMDB:HMDB0015633 KEGG:D07310 LINCS:LSM-1669 PMID:21176108 PMID:21647545 PMID:21663752 PMID:21746752 PMID:21822161 PMID:21845006 PMID:21852060 PMID:21886905 PMID:21888613 PMID:21969105 PMID:22035899 PMID:22059694 PMID:22121864 PMID:22241281 PMID:22250612 Patent:BE872585 Patent:US4401822 Reaxys:6876191 Wikipedia:Amisulpride 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide chebi_ontology 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-o-anisamide Aminosultopride amisulprida amisulpride amisulpridum CHEBI:64045 amisulpride CAS:71675-85-9 ChemIDplus Drug_Central:179 DrugCentral PMID:21176108 Europe PMC PMID:21647545 Europe PMC PMID:21663752 Europe PMC PMID:21746752 Europe PMC PMID:21822161 Europe PMC PMID:21845006 Europe PMC PMID:21852060 Europe PMC PMID:21886905 Europe PMC PMID:21888613 Europe PMC PMID:21969105 Europe PMC PMID:22035899 Europe PMC PMID:22059694 Europe PMC PMID:22121864 Europe PMC PMID:22241281 Europe PMC PMID:22250612 Europe PMC Reaxys:6876191 Reaxys 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide IUPAC 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide ChemIDplus 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-o-anisamide ChemIDplus Aminosultopride DrugBank amisulprida ChemIDplus amisulpride KEGG_DRUG amisulpridum ChemIDplus Any substance which is added to food to preserve or enhance its flavour and/or appearance. Wikipedia:Food_additive chebi_ontology food additives CHEBI:64047 food additive food additives ChEBI A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. Wikipedia:Acidity_regulator chebi_ontology acidity regulator acidity regulators food acidity regulators pH control agent pH control agents CHEBI:64049 food acidity regulator acidity regulator ChEBI acidity regulators ChEBI food acidity regulators ChEBI pH control agent ChEBI pH control agents ChEBI chebi_ontology CHEBI:64054 delta-opioid receptor agonist A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3. 0 C13H18N2O2 InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N 234.29420 234.13683 O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1 CAS:2164-08-1 KEGG:C11200 PMID:10552732 PMID:24018142 PMID:4852033 PPDB:417 Pesticides:lenacil Reaxys:751331 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione chebi_ontology 3-cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione 3-cyclohexyl-5,6-trimethyleneuracil CHEBI:6407 lenacil CAS:2164-08-1 ChemIDplus CAS:2164-08-1 KEGG COMPOUND PMID:10552732 Europe PMC PMID:24018142 Europe PMC PMID:4852033 Europe PMC Pesticides:lenacil Alan Wood's Pesticides Reaxys:751331 Reaxys 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione IUPAC 3-cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione Alan_Wood's_Pesticides 3-cyclohexyl-5,6-trimethyleneuracil ChEBI An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. 0 C4H10O2 InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3 CIHOLLKRGTVIJN-UHFFFAOYSA-N 90.12100 90.06808 CC(C)(C)OO Beilstein:1098280 CAS:75-91-2 PMID:21418283 PMID:22037478 PMID:22039964 PMID:22326806 PMID:22337620 PMID:22369679 Reaxys:1098280 Wikipedia:Tert-Butyl_hydroperoxide tert-butyl hydroperoxide chebi_ontology 1,1-Dimethylethyl hydroperoxide 2-Hydroperoxy-2-methylpropane Dimethylethyl hydroperoxide Hydroperoxyde de butyle tertiaire TBHP Tertiary-butyl hydroperoxide t-Butylhydroperoxide t-butyl hydroperoxide tert-Butylhydroperoxide CHEBI:64090 tert-butyl hydroperoxide Beilstein:1098280 ChemIDplus CAS:75-91-2 ChemIDplus CAS:75-91-2 NIST Chemistry WebBook PMID:21418283 Europe PMC PMID:22037478 Europe PMC PMID:22039964 Europe PMC PMID:22326806 Europe PMC PMID:22337620 Europe PMC PMID:22369679 Europe PMC Reaxys:1098280 Reaxys tert-butyl hydroperoxide IUPAC tert-butyl hydroperoxide UniProt 1,1-Dimethylethyl hydroperoxide ChemIDplus 2-Hydroperoxy-2-methylpropane ChemIDplus Dimethylethyl hydroperoxide NIST_Chemistry_WebBook Hydroperoxyde de butyle tertiaire NIST_Chemistry_WebBook TBHP ChEBI Tertiary-butyl hydroperoxide NIST_Chemistry_WebBook t-Butylhydroperoxide NIST_Chemistry_WebBook t-butyl hydroperoxide ChEBI tert-Butylhydroperoxide ChemIDplus An agonist that selectively binds to and activates a protein kinase receptor. chebi_ontology protein kinase agonists CHEBI:64106 protein kinase agonist protein kinase agonists ChEBI An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group. Wikipedia:Farnesyltransferase chebi_ontology EC 2.5.1.58 (protein farnesyltransferase) inhibitors EC 2.5.1.58 inhibitor EC 2.5.1.58 inhibitors FTase inhibitor FTase inhibitors farnesyl transferase inhibitor farnesyl transferase inhibitors farnesyl-diphosphate:protein-cysteine farnesyltransferase inhibitor farnesyl-diphosphate:protein-cysteine farnesyltransferase inhibitors farnesyltransferase inhibitor farnesyltransferase inhibitors protein farnesyltransferase (EC 2.5.1.58) inhibitor protein farnesyltransferase (EC 2.5.1.58) inhibitors protein farnesyltransferase inhibitor protein farnesyltransferase inhibitors CHEBI:64133 EC 2.5.1.58 (protein farnesyltransferase) inhibitor EC 2.5.1.58 (protein farnesyltransferase) inhibitors ChEBI EC 2.5.1.58 inhibitor ChEBI EC 2.5.1.58 inhibitors ChEBI FTase inhibitor ChEBI FTase inhibitors ChEBI farnesyl transferase inhibitor ChEBI farnesyl transferase inhibitors ChEBI farnesyl-diphosphate:protein-cysteine farnesyltransferase inhibitor ChEBI farnesyl-diphosphate:protein-cysteine farnesyltransferase inhibitors ChEBI farnesyltransferase inhibitor ChEBI farnesyltransferase inhibitors ChEBI protein farnesyltransferase (EC 2.5.1.58) inhibitor ChEBI protein farnesyltransferase (EC 2.5.1.58) inhibitors ChEBI protein farnesyltransferase inhibitor ChEBI protein farnesyltransferase inhibitors ChEBI Any protease inhibitor that restricts the action of a cysteine protease. chebi_ontology cysteine protease inhibitors cysteine proteinase inhibitor cysteine proteinase inhibitors CHEBI:64152 cysteine protease inhibitor cysteine protease inhibitors ChEBI cysteine proteinase inhibitor ChEBI cysteine proteinase inhibitors ChEBI The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide. +2 C12H12N2 InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2 SYJFEGQWDCRVNX-UHFFFAOYSA-N 184.23710 184.09895 C1C[n+]2ccccc2-c2cccc[n+]12 CAS:2764-72-9 KEGG:C18577 PPDB:1541 Reaxys:3670526 Wikipedia:Diquat 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium chebi_ontology 1,1'-Ethylene-2,2'-bipyridyldylium ion 1,1'-Ethylene-2,2'-bipyridylium ion 9,10-Dihydro-8a,10a-diazoniaphenanthrene Diquat dication CHEBI:64163 diquat CAS:2764-72-9 ChemIDplus CAS:2764-72-9 KEGG COMPOUND Reaxys:3670526 Reaxys 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium IUPAC 1,1'-Ethylene-2,2'-bipyridyldylium ion ChemIDplus 1,1'-Ethylene-2,2'-bipyridylium ion ChemIDplus 9,10-Dihydro-8a,10a-diazoniaphenanthrene ChemIDplus Diquat dication ChemIDplus An organic sodium salt that is the monosodium salt of glutamic acid. monosodium glutamate http://langual.org 0 C5H8NNaO4 InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1 LPUQAYUQRXPFSQ-UHFFFAOYSA-M 169.11110 169.03510 [Na+].[NH3+]C(CCC([O-])=O)C([O-])=O Codex::621 Europe::621 PMID:22293291 Reaxys:17003240 http://www.langual.org/langual_thesaurus.asp?termid=B1652 sodium 2-azaniumylpentanedioate chebi_ontology MSG sodium 2-ammoniopentanedioate sodium glutamate monosodium l-glutamate msg sodium glutamate CHEBI:64220 LanguaL term definition: Food additive; technological purpose(s): flavour enhancer. monosodium glutamate PMID:22293291 Europe PMC Reaxys:17003240 Reaxys sodium 2-azaniumylpentanedioate IUPAC MSG SUBMITTER sodium 2-ammoniopentanedioate IUPAC sodium glutamate SUBMITTER A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 11-methyldodec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C36H58N4O16 InChI=1S/C36H58N4O16/c1-17(2)11-9-7-5-4-6-8-10-12-22(44)38-25-29(49)26(46)20(53-35(25)56-34-24(37-18(3)42)28(48)27(47)21(16-41)54-34)15-19(43)32-30(50)31(51)33(55-32)40-14-13-23(45)39-36(40)52/h10,12-14,17,19-21,24-35,41,43,46-51H,4-9,11,15-16H2,1-3H3,(H,37,42)(H,38,44)(H,39,45,52)/b12-10+/t19-,20-,21-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34-,35+/m1/s1 FIIRBPHYBLFBSD-MZPZZZQLSA-N 802.86290 802.38478 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-11-methyldodec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(11-methyldodec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin I CHEBI:64228 tunicamycin A0 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-11-methyldodec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(11-methyldodec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin I ChEBI An EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor that interferes with the action of any UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15), preventing formation of N-acetylglucosamine lipid intermediates and glycosylation of newly synthesised glycoproteins. chebi_ontology EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitors EC 2.7.8.15 inhibitor EC 2.7.8.15 inhibitors GlcNAc-1-P transferase inhibitor GlcNAc-1-P transferase inhibitors N-acetylglucosamine phosphotransferase inhibitor N-acetylglucosamine transferase inhibitors N-acetylglucosamine-1-phosphate transferase inhibitor N-acetylglucosamine-1-phosphate transferase inhibitors UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitor UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitors UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitor UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitors UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitor UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitors UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitor UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitors UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitor UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitors UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitor UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitors UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitor UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitors UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitor UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitors chitobiosylpyrophosphoryldolichol synthase inhibitor chitobiosylpyrophosphoryldolichol synthase inhibitors dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitor dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitors uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitor uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitors CHEBI:64237 EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitors ChEBI EC 2.7.8.15 inhibitor ChEBI EC 2.7.8.15 inhibitors ChEBI GlcNAc-1-P transferase inhibitor ChEBI GlcNAc-1-P transferase inhibitors ChEBI N-acetylglucosamine phosphotransferase inhibitor ChEBI N-acetylglucosamine transferase inhibitors ChEBI N-acetylglucosamine-1-phosphate transferase inhibitor ChEBI N-acetylglucosamine-1-phosphate transferase inhibitors ChEBI UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitor ChEBI UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitors ChEBI UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitor ChEBI UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitors ChEBI UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitor ChEBI UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitors ChEBI UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitor ChEBI UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitors ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitor ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitors ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitor ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitors ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitor ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitors ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitor ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitors ChEBI chitobiosylpyrophosphoryldolichol synthase inhibitor ChEBI chitobiosylpyrophosphoryldolichol synthase inhibitors ChEBI dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitor ChEBI dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitors ChEBI uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitor ChEBI uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitors ChEBI An optically active form of monosodium glutamate having L-configuration. 0 C5H8NNaO4 InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1 LPUQAYUQRXPFSQ-DFWYDOINSA-M 169.11110 169.03510 [Na+].[NH3+][C@@H](CCC([O-])=O)C([O-])=O CAS:142-47-2 PMID:21054690 PMID:21925279 PMID:22008743 PMID:22104770 PMID:22154980 PMID:22204889 PMID:22222358 PMID:22223845 PMID:22245354 PMID:22248457 PMID:22286833 PMID:22293291 PMID:22307498 PMID:22346139 PMID:22415589 Reaxys:17456768 Wikipedia:Monosodium_glutamate sodium (2S)-2-azaniumylpentanedioate chebi_ontology Glutamate Sodium Glutamate monosodium salt Glutamic acid, monosodium salt Glutammato monosodico L(+) Sodium glutamate MSG Monosodioglutammato Monosodium glutamate Natrium L-hydrogenglutamat Natriumglutaminat Sodium L-glutamate Sodium glutamate Sodium hydrogen glutamate sodium (2S)-2-ammoniopentanedioate CHEBI:64243 monosodium L-glutamate CAS:142-47-2 ChemIDplus PMID:21054690 Europe PMC PMID:21925279 Europe PMC PMID:22008743 Europe PMC PMID:22104770 Europe PMC PMID:22154980 Europe PMC PMID:22204889 Europe PMC PMID:22222358 Europe PMC PMID:22223845 Europe PMC PMID:22245354 Europe PMC PMID:22248457 Europe PMC PMID:22286833 Europe PMC PMID:22293291 Europe PMC PMID:22307498 Europe PMC PMID:22346139 Europe PMC PMID:22415589 Europe PMC Reaxys:17456768 Reaxys sodium (2S)-2-azaniumylpentanedioate IUPAC Glutamate Sodium ChemIDplus Glutamate monosodium salt ChemIDplus Glutamic acid, monosodium salt ChemIDplus Glutammato monosodico ChemIDplus L(+) Sodium glutamate ChemIDplus MSG ChemIDplus Monosodioglutammato ChemIDplus Monosodium glutamate ChemIDplus Natrium L-hydrogenglutamat ChemIDplus Natriumglutaminat ChemIDplus Sodium L-glutamate ChemIDplus Sodium glutamate ChemIDplus Sodium hydrogen glutamate ChemIDplus sodium (2S)-2-ammoniopentanedioate IUPAC An optically active form of monosodium glutamate having D-configuration. 0 C5H8NNaO4 InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m1./s1 LPUQAYUQRXPFSQ-AENDTGMFSA-M 169.11110 169.03510 [Na+].[NH3+][C@H](CCC([O-])=O)C([O-])=O PMID:8670713 sodium (2R)-2-azaniumylpentanedioate chebi_ontology CHEBI:64244 monosodium D-glutamate PMID:8670713 Europe PMC sodium (2R)-2-azaniumylpentanedioate IUPAC A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 12-methyltridec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C37H60N4O16 InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1 YJQCOFNZVFGCAF-LLXUUZRASA-N 816.88950 816.40043 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 Reaxys:8183793 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(12-methyltridec-2-enamido)-beta-D-galactopyranos-6-yl]uridine tunicamycin A1 chebi_ontology tunicamycin C tunicamycin II CHEBI:64245 tunicamycin A1 PMID:7061468 Europe PMC Reaxys:8183793 Reaxys (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(12-methyltridec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin A1 UniProt tunicamycin C ChEBI tunicamycin II ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a tetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C37H60N4O16 InChI=1S/C37H60N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(2)43)29(49)28(48)22(18-42)55-35)17-20(44)33-31(51)32(52)34(56-33)41-16-15-24(46)40-37(41)53/h13-16,20-22,25-36,42,44,47-52H,3-12,17-18H2,1-2H3,(H,38,43)(H,39,45)(H,40,46,53)/b14-13+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1 MMDMXWRRAOLMDC-ZNZAGFTISA-N 816.88950 816.40043 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]tetradec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(tetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin III CHEBI:64246 tunicamycin A2 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]tetradec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(tetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin III ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a pentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C38H62N4O16 InChI=1S/C38H62N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(2)44)30(50)29(49)23(19-43)56-36)18-21(45)34-32(52)33(53)35(57-34)42-17-16-25(47)41-38(42)54/h14-17,21-23,26-37,43,45,48-53H,3-13,18-19H2,1-2H3,(H,39,44)(H,40,46)(H,41,47,54)/b15-14+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 QYVMTFXNKNWWFX-YGTZKZKGSA-N 830.91610 830.41608 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]pentadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(pentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin IV CHEBI:64248 tunicamycin B1 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]pentadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(pentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin IV ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 13-methyltetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C38H62N4O16 InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 MEYZYGMYMLNUHJ-DIRMKAHISA-N 830.91610 830.41608 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 Reaxys:5711197 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin A tunicamycin V CHEBI:64250 tunicamycin B2 PMID:7061468 Europe PMC Reaxys:5711197 Reaxys (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin A ChEBI tunicamycin V ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 13-methyltetradecanoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C38H64N4O16 InChI=1S/C38H64N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h15-16,19,21-23,26-37,43,45,48-53H,4-14,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 XAFNQFHOQPRGAK-KTVOANSYSA-N 832.93200 832.43173 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradecanamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradecanamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin VI CHEBI:64255 tunicamycin B3 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradecanamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradecanamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin VI ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 14-methylpentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C39H64N4O16 InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 ZOCXUHJGZXXIGQ-NPXWYGMKSA-N 844.94270 844.43173 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CAS:66081-36-5 Chemspider:27471426 MetaCyc:CPD-19373 PMID:29844049 PMID:29973921 PMID:30445836 PMID:33636028 PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-14-methylpentadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(14-methylpentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology corynetoxin U-16I tunicamycin B tunicamycin VII CHEBI:64256 tunicamycin C1 CAS:66081-36-5 ChemIDplus PMID:29844049 Europe PMC PMID:29973921 Europe PMC PMID:30445836 Europe PMC PMID:33636028 Europe PMC PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-14-methylpentadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(14-methylpentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC corynetoxin U-16I ChemIDplus tunicamycin B ChEBI tunicamycin VII ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a hexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C39H64N4O16 InChI=1S/C39H64N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(2)45)31(51)30(50)24(20-44)57-37)19-22(46)35-33(53)34(54)36(58-35)43-18-17-26(48)42-39(43)55/h15-18,22-24,27-38,44,46,49-54H,3-14,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48,55)/b16-15+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 NKDRZEIENXWUCE-VDIUWDQWSA-N 844.94270 844.43173 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]hexadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(hexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology CHEBI:64257 tunicamycin C2 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]hexadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(hexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC An erythromycin cation that is the conjugate acid of erythromycin C, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; major species at pH 7.3. +1 C36H66NO13 InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 MWFRKHPRXPSWNT-QNPWSHAKSA-O 720.90810 720.45287 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O KEGG:C06616 MetaCyc:CPD-13951 PMID:7849045 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione chebi_ontology erythromycin C erythromycin C cation CHEBI:64258 erythromycin C(1+) KEGG:C06616 SUBMITTER MetaCyc:CPD-13951 SUBMITTER PMID:7849045 SUBMITTER (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC erythromycin C UniProt erythromycin C cation ChEBI An erythromycin cation that is the conjugate acid of erythromycin A, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; major species at pH 7.3. +1 C37H68NO13 InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-O 734.93470 734.46852 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O MetaCyc:CPD-13804 chebi_ontology erythromycin A erythromycin A cation CHEBI:64268 erythromycin A(1+) MetaCyc:CPD-13804 SUBMITTER erythromycin A UniProt erythromycin A cation ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a heptadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C40H66N4O16 InChI=1S/C40H66N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(2)46)32(52)31(51)25(21-45)58-38)20-23(47)36-34(54)35(55)37(59-36)44-19-18-27(49)43-40(44)56/h16-19,23-25,28-39,45,47,50-55H,3-15,20-21H2,1-2H3,(H,41,46)(H,42,48)(H,43,49,56)/b17-16+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1 DYGXSHBNTGWENQ-YTXMDVFISA-N 858.96920 858.44738 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]heptadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(heptadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology CHEBI:64271 tunicamycin D1 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]heptadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(heptadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 15-methylhexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C40H66N4O16 InChI=1S/C40H66N4O16/c1-21(2)15-13-11-9-7-5-4-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1 XCEPHNBEHQJSSB-LGJGITPNSA-N 858.96920 858.44738 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-15-methylhexadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(15-methylhexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology CHEBI:64272 tunicamycin D2 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-15-methylhexadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(15-methylhexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. 0 C36H65NO13 InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 MWFRKHPRXPSWNT-QNPWSHAKSA-N 719.90020 719.44559 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O CAS:1675-02-1 KEGG:C06616 LIPID_MAPS_instance:LMPK04000009 MetaCyc:CPD-13951 PMID:15530995 PMID:15870344 PMID:4587460 PMID:4995842 Patent:US5476843 Reaxys:75000 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione chebi_ontology 3''-O-Demethylerythromycin CHEBI:64273 erythromycin C CAS:1675-02-1 ChemIDplus LIPID_MAPS_instance:LMPK04000009 LIPID MAPS PMID:15530995 Europe PMC PMID:15870344 Europe PMC PMID:4587460 Europe PMC PMID:4995842 Europe PMC Reaxys:75000 Reaxys (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC 3''-O-Demethylerythromycin ChemIDplus A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. 0 C5H8O2 InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 SXRSQZLOMIGNAQ-UHFFFAOYSA-N 100.11580 100.05243 O=CCCCC=O CHEBI:45072 Beilstein:605390 CAS:111-30-8 Drug_Central:3267 HMDB:HMDB0029599 KEGG:C12518 KEGG:D01120 PDBeChem:PTD PMID:10672649 PMID:11378863 PMID:22020189 PMID:22221459 PMID:22233542 PMID:22266295 PMID:22269730 PMID:22348538 PMID:22351440 PMID:24332617 PMID:7701454 PMID:9582689 PPDB:1567 Reaxys:605390 Wikipedia:Glutaraldehyde Glutaraldehyde pentanedial chebi_ontology 1,3-Diformylpropane 1,5-Pentanedial 1,5-Pentanedione Glutaral Glutardialdehyde Glutaric acid dialdehyde Glutaric dialdehyde PENTANEDIAL glutaral glutaralum CHEBI:64276 glutaraldehyde Beilstein:605390 Beilstein CAS:111-30-8 ChemIDplus CAS:111-30-8 KEGG COMPOUND CAS:111-30-8 NIST Chemistry WebBook Drug_Central:3267 DrugCentral PMID:10672649 Europe PMC PMID:11378863 Europe PMC PMID:22020189 Europe PMC PMID:22221459 Europe PMC PMID:22233542 Europe PMC PMID:22266295 Europe PMC PMID:22269730 Europe PMC PMID:22348538 Europe PMC PMID:22351440 Europe PMC PMID:24332617 Europe PMC PMID:7701454 Europe PMC PMID:9582689 Europe PMC Reaxys:605390 Reaxys Glutaraldehyde KEGG_COMPOUND pentanedial IUPAC 1,3-Diformylpropane ChemIDplus 1,5-Pentanedial KEGG_COMPOUND 1,5-Pentanedione NIST_Chemistry_WebBook Glutaral ChemIDplus Glutardialdehyde ChemIDplus Glutardialdehyde NIST_Chemistry_WebBook Glutaric acid dialdehyde ChemIDplus Glutaric dialdehyde ChemIDplus PENTANEDIAL PDBeChem glutaral ChemIDplus glutaralum ChemIDplus An organic cation obtained by protonation of any erythromycin. erythromycin cation chebi_ontology CHEBI:64290 erythromycin cation erythromycin cation ChEBI The calcium salt of cyanamide, formed when calcium carbide reacts with nitrogen 0 CCaN2 InChI=1S/CN2.Ca/c2-1-3;/q-2;+2 MYFXBBAEXORJNB-UHFFFAOYSA-N 80.10200 79.96874 [Ca++].[N-]=C=[N-] CAS:156-62-7 KEGG:C19113 KEGG:D03288 PPDB:2720 Reaxys:3690962 Wikipedia:Calcium_cyanamide calcium methanediylidenediazanide chebi_ontology Cyanamide calcique Cyanamide, calcium salt (1:1) Lime nitrogen Lime-nitrogen Nitrogen lime calcium carbimide carbimida calcica carbimide calcique methanediimine, calcium salt (1:1) CHEBI:64301 calcium cyanamide CAS:156-62-7 ChemIDplus CAS:156-62-7 KEGG COMPOUND Reaxys:3690962 Reaxys calcium methanediylidenediazanide IUPAC Cyanamide calcique ChemIDplus Cyanamide, calcium salt (1:1) ChemIDplus Lime nitrogen ChemIDplus Lime-nitrogen ChemIDplus Nitrogen lime ChemIDplus calcium carbimide ChemIDplus carbimida calcica ChemIDplus carbimide calcique ChemIDplus methanediimine, calcium salt (1:1) ChEBI An organic nitrogen anion formed from cyanamide by loss of its two protons. -2 CN2 InChI=1S/CN2/c2-1-3/q-2 YNPNDPSDUHYDEO-UHFFFAOYSA-N 40.02410 40.00725 [N-]=C=[N-] methanediylidenediazanide chebi_ontology CHEBI:64302 cyanamide(2-) methanediylidenediazanide IUPAC A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. 0 C11H17NO3 InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 JWZZKOKVBUJMES-UHFFFAOYSA-N 211.25760 211.12084 CC(C)NCC(O)c1ccc(O)c(O)c1 CAS:7683-59-2 DrugBank:DB01064 Drug_Central:1499 KEGG:C07056 KEGG:D08090 LINCS:LSM-4311 Patent:DE723278 Patent:US2308232 Reaxys:2213857 Wikipedia:Isoprenaline 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol Isoprenaline chebi_ontology (+-)-isoprenaline (+-)-isoproterenol 1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanol 1-(3,4-dihydroxyphenyl)-2-isopropylaminoethanol 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol N-isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine N-isopropylnoradrenaline N-isopropylnorepinephrine alpha-(isopropylaminomethyl)protocatechuyl alcohol isoprenalina isoprenaline isoprenalinum isopropyl noradrenaline isoproterenol CHEBI:64317 isoprenaline CAS:7683-59-2 ChemIDplus CAS:7683-59-2 KEGG COMPOUND CAS:7683-59-2 KEGG DRUG CAS:7683-59-2 NIST Chemistry WebBook Drug_Central:1499 DrugCentral Reaxys:2213857 Reaxys 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol IUPAC Isoprenaline KEGG_COMPOUND (+-)-isoprenaline ChemIDplus (+-)-isoproterenol ChemIDplus 1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanol ChemIDplus 1-(3,4-dihydroxyphenyl)-2-isopropylaminoethanol ChemIDplus 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol ChemIDplus N-isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine ChemIDplus N-isopropylnoradrenaline ChemIDplus N-isopropylnorepinephrine ChemIDplus alpha-(isopropylaminomethyl)protocatechuyl alcohol ChemIDplus isoprenalina ChemIDplus isoprenaline KEGG_DRUG isoprenaline WHO_MedNet isoprenalinum ChemIDplus isopropyl noradrenaline ChemIDplus isoproterenol ChemIDplus A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine. 0 C11H12N2S InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1 HLFSDGLLUJUHTE-SNVBAGLBSA-N 204.29100 204.07212 C1CN2C[C@@H](N=C2S1)c1ccccc1 CAS:14769-73-4 DrugBank:DB00848 Drug_Central:1561 HMDB:HMDB0014986 KEGG:C07070 KEGG:D08114 LINCS:LSM-6655 PMID:10701095 PMID:12232676 PMID:12749943 PMID:15109274 PMID:1618599 PMID:17608969 PMID:189006 PMID:2050823 PMID:22337783 PMID:22607692 PMID:23041983 PMID:23152411 PMID:23543977 PMID:23577329 PMID:23649929 PMID:23921349 PMID:24365689 PMID:24440755 PMID:365327 PMID:366135 PMID:366137 PMID:669135 PMID:6995092 PMID:6995094 PMID:7051554 PMID:827785 Patent:US3274209 Patent:US3565907 Patent:US3579530 Reaxys:4233256 VSDB:1798 Wikipedia:Levamisole (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole chebi_ontology (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole (-)-tetramisole (S)-(-)-levamisole (S)-(-)-tetramisole (S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole Ketrax Lepuron Levomysol Levovermax Totalon Wormicid levamisol levamisole levamisolum CHEBI:6432 levamisole CAS:14769-73-4 ChemIDplus CAS:14769-73-4 KEGG COMPOUND Drug_Central:1561 DrugCentral PMID:10701095 Europe PMC PMID:12232676 Europe PMC PMID:12749943 Europe PMC PMID:15109274 Europe PMC PMID:1618599 Europe PMC PMID:17608969 Europe PMC PMID:189006 Europe PMC PMID:2050823 Europe PMC PMID:22337783 Europe PMC PMID:22607692 Europe PMC PMID:23041983 Europe PMC PMID:23152411 Europe PMC PMID:23543977 Europe PMC PMID:23577329 Europe PMC PMID:23649929 Europe PMC PMID:23921349 Europe PMC PMID:24365689 Europe PMC PMID:24440755 Europe PMC PMID:365327 Europe PMC PMID:366135 Europe PMC PMID:366137 Europe PMC PMID:669135 Europe PMC PMID:6995092 Europe PMC PMID:6995094 Europe PMC PMID:7051554 Europe PMC PMID:827785 Europe PMC Reaxys:4233256 Reaxys (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole IUPAC (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole ChEBI (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole ChEBI (-)-tetramisole ChemIDplus (S)-(-)-levamisole ChemIDplus (S)-(-)-tetramisole ChEBI (S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole ChEBI Ketrax KEGG_DRUG Lepuron ChemIDplus Levomysol ChemIDplus Levovermax ChEBI Totalon ChEBI Wormicid ChemIDplus levamisol WHO_MedNet levamisole WHO_MedNet levamisolum WHO_MedNet A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material). PMID:15373456 Patent:EP2060919 Wikipedia:Matrix-assisted_laser_desorption/ionization#Matrix chebi_ontology 'matrix-assisted laser desorption/ionization' matrix material 'matrix-assisted laser desorption/ionization' matrix materials MALDI matrix materials MALDI matrix solution MALDI matrix solutions CHEBI:64345 MALDI matrix material PMID:15373456 Europe PMC 'matrix-assisted laser desorption/ionization' matrix material ChEBI 'matrix-assisted laser desorption/ionization' matrix materials ChEBI MALDI matrix materials ChEBI MALDI matrix solution ChEBI MALDI matrix solutions ChEBI An organic amino compound in which an aminoalkyl group is linked to an arene. chebi_ontology aralkylamino compounds CHEBI:64365 aralkylamino compound aralkylamino compounds ChEBI A pyrrolidinone and carboxamide that is N-methylpyrrolidin-2-one in which one of the methyl hydrogens is replaced by an aminocarbonyl group, while another is replaced by an ethyl group (the S enantiomer). An anticonvulsant, it is used for the treatment of epilepsy in both human and veterinary medicine. 0 C8H14N2O2 InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1 HPHUVLMMVZITSG-LURJTMIESA-N 170.20900 170.10553 CC[C@H](N1CCCC1=O)C(N)=O CAS:102767-28-2 DrugBank:DB01202 Drug_Central:1563 KEGG:C07841 KEGG:D00709 LINCS:LSM-5603 PMID:22119754 PMID:22321334 Reaxys:8407472 VSDB:2979 Wikipedia:Levetiracetam (2S)-2-(2-oxopyrrolidin-1-yl)butanamide Levetiracetam chebi_ontology (-)-(S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide (S)-(-)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide (S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide Keppra UCB-L 059 levetiracetam levetiracetamum CHEBI:6437 levetiracetam CAS:102767-28-2 ChemIDplus CAS:102767-28-2 KEGG COMPOUND Drug_Central:1563 DrugCentral PMID:22119754 Europe PMC PMID:22321334 Europe PMC Reaxys:8407472 Reaxys (2S)-2-(2-oxopyrrolidin-1-yl)butanamide IUPAC Levetiracetam KEGG_COMPOUND (-)-(S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide ChemIDplus (S)-(-)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide ChEBI (S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide ChemIDplus Keppra DrugBank UCB-L 059 ChemIDplus levetiracetam ChemIDplus levetiracetamum ChemIDplus A neurotransmitter transporter modulator that activates glutamate transporters. chebi_ontology excitatory amino-acid transporter activator excitatory amino-acid transporter activators glutamate transporter activators CHEBI:64370 glutamate transporter activator excitatory amino-acid transporter activator ChEBI excitatory amino-acid transporter activators ChEBI glutamate transporter activators ChEBI A membrane transport modulator that affects the transport of neurotransmitters. chebi_ontology neurotransmitter transporter modulators CHEBI:64371 neurotransmitter transporter modulator neurotransmitter transporter modulators ChEBI Any organic salt prepared using an organosulfonic acid as the acid component. chebi_ontology organosulfonate salts organosulphonate salt organosulphonate salts CHEBI:64382 organosulfonate salt organosulfonate salts ChEBI organosulphonate salt ChEBI organosulphonate salts ChEBI A cysteine protease inhibitor which inhibits cathepsin K (EC 3.4.22.38). Wikipedia:Cathepsin_K chebi_ontology EC 3.4.22.38 (cathepsin K) inhibitors EC 3.4.22.38 inhibitor EC 3.4.22.38 inhibitors cathepsin K (EC 3.4.22.38) inhibitor cathepsin K (EC 3.4.22.38) inhibitors cathepsin K inhibitor cathepsin K inhibitors cathepsin O inhibitor cathepsin O inhibitors cathepsin O2 inhibitor cathepsin O2 inhibitors cathepsin X inhibitor cathepsin X inhibitors CHEBI:64406 EC 3.4.22.38 (cathepsin K) inhibitor EC 3.4.22.38 (cathepsin K) inhibitors ChEBI EC 3.4.22.38 inhibitor ChEBI EC 3.4.22.38 inhibitors ChEBI cathepsin K (EC 3.4.22.38) inhibitor ChEBI cathepsin K (EC 3.4.22.38) inhibitors ChEBI cathepsin K inhibitor ChEBI cathepsin K inhibitors ChEBI cathepsin O inhibitor ChEBI cathepsin O inhibitors ChEBI cathepsin O2 inhibitor ChEBI cathepsin O2 inhibitors ChEBI cathepsin X inhibitor ChEBI cathepsin X inhibitors ChEBI An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of geranylgeranyl diphosphate synthase (EC 2.5.1.29). Patent:EP1280891 Patent:US2002004218 chebi_ontology (2E,6E)-farnesyl-diphosphate:isopentenyl-diphosphate farnesyltranstransferase inhibitor (2E,6E)-farnesyl-diphosphate:isopentenyl-diphosphate farnesyltranstransferase inhibitors EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitors EC 2.5.1.29 inhibitor EC 2.5.1.29 inhibitors GGPP synthase inhibitor GGPP synthase inhibitors farnesyltransferase inhibitor farnesyltransferase inhibitors geranylgeranyl diphosphate synthase (EC 2.5.1.29) inhibitor geranylgeranyl diphosphate synthase (EC 2.5.1.29) inhibitors geranylgeranyl diphosphate synthase inhibitor geranylgeranyl diphosphate synthase inhibitors geranylgeranyl pyrophosphate synthase inhibitor geranylgeranyl pyrophosphate synthase inhibitors geranylgeranyl pyrophosphate synthetase inhibitor geranylgeranyl pyrophosphate synthetase inhibitors geranylgeranyl-PP synthetase inhibitor geranylgeranyl-PP synthetase inhibitors CHEBI:64411 EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor (2E,6E)-farnesyl-diphosphate:isopentenyl-diphosphate farnesyltranstransferase inhibitor ChEBI (2E,6E)-farnesyl-diphosphate:isopentenyl-diphosphate farnesyltranstransferase inhibitors ChEBI EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitors ChEBI EC 2.5.1.29 inhibitor ChEBI EC 2.5.1.29 inhibitors ChEBI GGPP synthase inhibitor ChEBI GGPP synthase inhibitors ChEBI farnesyltransferase inhibitor ChEBI farnesyltransferase inhibitors ChEBI geranylgeranyl diphosphate synthase (EC 2.5.1.29) inhibitor ChEBI geranylgeranyl diphosphate synthase (EC 2.5.1.29) inhibitors ChEBI geranylgeranyl diphosphate synthase inhibitor ChEBI geranylgeranyl diphosphate synthase inhibitors ChEBI geranylgeranyl pyrophosphate synthase inhibitor ChEBI geranylgeranyl pyrophosphate synthase inhibitors ChEBI geranylgeranyl pyrophosphate synthetase inhibitor ChEBI geranylgeranyl pyrophosphate synthetase inhibitors ChEBI geranylgeranyl-PP synthetase inhibitor ChEBI geranylgeranyl-PP synthetase inhibitors ChEBI An EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of arogenate dehydrogenase (EC 1.3.1.43). Wikipedia:Arogenate_dehydrogenase chebi_ontology EC 1.3.1.43 (arogenate dehydrogenase) inhibitors EC 1.3.1.43 inhibitor EC 1.3.1.43 inhibitors L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitor L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitors L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitor L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitors L-arogenate:NAD+ oxidoreductase inhibitor L-arogenate:NAD+ oxidoreductase inhibitors TyrA(a) inhibitor TyrA(a) inhibitors arogenate dehydrogenase (EC 1.3.1.43) inhibitor arogenate dehydrogenase (EC 1.3.1.43) inhibitors arogenate dehydrogenase inhibitor arogenate dehydrogenase inhibitors cyclohexadienyl dehydrogenase inhibitor cyclohexadienyl dehydrogenase inhibitors CHEBI:64416 EC 1.3.1.43 (arogenate dehydrogenase) inhibitor EC 1.3.1.43 (arogenate dehydrogenase) inhibitors ChEBI EC 1.3.1.43 inhibitor ChEBI EC 1.3.1.43 inhibitors ChEBI L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitor ChEBI L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitors ChEBI L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitor ChEBI L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitors ChEBI L-arogenate:NAD+ oxidoreductase inhibitor ChEBI L-arogenate:NAD+ oxidoreductase inhibitors ChEBI TyrA(a) inhibitor ChEBI TyrA(a) inhibitors ChEBI arogenate dehydrogenase (EC 1.3.1.43) inhibitor ChEBI arogenate dehydrogenase (EC 1.3.1.43) inhibitors ChEBI arogenate dehydrogenase inhibitor ChEBI arogenate dehydrogenase inhibitors ChEBI cyclohexadienyl dehydrogenase inhibitor ChEBI cyclohexadienyl dehydrogenase inhibitors ChEBI 0 C17H23NO InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1 JAQUASYNZVUNQP-USXIJHARSA-N 257.371 257.17796 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 CAS:77-07-6 Drug_Central:1574 HMDB:HMDB0014992 KEGG:C08014 KEGG:D08123 Levorphanol chebi_ontology N-Methyl-3-hydroxymorphinan aromarone levo-dromoran levorphan levorphanol tartrate racemorphan CHEBI:6444 Levorphanol CAS:77-07-6 KEGG COMPOUND Drug_Central:1574 DrugCentral Levorphanol KEGG_COMPOUND N-Methyl-3-hydroxymorphinan DrugCentral aromarone DrugCentral levo-dromoran DrugCentral levorphan DrugCentral levorphanol tartrate DrugCentral racemorphan DrugCentral The arsenic oxoanion formed by loss os a single proton from arsonic acid. -1 AsH2O3 InChI=1S/AsH3O3/c2-1(3)4/h1H,(H2,2,3,4)/p-1 BUSBFZWLPXDYIC-UHFFFAOYSA-M 124.93570 124.92254 [H][As](O)([O-])=O Reaxys:15943183 hydrogen arsonate chebi_ontology CHEBI:64448 arsonate(1-) Reaxys:15943183 Reaxys hydrogen arsonate IUPAC An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond. chebi_ontology biaryls CHEBI:64459 biaryl biaryls ChEBI A metabolite of plant origin (phytochemical) which acts as a source material for biosynthesis of both lignans and lignin. Wikipedia:Monolignol chebi_ontology monolignols CHEBI:64477 monolignol monolignols ChEBI An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3. 0 C5H11NO2S InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N 149.21100 149.05105 CSCCC([NH3+])C([O-])=O 2-azaniumyl-4-(methylsulfanyl)butanoate chebi_ontology 2-ammonio-4-(methylsulfanyl)butanoate methionine CHEBI:64558 methionine zwitterion 2-azaniumyl-4-(methylsulfanyl)butanoate IUPAC 2-ammonio-4-(methylsulfanyl)butanoate IUPAC methionine UniProt The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. 0 C14H22N2O InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N 234.33736 234.17321 CCN(CC)CC(=O)Nc1c(C)cccc1C Beilstein:2215784 CAS:137-58-6 DrugBank:DB00281 Drug_Central:1579 HMDB:HMDB0014426 KEGG:C07073 KEGG:D00358 LINCS:LSM-3165 PMID:11106996 PMID:11120381 PMID:11431418 PMID:11692349 PMID:15056998 PMID:16668583 PMID:17214917 PMID:18940244 Patent:GB706409 Patent:GB758224 Patent:US2441498 Reaxys:2215784 VSDB:1903 Wikipedia:Lidocaine Lidocaine N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide chebi_ontology 2-(Diethylamino)-2',6'-acetoxylidide 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide Lidoderm alpha-diethylamino-2,6-dimethylacetanilide CHEBI:6456 lidocaine Beilstein:2215784 Beilstein CAS:137-58-6 ChemIDplus CAS:137-58-6 NIST Chemistry WebBook Drug_Central:1579 DrugCentral PMID:11106996 Europe PMC PMID:11120381 Europe PMC PMID:11431418 Europe PMC PMID:11692349 Europe PMC PMID:15056998 Europe PMC PMID:16668583 Europe PMC PMID:17214917 Europe PMC PMID:18940244 Europe PMC Reaxys:2215784 Reaxys Lidocaine KEGG_DRUG N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide IUPAC 2-(Diethylamino)-2',6'-acetoxylidide ChemIDplus 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide ChemIDplus Lidoderm DrugBank alpha-diethylamino-2,6-dimethylacetanilide NIST_Chemistry_WebBook An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1). Wikipedia:Glycine_hydroxymethyltransferase chebi_ontology 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors EC 2.1.2.1 inhibitor EC 2.1.2.1 inhibitors L-serine hydroxymethyltransferase inhibitor L-serine hydroxymethyltransferase inhibitors L-threonine aldolase inhibitor L-threonine aldolase inhibitors allothreonine aldolase inhibitor allothreonine aldolase inhibitors glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors glycine hydroxymethyltransferase inhibitor glycine hydroxymethyltransferase inhibitors serine aldolase inhibitor serine aldolase inhibitors serine hydroxymethylase inhibitor serine hydroxymethylase inhibitors serine hydroxymethyltransferase inhibitor serine hydroxymethyltransferase inhibitors serine transhydroxymethylase inhibitor serine transhydroxymethylase inhibitors threonine aldolase inhibitor threonine aldolase inhibitors CHEBI:64570 EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor ChEBI 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors ChEBI EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors ChEBI EC 2.1.2.1 inhibitor ChEBI EC 2.1.2.1 inhibitors ChEBI L-serine hydroxymethyltransferase inhibitor ChEBI L-serine hydroxymethyltransferase inhibitors ChEBI L-threonine aldolase inhibitor ChEBI L-threonine aldolase inhibitors ChEBI allothreonine aldolase inhibitor ChEBI allothreonine aldolase inhibitors ChEBI glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor ChEBI glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors ChEBI glycine hydroxymethyltransferase inhibitor ChEBI glycine hydroxymethyltransferase inhibitors ChEBI serine aldolase inhibitor ChEBI serine aldolase inhibitors ChEBI serine hydroxymethylase inhibitor ChEBI serine hydroxymethylase inhibitors ChEBI serine hydroxymethyltransferase inhibitor ChEBI serine hydroxymethyltransferase inhibitors ChEBI serine transhydroxymethylase inhibitor ChEBI serine transhydroxymethylase inhibitors ChEBI threonine aldolase inhibitor ChEBI threonine aldolase inhibitors ChEBI An excitatory amino acid agonist which binds to NMDA receptors and triggers a response. chebi_ontology N-methyl-D-aspartate receptor agonist N-methyl-D-aspartate receptor agonists NMDA receptor agonists NMDAR agonist NMDAR agonists CHEBI:64571 NMDA receptor agonist N-methyl-D-aspartate receptor agonist ChEBI N-methyl-D-aspartate receptor agonists ChEBI NMDA receptor agonists ChEBI NMDAR agonist ChEBI NMDAR agonists ChEBI A food additive which is added to flour or dough to improve baking quality and/or colour. Wikipedia:Flour_treatment_agent flour treatment agent chebi_ontology dough improver dough improvers improving agent improving agents CHEBI:64577 flour treatment agent flour treatment agent ChEBI dough improver ChEBI dough improvers ChEBI improving agent ChEBI improving agents ChEBI A toxin that accumulates in patients with chronic kidney disease. Wikipedia:Uremic_toxin chebi_ontology uremic toxins CHEBI:64584 uremic toxin uremic toxins ChEBI Any glycine transporter inhibitor that interferes with the action of glycine 1 transporters. PMID:17504107 PMID:18758757 PMID:20678516 PMID:21141920 PMID:21531289 PMID:22177408 Wikipedia:Glycine_transporter_1 chebi_ontology GlyT1 inhibitor GlyT1 inhibitors glycine transporter 1 inhibitors CHEBI:64588 glycine transporter 1 inhibitor PMID:17504107 Europe PMC PMID:18758757 Europe PMC PMID:20678516 Europe PMC PMID:21141920 Europe PMC PMID:21531289 Europe PMC PMID:22177408 Europe PMC GlyT1 inhibitor ChEBI GlyT1 inhibitors ChEBI glycine transporter 1 inhibitors ChEBI An agonist that binds to and activates glycine receptors chebi_ontology glycine receptor agonists CHEBI:64589 glycine receptor agonist glycine receptor agonists ChEBI A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. 0 C13H16Cl2O4 InChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3 VUDQSRFCCHQIIU-UHFFFAOYSA-N 307.170 306.04256 C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O CAS:111050-72-7 PMID:12555068 PMID:1521542 PMID:15333995 PMID:15470253 PMID:1731750 PMID:18305004 PMID:19414353 PMID:20231486 PMID:20843378 PMID:7777565 PMID:8421680 PMID:9446571 Reaxys:9789620 Wikipedia:Differentiation-inducing_factor 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one chebi_ontology 1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone C13H16Cl2O4 DIF 1 DIF-1 Dif-1 (dictyostelium) Differentiation-inducing factor 1 Morphogen differentiation inducing factor (dictyostelium) differentiation-inducing factor-1 CHEBI:64598 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one CAS:111050-72-7 ChemIDplus PMID:12555068 Europe PMC PMID:1521542 Europe PMC PMID:15333995 Europe PMC PMID:15470253 Europe PMC PMID:1731750 Europe PMC PMID:18305004 Europe PMC PMID:19414353 Europe PMC PMID:20231486 Europe PMC PMID:20843378 Europe PMC PMID:7777565 Europe PMC PMID:8421680 Europe PMC PMID:9446571 Europe PMC Reaxys:9789620 Reaxys 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one IUPAC 1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone ChemIDplus C13H16Cl2O4 SUBMITTER DIF 1 ChEBI DIF-1 SUBMITTER Dif-1 (dictyostelium) ChemIDplus Differentiation-inducing factor 1 SUBMITTER Morphogen differentiation inducing factor (dictyostelium) ChemIDplus differentiation-inducing factor-1 SUBMITTER A steroid compound with a structure based on a 21-carbon (pregnane) skeleton that acts as a hormone. chebi_ontology C21-steroid hormones CHEBI:64600 C21-steroid hormone C21-steroid hormones ChEBI A lipid similar in structure to a glycerolipid but in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. PMID:21309516 PMID:22114698 PMID:22148427 PMID:22306069 PMID:22348073 PMID:22366205 PMID:22506086 PMID:22609598 Wikipedia:Ether_lipid chebi_ontology ether glycerolipid ether glycerolipids ether lipids CHEBI:64611 ether lipid PMID:21309516 Europe PMC PMID:22114698 Europe PMC PMID:22148427 Europe PMC PMID:22306069 Europe PMC PMID:22348073 Europe PMC PMID:22366205 Europe PMC PMID:22506086 Europe PMC PMID:22609598 Europe PMC ether glycerolipid ChEBI ether glycerolipids ChEBI ether lipids ChEBI A repetitive glycan polysaccharide contained within a lipopolysaccharide (LPS). The O-antigen is attached to the core oligosaccharide, and comprises the outermost domain of the LPS molecule. CHEBI:59542 PMID:27101383 PMID:27288973 PMID:27308202 PMID:27308210 PMID:27577896 chebi_ontology O antigen O polysaccharide O-polysaccharides CHEBI:64637 O-polysaccharide PMID:27101383 Europe PMC PMID:27288973 Europe PMC PMID:27308202 Europe PMC PMID:27308210 Europe PMC PMID:27577896 Europe PMC O antigen SUBMITTER O polysaccharide ChEBI O-polysaccharides ChEBI An inorganic cation with a valency of two. chebi_ontology CHEBI:64641 divalent inorganic cation A peptide of 36-43 amino acids that is processed from the amyloid precursor protein. Appears to be the main constituent of amyloid plaques (deposits found in the brains of Alzheimer's disease patients). CHEBI:53002 KEGG:C16514 KEGG:C16515 PMID:21892760 PMID:22226401 PMID:22457725 PMID:22459190 PMID:22561032 PMID:22569063 Wikipedia:Beta_amyloid chebi_ontology amyloid beta beta amyloid beta-amyloid beta-amyloids CHEBI:64645 amyloid-beta PMID:21892760 Europe PMC PMID:22226401 Europe PMC PMID:22457725 Europe PMC PMID:22459190 Europe PMC PMID:22561032 Europe PMC PMID:22569063 Europe PMC amyloid beta SUBMITTER beta amyloid ChEBI beta-amyloid ChEBI beta-amyloids ChEBI An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of thioredoxin reductase (EC 1.8.1.9). Wikipedia:Thioredoxin_reductase chebi_ontology EC 1.8.1.9 (thioredoxin reductase) inhibitors EC 1.8.1.9 inhibitor EC 1.8.1.9 inhibitors NADP-thioredoxin reductase inhibitor NADP-thioredoxin reductase inhibitors NADPH-thioredoxin reductase inhibitor NADPH-thioredoxin reductase inhibitors NADPH2:oxidized thioredoxin oxidoreductase inhibitor NADPH2:oxidized thioredoxin oxidoreductase inhibitors TrxR inhibitor TrxR inhibitors thioredoxin reductase (EC 1.8.1.9) inhibitor thioredoxin reductase (EC 1.8.1.9) inhibitors thioredoxin reductase (NADPH) inhibitor thioredoxin reductase (NADPH) inhibitors thioredoxin reductase inhibitor thioredoxin reductase inhibitors thioredoxin-disulfide reductase inhibitor thioredoxin-disulfide reductase inhibitors thioredoxin:NADP+ oxidoreductase inhibitor thioredoxin:NADP+ oxidoreductase inhibitors CHEBI:64670 EC 1.8.1.9 (thioredoxin reductase) inhibitor EC 1.8.1.9 (thioredoxin reductase) inhibitors ChEBI EC 1.8.1.9 inhibitor ChEBI EC 1.8.1.9 inhibitors ChEBI NADP-thioredoxin reductase inhibitor ChEBI NADP-thioredoxin reductase inhibitors ChEBI NADPH-thioredoxin reductase inhibitor ChEBI NADPH-thioredoxin reductase inhibitors ChEBI NADPH2:oxidized thioredoxin oxidoreductase inhibitor ChEBI NADPH2:oxidized thioredoxin oxidoreductase inhibitors ChEBI TrxR inhibitor ChEBI TrxR inhibitors ChEBI thioredoxin reductase (EC 1.8.1.9) inhibitor ChEBI thioredoxin reductase (EC 1.8.1.9) inhibitors ChEBI thioredoxin reductase (NADPH) inhibitor ChEBI thioredoxin reductase (NADPH) inhibitors ChEBI thioredoxin reductase inhibitor ChEBI thioredoxin reductase inhibitors ChEBI thioredoxin-disulfide reductase inhibitor ChEBI thioredoxin-disulfide reductase inhibitors ChEBI thioredoxin:NADP+ oxidoreductase inhibitor ChEBI thioredoxin:NADP+ oxidoreductase inhibitors ChEBI An aromatic ketone that is penta- or hexaphenone bearing chloro, hydroxy and methoxy substituents on the benzene ring. A class of effector molecules isolated from Dictyostelium discoideum. Wikipedia:Differentiation-inducing_factor chebi_ontology differentiation-inducing factors CHEBI:64672 differentiation-inducing factor differentiation-inducing factors ChEBI An organic cation obtained by protonation of any anthracycline. chebi_ontology anthracycline cations CHEBI:64678 anthracycline cation anthracycline cations ChEBI An organic cation resulting from the addition of a proton to metronidazole. +1 C6H10N3O3 InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3/p+1 VAOCPAMSLUNLGC-UHFFFAOYSA-O 172.16190 172.07167 [H+].Cc1ncc(n1CCO)[N+]([O-])=O chebi_ontology CHEBI:64682 metronidazole(1+) An organic molecular entity containing a single carbon atom (C1). chebi_ontology one-carbon compounds CHEBI:64708 one-carbon compound one-carbon compounds ChEBI Any organic molecular entity that is acidic and contains carbon in covalent linkage. chebi_ontology organic acids CHEBI:64709 organic acid organic acids ChEBI An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of three. chebi_ontology CHEBI:64712 trivalent inorganic cation A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis. 0 C18H34N2O6S InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 OJMMVQQUTAEWLP-KIDUDLJLSA-N 406.53700 406.21376 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O CAS:154-21-2 DrugBank:DB01627 Drug_Central:1582 HMDB:HMDB0015564 KEGG:C06812 KEGG:C14002 KEGG:D00223 KEGG:D02346 LINCS:LSM-5602 PMID:24324587 Reaxys:707677 Wikipedia:Lincomycin Lincomycin methyl 6,8-dideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-erythro-alpha-D-galacto-octopyranoside chebi_ontology Cillimycin Methyl 6,8-dideoxy-6-trans-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-D-erythro-alpha-D-galacto-octopyranoside lincomicina lincomycin lincomycine lincomycinum CHEBI:6472 lincomycin CAS:154-21-2 ChemIDplus CAS:154-21-2 KEGG COMPOUND Drug_Central:1582 DrugCentral PMID:24324587 Europe PMC Reaxys:707677 Reaxys Lincomycin KEGG_COMPOUND methyl 6,8-dideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-erythro-alpha-D-galacto-octopyranoside IUPAC Cillimycin ChemIDplus Methyl 6,8-dideoxy-6-trans-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-D-erythro-alpha-D-galacto-octopyranoside NIST_Chemistry_WebBook lincomicina ChemIDplus lincomycin WHO_MedNet lincomycine ChemIDplus lincomycinum ChemIDplus A tetracarboxylic acid anion formed by deprotonation of two of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA). -2 C10H14N2O8 InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2 KCXVZYZYPLLWCC-UHFFFAOYSA-L 290.22680 290.07611 [O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O MetaCyc:EDTA 2,2',2'',2'''-(ethane-1,2-diyldiazaniumyl)tetraacetate chebi_ontology 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate EDTA CHEBI:64755 EDTA(2-) 2,2',2'',2'''-(ethane-1,2-diyldiazaniumyl)tetraacetate IUPAC 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate IUPAC EDTA UniProt An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of phosphatidylinositol-specific phospholipase C (EC 3.1.4.11). Wikipedia:Phosphatidylinositol-specific_phospholipase_C chebi_ontology 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitor 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitors EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitors EC 3.1.4.11 inhibitor EC 3.1.4.11 inhibitors PI-PLC inhibitor PI-PLC inhibitors monophosphatidylinositol phosphodiesterase inhibitor monophosphatidylinositol phosphodiesterase inhibitors phosphatidylinositol phospholipase C inhibitor phosphatidylinositol phospholipase C inhibitors phosphatidylinositol-specific phospholipase C inhibitor phosphatidylinositol-specific phospholipase C inhibitors phosphoinositidase C inhibitor phosphoinositidase C inhibitors phosphoinositide phospholipase C (EC 3.1.4.11) inhibitor phosphoinositide phospholipase C (EC 3.1.4.11) inhibitors phosphoinositide phospholipase C inhibitor phosphoinositide phospholipase C inhibitors triphosphoinositide phosphodiesterase inhibitor triphosphoinositide phosphodiesterase inhibitors CHEBI:64763 EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor ChEBI 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors ChEBI 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor ChEBI 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors ChEBI 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitor ChEBI 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitors ChEBI EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitors ChEBI EC 3.1.4.11 inhibitor ChEBI EC 3.1.4.11 inhibitors ChEBI PI-PLC inhibitor ChEBI PI-PLC inhibitors ChEBI monophosphatidylinositol phosphodiesterase inhibitor ChEBI monophosphatidylinositol phosphodiesterase inhibitors ChEBI phosphatidylinositol phospholipase C inhibitor ChEBI phosphatidylinositol phospholipase C inhibitors ChEBI phosphatidylinositol-specific phospholipase C inhibitor ChEBI phosphatidylinositol-specific phospholipase C inhibitors ChEBI phosphoinositidase C inhibitor ChEBI phosphoinositidase C inhibitors ChEBI phosphoinositide phospholipase C (EC 3.1.4.11) inhibitor ChEBI phosphoinositide phospholipase C (EC 3.1.4.11) inhibitors ChEBI phosphoinositide phospholipase C inhibitor ChEBI phosphoinositide phospholipase C inhibitors ChEBI triphosphoinositide phosphodiesterase inhibitor ChEBI triphosphoinositide phosphodiesterase inhibitors ChEBI An anthracycline cation that is the conjugate acid of doxorubicin, arising from protonation of the amino group; major species at pH 7.3. +1 C27H30NO11 InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1 AOJJSUZBOXZQNB-TZSSRYMLSA-O 544.52720 544.18134 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Reaxys:5898339 (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside chebi_ontology doxorubicin doxorubicin cation CHEBI:64816 doxorubicin(1+) Reaxys:5898339 Reaxys (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside IUPAC doxorubicin UniProt doxorubicin cation ChEBI A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3. 0 C9H10Cl2N2O2 InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) XKJMBINCVNINCA-UHFFFAOYSA-N 249.09400 248.01193 CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1 CAS:330-55-2 KEGG:C11007 PMID:23586778 PMID:24410802 PMID:25238184 PPDB:419 Pesticides:linuron Reaxys:2128725 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea chebi_ontology 1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea CHEBI:6482 linuron CAS:330-55-2 ChemIDplus CAS:330-55-2 KEGG COMPOUND CAS:330-55-2 NIST Chemistry WebBook PMID:23586778 Europe PMC PMID:24410802 Europe PMC PMID:25238184 Europe PMC Pesticides:linuron Alan Wood's Pesticides Reaxys:2128725 Reaxys 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea IUPAC 1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea ChemIDplus 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea NIST_Chemistry_WebBook N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea NIST_Chemistry_WebBook The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it. Wikipedia:Cosmetics chebi_ontology cosmetic component cosmetics CHEBI:64857 cosmetic cosmetic component ChEBI cosmetics ChEBI Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism. Wikipedia:Poison chebi_ontology poisonous agent poisonous agents poisonous substance poisonous substances poisons toxic agent toxic agents toxic substance toxic substances CHEBI:64909 poison poisonous agent ChEBI poisonous agents ChEBI poisonous substance ChEBI poisonous substances ChEBI poisons ChEBI toxic agent ChEBI toxic agents ChEBI toxic substance ChEBI toxic substances ChEBI Any compound that inhibits cell division (mitosis). Wikipedia:Mitotic_inhibitor chebi_ontology antimitotics mitosis inhibitor mitosis inhibitors mitotic inhibitor mitotic inhibitors CHEBI:64911 antimitotic antimitotics ChEBI mitosis inhibitor ChEBI mitosis inhibitors ChEBI mitotic inhibitor ChEBI mitotic inhibitors ChEBI A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy. chebi_ontology antimycobacterial agent antimycobacterial agents antimycobacterial drugs antimycobacterials antimycobacterium CHEBI:64912 antimycobacterial drug antimycobacterial agent ChEBI antimycobacterial agents ChEBI antimycobacterial drugs ChEBI antimycobacterials ChEBI antimycobacterium ChEBI An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. chebi_ontology antiplasmodial agent antiplasmodial agents antiplasmodial drugs antiplasmodium agent antiplasmodium agents antiplasmodium drug antiplasmodium drugs CHEBI:64915 antiplasmodial drug antiplasmodial agent ChEBI antiplasmodial agents ChEBI antiplasmodial drugs ChEBI antiplasmodium agent ChEBI antiplasmodium agents ChEBI antiplasmodium drug ChEBI antiplasmodium drugs ChEBI Any protease inhibitor that restricts the action of a serine protease. chebi_ontology serine protease inhibitors serine proteinase inhibitor serine proteinase inhibitors CHEBI:64926 serine protease inhibitor serine protease inhibitors ChEBI serine proteinase inhibitor ChEBI serine proteinase inhibitors ChEBI An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. chebi_ontology anti-AIDS agent anti-AIDS agents anti-HIV agents CHEBI:64946 anti-HIV agent anti-AIDS agent ChEBI anti-AIDS agents ChEBI anti-HIV agents ChEBI A clathrate complex consisting of a lipid enwrapped in a protein host without covalent binding in such a way that the complex has a hydrophilic outer surface consisting of all the protein and the polar ends of any phospholipids. KEGG:C01834 Lipoprotein lipoproteins chebi_ontology lipoprotein particle CHEBI:6495 lipoprotein Lipoprotein KEGG_COMPOUND lipoproteins IUPAC lipoprotein particle ChEBI An antiviral agent that destroys or inhibits the replication of the herpes simplex virus (also known as the human herpes virus). Wikipedia:Herpes_simplex_virus chebi_ontology anti-HHV agent anti-HHV agents anti-HSV agents anti-herpes simplex virus agent anti-herpes simplex virus agents anti-human herpes virus agent anti-human herpes virus agents CHEBI:64952 anti-HSV agent anti-HHV agent ChEBI anti-HHV agents ChEBI anti-HSV agents ChEBI anti-herpes simplex virus agent ChEBI anti-herpes simplex virus agents ChEBI anti-human herpes virus agent ChEBI anti-human herpes virus agents ChEBI An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1. chebi_ontology anti-HHV-1 agent anti-HHV-1 agents anti-HHV-I agent anti-HHV-I agents anti-HSV-1 agents anti-HSV-I agent anti-HSV-I agents anti-human herpes virus-1 agent anti-human herpes virus-1 agents anti-human herpes virus-I agent anti-human herpes virus-I agents CHEBI:64953 anti-HSV-1 agent anti-HHV-1 agent ChEBI anti-HHV-1 agents ChEBI anti-HHV-I agent ChEBI anti-HHV-I agents ChEBI anti-HSV-1 agents ChEBI anti-HSV-I agent ChEBI anti-HSV-I agents ChEBI anti-human herpes virus-1 agent ChEBI anti-human herpes virus-1 agents ChEBI anti-human herpes virus-I agent ChEBI anti-human herpes virus-I agents ChEBI A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34). chebi_ontology 5-LOX inhibitor 5-LOX inhibitors 5-lipoxygenase inhibitor 5-lipoxygenase inhibitors 5delta-lipoxygenase inhibitor 5delta-lipoxygenase inhibitors C-5-lipoxygenase inhibitor C-5-lipoxygenase inhibitors EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitors EC 1.13.11.34 inhibitor EC 1.13.11.34 inhibitors LTA synthase inhibitor LTA synthase inhibitors arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitor arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitors arachidonate 5-lipoxygenase inhibitor arachidonate 5-lipoxygenase inhibitors arachidonic 5-lipoxygenase inhibitor arachidonic 5-lipoxygenase inhibitors arachidonic acid 5-lipoxygenase inhibitor arachidonic acid 5-lipoxygenase inhibitors delta(5)-lipoxygenase inhibitor delta(5)-lipoxygenase inhibitors leukotriene A4 synthase inhibitor leukotriene A4 synthase inhibitors leukotriene-A4 synthase inhibitor leukotriene-A4 synthase inhibitors CHEBI:64964 EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor 5-LOX inhibitor ChEBI 5-LOX inhibitors ChEBI 5-lipoxygenase inhibitor ChEBI 5-lipoxygenase inhibitors ChEBI 5delta-lipoxygenase inhibitor ChEBI 5delta-lipoxygenase inhibitors ChEBI C-5-lipoxygenase inhibitor ChEBI C-5-lipoxygenase inhibitors ChEBI EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitors ChEBI EC 1.13.11.34 inhibitor ChEBI EC 1.13.11.34 inhibitors ChEBI LTA synthase inhibitor ChEBI LTA synthase inhibitors ChEBI arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitor ChEBI arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitors ChEBI arachidonate 5-lipoxygenase inhibitor ChEBI arachidonate 5-lipoxygenase inhibitors ChEBI arachidonic 5-lipoxygenase inhibitor ChEBI arachidonic 5-lipoxygenase inhibitors ChEBI arachidonic acid 5-lipoxygenase inhibitor ChEBI arachidonic acid 5-lipoxygenase inhibitors ChEBI delta(5)-lipoxygenase inhibitor ChEBI delta(5)-lipoxygenase inhibitors ChEBI leukotriene A4 synthase inhibitor ChEBI leukotriene A4 synthase inhibitors ChEBI leukotriene-A4 synthase inhibitor ChEBI leukotriene-A4 synthase inhibitors ChEBI A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33). Wikipedia:ALOX15 chebi_ontology 15-LOX inhibitor 15-LOX inhibitors 15-lipoxygenase inhibitor 15-lipoxygenase inhibitors EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitors EC 1.13.11.33 inhibitor EC 1.13.11.33 inhibitors arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitor arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitors arachidonate 15-lipoxygenase inhibitor arachidonate 15-lipoxygenase inhibitors arachidonate:oxygen 15-oxidoreductase inhibitor arachidonate:oxygen 15-oxidoreductase inhibitors linoleic acid omega(6)-lipoxygenase inhibitor linoleic acid omega(6)-lipoxygenase inhibitors omega(6) lipoxygenase inhibitor omega(6) lipoxygenase inhibitors CHEBI:64996 EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor 15-LOX inhibitor ChEBI 15-LOX inhibitors ChEBI 15-lipoxygenase inhibitor ChEBI 15-lipoxygenase inhibitors ChEBI EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitors ChEBI EC 1.13.11.33 inhibitor ChEBI EC 1.13.11.33 inhibitors ChEBI arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitor ChEBI arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitors ChEBI arachidonate 15-lipoxygenase inhibitor ChEBI arachidonate 15-lipoxygenase inhibitors ChEBI arachidonate:oxygen 15-oxidoreductase inhibitor ChEBI arachidonate:oxygen 15-oxidoreductase inhibitors ChEBI linoleic acid omega(6)-lipoxygenase inhibitor ChEBI linoleic acid omega(6)-lipoxygenase inhibitors ChEBI omega(6) lipoxygenase inhibitor ChEBI omega(6) lipoxygenase inhibitors ChEBI Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3). chebi_ontology EC 3.1.1.3 (triacylglycerol lipase) inhibitors EC 3.1.1.3 inhibitor EC 3.1.1.3 inhibitors GEH inhibitor GEH inhibitors PPL inhibitor PPL inhibitors Tween hydrolase inhibitor Tween hydrolase inhibitors Tweenase inhibitor Tweenase inhibitors Tweenesterase inhibitor Tweenesterase inhibitors butyrinase inhibitor butyrinase inhibitors cacordase inhibitor cacordase inhibitors capalase L inhibitor capalase L inhibitors glycerol ester hydrolase inhibitor glycerol ester hydrolase inhibitors glycerol-ester hydrolase inhibitor glycerol-ester hydrolase inhibitors heparin releasable hepatic lipase inhibitor heparin releasable hepatic lipase inhibitors hepatic lipase inhibitor hepatic lipase inhibitors hepatic monoacylglycerol acyltransferase inhibitor hepatic monoacylglycerol acyltransferase inhibitors lipase inhibitor lipase inhibitors lipazin inhibitor lipazin inhibitors liver lipase inhibitor liver lipase inhibitors pancreatic lipase inhibitor pancreatic lipase inhibitors pancreatic triacylglycerol lipase inhibitor pancreatic triacylglycerol lipase inhibitors post-heparin plasma protamine-resistant lipase inhibitor post-heparin plasma protamine-resistant lipase inhibitors salt-resistant post-heparin lipase inhibitor salt-resistant post-heparin lipase inhibitors steapsin inhibitor steapsin inhibitors triacetinase inhibitor triacetinase inhibitors triacylglycerol ester hydrolase inhibitor triacylglycerol ester hydrolase inhibitors triacylglycerol lipase (EC 3.1.1.3) inhibitor triacylglycerol lipase (EC 3.1.1.3) inhibitors triacylglycerol lipase inhibitor triacylglycerol lipase inhibitors tributyrase inhibitor tributyrase inhibitors tributyrin esterase inhibitor tributyrin esterase inhibitors tributyrinase inhibitor tributyrinase inhibitors triglyceridase inhibitor triglyceridase inhibitors triglyceride hydrolase inhibitor triglyceride hydrolase inhibitors triglyceride lipase inhibitor triglyceride lipase inhibitors triolein hydrolase inhibitor triolein hydrolase inhibitors tween-hydrolysing esterase inhibitor tween-hydrolyzing esterase inhibitors CHEBI:65001 EC 3.1.1.3 (triacylglycerol lipase) inhibitor EC 3.1.1.3 (triacylglycerol lipase) inhibitors ChEBI EC 3.1.1.3 inhibitor ChEBI EC 3.1.1.3 inhibitors ChEBI GEH inhibitor ChEBI GEH inhibitors ChEBI PPL inhibitor ChEBI PPL inhibitors ChEBI Tween hydrolase inhibitor ChEBI Tween hydrolase inhibitors ChEBI Tweenase inhibitor ChEBI Tweenase inhibitors ChEBI Tweenesterase inhibitor ChEBI Tweenesterase inhibitors ChEBI butyrinase inhibitor ChEBI butyrinase inhibitors ChEBI cacordase inhibitor ChEBI cacordase inhibitors ChEBI capalase L inhibitor ChEBI capalase L inhibitors ChEBI glycerol ester hydrolase inhibitor ChEBI glycerol ester hydrolase inhibitors ChEBI glycerol-ester hydrolase inhibitor ChEBI glycerol-ester hydrolase inhibitors ChEBI heparin releasable hepatic lipase inhibitor ChEBI heparin releasable hepatic lipase inhibitors ChEBI hepatic lipase inhibitor ChEBI hepatic lipase inhibitors ChEBI hepatic monoacylglycerol acyltransferase inhibitor ChEBI hepatic monoacylglycerol acyltransferase inhibitors ChEBI lipase inhibitor ChEBI lipase inhibitors ChEBI lipazin inhibitor ChEBI lipazin inhibitors ChEBI liver lipase inhibitor ChEBI liver lipase inhibitors ChEBI pancreatic lipase inhibitor ChEBI pancreatic lipase inhibitors ChEBI pancreatic triacylglycerol lipase inhibitor ChEBI pancreatic triacylglycerol lipase inhibitors ChEBI post-heparin plasma protamine-resistant lipase inhibitor ChEBI post-heparin plasma protamine-resistant lipase inhibitors ChEBI salt-resistant post-heparin lipase inhibitor ChEBI salt-resistant post-heparin lipase inhibitors ChEBI steapsin inhibitor ChEBI steapsin inhibitors ChEBI triacetinase inhibitor ChEBI triacetinase inhibitors ChEBI triacylglycerol ester hydrolase inhibitor ChEBI triacylglycerol ester hydrolase inhibitors ChEBI triacylglycerol lipase (EC 3.1.1.3) inhibitor ChEBI triacylglycerol lipase (EC 3.1.1.3) inhibitors ChEBI triacylglycerol lipase inhibitor ChEBI triacylglycerol lipase inhibitors ChEBI tributyrase inhibitor ChEBI tributyrase inhibitors ChEBI tributyrin esterase inhibitor ChEBI tributyrin esterase inhibitors ChEBI tributyrinase inhibitor ChEBI tributyrinase inhibitors ChEBI triglyceridase inhibitor ChEBI triglyceridase inhibitors ChEBI triglyceride hydrolase inhibitor ChEBI triglyceride hydrolase inhibitors ChEBI triglyceride lipase inhibitor ChEBI triglyceride lipase inhibitors ChEBI triolein hydrolase inhibitor ChEBI triolein hydrolase inhibitors ChEBI tween-hydrolysing esterase inhibitor ChEBI tween-hydrolyzing esterase inhibitors ChEBI Any compound that has anti-asthmatic effects. chebi_ontology anti-asthmatic agents antiasthmatic agent antiasthmatic agents CHEBI:65023 anti-asthmatic agent anti-asthmatic agents ChEBI antiasthmatic agent ChEBI antiasthmatic agents ChEBI 0 CLi2O3 CO3.2Li InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 XGZVUEUWXADBQD-UHFFFAOYSA-L 73.89090 74.01675 [Li+].[Li+].[O-]C([O-])=O Beilstein:3999191 CAS:554-13-2 Gmelin:1123452 Gmelin:23965 KEGG:C07964 KEGG:D00801 Wikipedia:Lithium_Carbonate Lithium carbonate dilithium trioxidocarbonate lithium carbonate chebi_ontology Li2CO3 carbonic acid, dilithium salt dilithium carbonate CHEBI:6504 lithium carbonate Beilstein:3999191 Beilstein CAS:554-13-2 ChemIDplus CAS:554-13-2 KEGG COMPOUND CAS:554-13-2 NIST Chemistry WebBook Gmelin:1123452 Gmelin Gmelin:23965 Gmelin Lithium carbonate KEGG_COMPOUND dilithium trioxidocarbonate IUPAC lithium carbonate IUPAC Li2CO3 IUPAC carbonic acid, dilithium salt ChemIDplus dilithium carbonate NIST_Chemistry_WebBook An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of arginine decarboxylase (EC 4.1.1.19). chebi_ontology ADC inhibitor ADC inhibitors EC 4.1.1.19 (arginine decarboxylase) inhibitors EC 4.1.1.19 inhibitor EC 4.1.1.19 inhibitors L-arginine carboxy-lyase (agmatine-forming) inhibitor L-arginine carboxy-lyase (agmatine-forming) inhibitors L-arginine carboxy-lyase inhibitor L-arginine carboxy-lyase inhibitors SpeA inhibitor SpeA inhibitors arginine decarboxylase (EC 4.1.1.19) inhibitor arginine decarboxylase (EC 4.1.1.19) inhibitors arginine decarboxylase inhibitor arginine decarboxylase inhibitors CHEBI:65053 EC 4.1.1.19 (arginine decarboxylase) inhibitor ADC inhibitor ChEBI ADC inhibitors ChEBI EC 4.1.1.19 (arginine decarboxylase) inhibitors ChEBI EC 4.1.1.19 inhibitor ChEBI EC 4.1.1.19 inhibitors ChEBI L-arginine carboxy-lyase (agmatine-forming) inhibitor ChEBI L-arginine carboxy-lyase (agmatine-forming) inhibitors ChEBI L-arginine carboxy-lyase inhibitor ChEBI L-arginine carboxy-lyase inhibitors ChEBI SpeA inhibitor ChEBI SpeA inhibitors ChEBI arginine decarboxylase (EC 4.1.1.19) inhibitor ChEBI arginine decarboxylase (EC 4.1.1.19) inhibitors ChEBI arginine decarboxylase inhibitor ChEBI arginine decarboxylase inhibitors ChEBI An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of fructose-bisphosphatase (EC 3.1.3.11). Wikipedia:Fructose_1,6-bisphosphatase chebi_ontology D-fructose 1,6-diphosphatase inhibitor D-fructose 1,6-diphosphatase inhibitors D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitor D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitors D-fructose-1,6-bisphosphate phosphatase inhibitor D-fructose-1,6-bisphosphate phosphatase inhibitors EC 3.1.3.11 (fructose-bisphosphatase) inhibitors EC 3.1.3.11 inhibitor EC 3.1.3.11 inhibitors FBPase inhibitor FBPase inhibitors fructose 1,6-bisphosphatase inhibitor fructose 1,6-bisphosphatase inhibitors fructose 1,6-bisphosphate 1-phosphatase inhibitor fructose 1,6-bisphosphate 1-phosphatase inhibitors fructose 1,6-bisphosphate phosphatase inhibitor fructose 1,6-bisphosphate phosphatase inhibitors fructose 1,6-diphosphatase inhibitor fructose 1,6-diphosphatase inhibitors fructose 1,6-diphosphate phosphatase inhibitor fructose 1,6-diphosphate phosphatase inhibitors fructose bisphosphate phosphatase inhibitor fructose bisphosphate phosphatase inhibitors fructose diphosphatase inhibitor fructose diphosphatase inhibitors fructose diphosphate phosphatase inhibitor fructose diphosphate phosphatase inhibitors fructose-bisphosphatase (EC 3.1.3.11) inhibitor fructose-bisphosphatase (EC 3.1.3.11) inhibitors fructose-bisphosphatase inhibitor fructose-bisphosphatase inhibitors hexose bisphosphatase inhibitor hexose bisphosphatase inhibitors hexose diphosphatase inhibitor CHEBI:65056 EC 3.1.3.11 (fructose-bisphosphatase) inhibitor D-fructose 1,6-diphosphatase inhibitor ChEBI D-fructose 1,6-diphosphatase inhibitors ChEBI D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitor ChEBI D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitors ChEBI D-fructose-1,6-bisphosphate phosphatase inhibitor ChEBI D-fructose-1,6-bisphosphate phosphatase inhibitors ChEBI EC 3.1.3.11 (fructose-bisphosphatase) inhibitors ChEBI EC 3.1.3.11 inhibitor ChEBI EC 3.1.3.11 inhibitors ChEBI FBPase inhibitor ChEBI FBPase inhibitors ChEBI fructose 1,6-bisphosphatase inhibitor ChEBI fructose 1,6-bisphosphatase inhibitors ChEBI fructose 1,6-bisphosphate 1-phosphatase inhibitor ChEBI fructose 1,6-bisphosphate 1-phosphatase inhibitors ChEBI fructose 1,6-bisphosphate phosphatase inhibitor ChEBI fructose 1,6-bisphosphate phosphatase inhibitors ChEBI fructose 1,6-diphosphatase inhibitor ChEBI fructose 1,6-diphosphatase inhibitors ChEBI fructose 1,6-diphosphate phosphatase inhibitor ChEBI fructose 1,6-diphosphate phosphatase inhibitors ChEBI fructose bisphosphate phosphatase inhibitor ChEBI fructose bisphosphate phosphatase inhibitors ChEBI fructose diphosphatase inhibitor ChEBI fructose diphosphatase inhibitors ChEBI fructose diphosphate phosphatase inhibitor ChEBI fructose diphosphate phosphatase inhibitors ChEBI fructose-bisphosphatase (EC 3.1.3.11) inhibitor ChEBI fructose-bisphosphatase (EC 3.1.3.11) inhibitors ChEBI fructose-bisphosphatase inhibitor ChEBI fructose-bisphosphatase inhibitors ChEBI hexose bisphosphatase inhibitor ChEBI hexose bisphosphatase inhibitors ChEBI hexose diphosphatase inhibitor ChEBI An agonist at the A1 receptor. Wikipedia:Adenosine_A1_receptor chebi_ontology adenosine A1 receptor agonists CHEBI:65057 adenosine A1 receptor agonist adenosine A1 receptor agonists ChEBI An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of cyclopropane fatty acid synthase (EC 2.1.1.79). chebi_ontology CFA synthase inhibitor CFA synthase inhibitors EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitors EC 2.1.1.79 inhibitor EC 2.1.1.79 inhibitors S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclising) inhibitor S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclising) inhibitors S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclizing) inhibitor S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclizing) inhibitors cyclopropane fatty acid synthase inhibitors cyclopropane fatty acid synthetase inhibitor cyclopropane fatty acid synthetase inhibitors cyclopropane synthase inhibitor cyclopropane synthase inhibitors cyclopropane synthetase inhibitor cyclopropane synthetase inhibitors cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.79) inhibitor cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.79) inhibitors cyclopropane-fatty-acyl-phospholipid synthase inhibitor cyclopropane-fatty-acyl-phospholipid synthase inhibitors unsaturated-phospholipid methyltransferase inhibitor unsaturated-phospholipid methyltransferase inhibitors CHEBI:65064 EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor CFA synthase inhibitor ChEBI CFA synthase inhibitors ChEBI EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitors ChEBI EC 2.1.1.79 inhibitor ChEBI EC 2.1.1.79 inhibitors ChEBI S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclising) inhibitor ChEBI S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclising) inhibitors ChEBI S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclizing) inhibitor ChEBI S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclizing) inhibitors ChEBI cyclopropane fatty acid synthase inhibitors ChEBI cyclopropane fatty acid synthetase inhibitor ChEBI cyclopropane fatty acid synthetase inhibitors ChEBI cyclopropane synthase inhibitor ChEBI cyclopropane synthase inhibitors ChEBI cyclopropane synthetase inhibitor ChEBI cyclopropane synthetase inhibitors ChEBI cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.79) inhibitor ChEBI cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.79) inhibitors ChEBI cyclopropane-fatty-acyl-phospholipid synthase inhibitor ChEBI cyclopropane-fatty-acyl-phospholipid synthase inhibitors ChEBI unsaturated-phospholipid methyltransferase inhibitor ChEBI unsaturated-phospholipid methyltransferase inhibitors ChEBI An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of site-specific DNA-methyltransferase (adenine-specific), EC 2.1.1.72. chebi_ontology DNA adenine methyltransferase inhibitor DNA adenine methyltransferase inhibitors Dam inhibitor Dam inhibitors EC 2.1.1.72 (site-specific DNA-methyltransferase (adenine-specific)) inhibitor EC 2.1.1.72 (site-specific DNA-methyltransferase (adenine-specific)) inhibitors EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitors EC 2.1.1.72 inhibitor EC 2.1.1.72 inhibitors modification methylase inhibitor modification methylase inhibitors restriction-modification system inhibitor restriction-modification system inhibitors site-specific DNA-methyltransferase (adenine-specific) (EC 2.1.1.72) inhibitor site-specific DNA-methyltransferase (adenine-specific) (EC 2.1.1.72) inhibitors site-specific DNA-methyltransferase (adenine-specific) inhibitor site-specific DNA-methyltransferase (adenine-specific) inhibitors CHEBI:65065 EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor DNA adenine methyltransferase inhibitor ChEBI DNA adenine methyltransferase inhibitors ChEBI Dam inhibitor ChEBI Dam inhibitors ChEBI EC 2.1.1.72 (site-specific DNA-methyltransferase (adenine-specific)) inhibitor ChEBI EC 2.1.1.72 (site-specific DNA-methyltransferase (adenine-specific)) inhibitors ChEBI EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitors ChEBI EC 2.1.1.72 inhibitor ChEBI EC 2.1.1.72 inhibitors ChEBI modification methylase inhibitor ChEBI modification methylase inhibitors ChEBI restriction-modification system inhibitor ChEBI restriction-modification system inhibitors ChEBI site-specific DNA-methyltransferase (adenine-specific) (EC 2.1.1.72) inhibitor ChEBI site-specific DNA-methyltransferase (adenine-specific) (EC 2.1.1.72) inhibitors ChEBI site-specific DNA-methyltransferase (adenine-specific) inhibitor ChEBI site-specific DNA-methyltransferase (adenine-specific) inhibitors ChEBI A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage. 0 C24H35N5O5 InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1 ZXIBCJHYVWYIKI-PZJWPPBQSA-N 473.56520 473.26382 [H][C@]1(CCN1C(=O)[C@H](NCC(=O)OCC)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=NO CAS:192939-46-1 DrugBank:DB04898 Drug_Central:2852 KEGG:D01981 PMID:12846595 PMID:15487959 PMID:16084146 PMID:16106594 PMID:16123912 PMID:16511607 PMID:16767816 PMID:17319469 PMID:17636192 PMID:19028773 PMID:20020269 PMID:28338626 Reaxys:14559655 Wikipedia:Ximelagatran ethyl N-{(1R)-1-cyclohexyl-2-[(2S)-2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}azetidin-1-yl]-2-oxoethyl}glycinate chebi_ontology Exanta Exarta H 376-95 H 376/95 H 37695 ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(N'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetate ximelagatran ximelagatran (oxime form) ximelagatranum CHEBI:65172 ximelagatran CAS:192939-46-1 ChemIDplus CAS:192939-46-1 KEGG DRUG DrugBank:DB04898 SUBMITTER Drug_Central:2852 DrugCentral KEGG:D01981 SUBMITTER PMID:12846595 Europe PMC PMID:15487959 Europe PMC PMID:16084146 Europe PMC PMID:16106594 Europe PMC PMID:16123912 Europe PMC PMID:16511607 Europe PMC PMID:16767816 Europe PMC PMID:17319469 Europe PMC PMID:17636192 Europe PMC PMID:19028773 Europe PMC PMID:20020269 Europe PMC PMID:28338626 Europe PMC Reaxys:14559655 Reaxys ethyl N-{(1R)-1-cyclohexyl-2-[(2S)-2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}azetidin-1-yl]-2-oxoethyl}glycinate IUPAC Exanta SUBMITTER Exarta SUBMITTER H 376-95 ChemIDplus H 376/95 ChemIDplus H 37695 ChemIDplus ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(N'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetate ChEBI ximelagatran WHO_MedNet ximelagatran (oxime form) ChEBI ximelagatranum WHO_MedNet A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia. 0 C24H27FN2O4 InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 XMXHEBAFVSFQEX-UHFFFAOYSA-N 426.48060 426.19549 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O CAS:133454-47-4 Drug_Central:3294 KEGG:D02666 LINCS:LSM-5598 PMID:21289324 PMID:21474903 PMID:21600386 PMID:22161738 PMID:22217439 PMID:22453868 PMID:22465688 PMID:22617084 Reaxys:7233425 Wikipedia:Iloperidone 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone chebi_ontology 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone 4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone Fanapt Fanapta Zomaril iloperidona iloperidone iloperidonum CHEBI:65173 iloperidone CAS:133454-47-4 ChemIDplus CAS:133454-47-4 SUBMITTER Drug_Central:3294 DrugCentral KEGG:D02666 SUBMITTER PMID:21289324 Europe PMC PMID:21474903 Europe PMC PMID:21600386 Europe PMC PMID:22161738 Europe PMC PMID:22217439 Europe PMC PMID:22453868 Europe PMC PMID:22465688 Europe PMC PMID:22617084 Europe PMC Reaxys:7233425 Reaxys 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone IUPAC 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone ChEBI 4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone ChemIDplus Fanapt SUBMITTER Fanapta SUBMITTER Zomaril SUBMITTER iloperidona WHO_MedNet iloperidone WHO_MedNet iloperidonum WHO_MedNet Antipsychotic drugs which can have different modes of action but which tend to be more likely than second generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements; such body movements can become permanent even after treatment has ceased. Wikipedia:Typical_antipsychotic chebi_ontology first generation antipsychotic agent first generation antipsychotic agents first generation antipsychotic drug first generation antipsychotic drugs first generation antipsychotics typical antipsychotic typical antipsychotic agent typical antipsychotic agents typical antipsychotic drug typical antipsychotic drugs typical antipsychotics CHEBI:65190 first generation antipsychotic first generation antipsychotic agent ChEBI first generation antipsychotic agents ChEBI first generation antipsychotic drug ChEBI first generation antipsychotic drugs ChEBI first generation antipsychotics ChEBI typical antipsychotic ChEBI typical antipsychotic agent ChEBI typical antipsychotic agents ChEBI typical antipsychotic drug ChEBI typical antipsychotic drugs ChEBI typical antipsychotics ChEBI Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements. chebi_ontology atypical antipsychotic atypical antipsychotic agent atypical antipsychotic agents atypical antipsychotic drug atypical antipsychotic drugs atypical antipsychotics second generation antipsychotic agent second generation antipsychotic agents second generation antipsychotic drug second generation antipsychotic drugs second generation antipsychotics CHEBI:65191 second generation antipsychotic atypical antipsychotic ChEBI atypical antipsychotic agent ChEBI atypical antipsychotic agents ChEBI atypical antipsychotic drug ChEBI atypical antipsychotic drugs ChEBI atypical antipsychotics ChEBI second generation antipsychotic agent ChEBI second generation antipsychotic agents ChEBI second generation antipsychotic drug ChEBI second generation antipsychotic drugs ChEBI second generation antipsychotics ChEBI A carbohydrate derivative that is any derivative of a polysaccharide. chebi_ontology polysaccharide derivatives CHEBI:65212 polysaccharide derivative polysaccharide derivatives ChEBI An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of thrombin (EC 3.4.21.5). chebi_ontology E thrombin inhibitor E thrombin inhibitors EC 3.4.21.5 (thrombin) inhibitors EC 3.4.21.5 inhibitor EC 3.4.21.5 inhibitors activated blood-coagulation factor II inhibitor activated blood-coagulation factor II inhibitors beta-thrombin inhibitor beta-thrombin inhibitors blood-coagulation factor IIa inhibitor blood-coagulation factor IIa inhibitors factor IIa inhibitor factor IIa inhibitors fibrinogenase inhibitor fibrinogenase inhibitors gamma-thrombin inhibitor gamma-thrombin inhibitors thrombase inhibitor thrombase inhibitors thrombin (EC 3.4.21.5) inhibitor thrombin (EC 3.4.21.5) inhibitors thrombin inhibitor thrombin inhibitors thrombin-C inhibitor thrombin-C inhibitors thrombofort inhibitor thrombofort inhibitors tropostasin inhibitor tropostasin inhibitors CHEBI:65232 EC 3.4.21.5 (thrombin) inhibitor E thrombin inhibitor ChEBI E thrombin inhibitors ChEBI EC 3.4.21.5 (thrombin) inhibitors ChEBI EC 3.4.21.5 inhibitor ChEBI EC 3.4.21.5 inhibitors ChEBI activated blood-coagulation factor II inhibitor ChEBI activated blood-coagulation factor II inhibitors ChEBI beta-thrombin inhibitor ChEBI beta-thrombin inhibitors ChEBI blood-coagulation factor IIa inhibitor ChEBI blood-coagulation factor IIa inhibitors ChEBI factor IIa inhibitor ChEBI factor IIa inhibitors ChEBI fibrinogenase inhibitor ChEBI fibrinogenase inhibitors ChEBI gamma-thrombin inhibitor ChEBI gamma-thrombin inhibitors ChEBI thrombase inhibitor ChEBI thrombase inhibitors ChEBI thrombin (EC 3.4.21.5) inhibitor ChEBI thrombin (EC 3.4.21.5) inhibitors ChEBI thrombin inhibitor ChEBI thrombin inhibitors ChEBI thrombin-C inhibitor ChEBI thrombin-C inhibitors ChEBI thrombofort inhibitor ChEBI thrombofort inhibitors ChEBI tropostasin inhibitor ChEBI tropostasin inhibitors ChEBI Amidines of general formula RC(=NOH)NR(1)R(2), in which the imino nitrogen is substituted by a hydroxy group. chebi_ontology amidoximes CHEBI:65234 amidoxime amidoximes ChEBI Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. chebi_ontology food preservatives CHEBI:65255 food preservative food preservatives ChEBI A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). chebi_ontology antimicrobial food preservatives antimicrobial preservative antimicrobial preservatives CHEBI:65256 antimicrobial food preservative antimicrobial food preservatives ChEBI antimicrobial preservative ChEBI antimicrobial preservatives ChEBI A compound that inhibits the action of gamma-aminobutyric acid. Wikipedia:GABA_antagonist chebi_ontology GABA antagonists gamma-aminobutyric acid receptor antagonist gamma-aminobutyric acid receptor antagonists CHEBI:65259 GABA antagonist GABA antagonists ChEBI gamma-aminobutyric acid receptor antagonist ChEBI gamma-aminobutyric acid receptor antagonists ChEBI Any substance which is used to neutralise stomach acidity. Wikipedia:Antacid chebi_ontology antacids CHEBI:65265 antacid antacids ChEBI An ammonium ion derivative resulting from the protonation of the nitrogen atom of a primary amino compound. Major species at pH 7.3. +1 H3NR 17.031 17.02655 [NH3+][*] chebi_ontology a primary amine substituted ammonium CHEBI:65296 primary ammonium ion a primary amine UniProt substituted ammonium ChEBI A family of peptide hormones derived from a 191-membered prehormone, secreted by the paraventricular nucleus (PVN) of the hypothalamus in response to stress. The first full sequence was discovered in sheep, those in rats and humans differ from the ovine sequence by 7 amino acids. PMID:22494987 PMID:6267699 Wikipedia:Corticotropin-releasing_hormone chebi_ontology CRH corticotropin-releasing factor CHEBI:65311 corticotropin-releasing hormone PMID:22494987 Europe PMC PMID:6267699 Europe PMC CRH ChEBI corticotropin-releasing factor ChEBI An indole alkaloid which is biosynthesised from L-tryptophan and isoprenoid building blocks. chebi_ontology terpenoid indole alkaloids CHEBI:65321 terpenoid indole alkaloid terpenoid indole alkaloids ChEBI A terpenoid indole alkaloid which is biosynthesised from L-tryptophan and diisoprenoid (usually secolaganin) building blocks. PMID:18280746 PMID:20717879 PMID:21425787 PMID:22679912 chebi_ontology monoterpenoid indole alkaloids CHEBI:65323 monoterpenoid indole alkaloid PMID:18280746 Europe PMC PMID:20717879 Europe PMC PMID:21425787 Europe PMC PMID:22679912 Europe PMC monoterpenoid indole alkaloids ChEBI A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position 0 C22H22ClN6O.K C22H23ClN6O InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) PSIFNNKUMBGKDQ-UHFFFAOYSA-N 422.91100 422.16219 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Beilstein:4770867 CAS:114798-26-4 DrugBank:DB00678 Drug_Central:1610 HMDB:HMDB0014816 KEGG:C07072 KEGG:D08146 LINCS:LSM-3701 PMID:11115412 PMID:11589260 PMID:12561964 PMID:15703421 PMID:18800450 PMID:18800451 PMID:18800458 PMID:18940180 PMID:31299855 PMID:31613648 PMID:31636311 PMID:31893179 PMID:32048541 Patent:EP253310 Patent:US5138069 Reaxys:4770867 Wikipedia:Losartan (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol Losartan chebi_ontology (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol 2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole losartan CHEBI:6541 losartan Beilstein:4770867 Beilstein CAS:114798-26-4 ChemIDplus CAS:114798-26-4 KEGG COMPOUND Drug_Central:1610 DrugCentral PMID:11115412 Europe PMC PMID:11589260 Europe PMC PMID:12561964 Europe PMC PMID:15703421 Europe PMC PMID:18800450 Europe PMC PMID:18800451 Europe PMC PMID:18800458 Europe PMC PMID:18940180 Europe PMC PMID:31299855 Europe PMC PMID:31613648 Europe PMC PMID:31636311 Europe PMC PMID:31893179 Europe PMC PMID:32048541 Europe PMC Reaxys:4770867 Reaxys (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol IUPAC Losartan KEGG_COMPOUND (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol IUPAC 2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole IUPHAR losartan ChemIDplus A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites. Beilstein:1804525 CAS:121-75-5 DrugBank:DB00772 Drug_Central:1626 KEGG:C07497 KEGG:D00534 PMID:16083681 PMID:19399610 PMID:28950791 PMID:29235025 PMID:29792547 PMID:29852369 Reaxys:1804525 Wikipedia:Malathion Malathion rac-diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate chebi_ontology Karbofos Maldison O,O-dimethyl S-(1,2-bis(ethoxycarbonyl)ethyl) O,O-dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate O,O-dimethyl S-(1,2-dicarbethoxyethyl)phosphorodithioate O,O-dimethyl S-1,2-di(ethoxycarbamyl)ethyl O,O-dimethyldithiophosphate diethylmercaptosuccinate [(dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester carbophos diethyl ((dimethoxyphosphinothioyl)thio)butanedioate diethyl (dimethoxyphosphinothioylthio)succinate diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate mercaptothion CHEBI:6651 malathion Beilstein:1804525 ChemIDplus CAS:121-75-5 ChemIDplus CAS:121-75-5 KEGG COMPOUND CAS:121-75-5 NIST Chemistry WebBook Drug_Central:1626 DrugCentral PMID:16083681 Europe PMC PMID:19399610 Europe PMC PMID:28950791 Europe PMC PMID:29235025 Europe PMC PMID:29792547 Europe PMC PMID:29852369 Europe PMC Reaxys:1804525 Reaxys Malathion KEGG_COMPOUND rac-diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate IUPAC Karbofos ChemIDplus Maldison NIST_Chemistry_WebBook O,O-dimethyl S-(1,2-bis(ethoxycarbonyl)ethyl) ChemIDplus O,O-dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate ChemIDplus O,O-dimethyl S-(1,2-dicarbethoxyethyl)phosphorodithioate ChemIDplus O,O-dimethyl S-1,2-di(ethoxycarbamyl)ethyl ChemIDplus O,O-dimethyldithiophosphate diethylmercaptosuccinate ChemIDplus [(dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester NIST_Chemistry_WebBook carbophos NIST_Chemistry_WebBook diethyl ((dimethoxyphosphinothioyl)thio)butanedioate ChEBI diethyl (dimethoxyphosphinothioylthio)succinate ChemIDplus diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate ChEBI mercaptothion NIST_Chemistry_WebBook Any dicarboxylic acid that contains four carbon atoms. chebi_ontology C4-dicarboxylic acids CHEBI:66873 C4-dicarboxylic acid C4-dicarboxylic acids ChEBI A C-nitro compound in which the nitro compound is meta to the amino group and para to the methyl group of o-toluidine. 0 C7H8N2O2 InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3 DSBIJCMXAIKKKI-UHFFFAOYSA-N 152.15060 152.05858 Cc1ccc(cc1N)[N+]([O-])=O CAS:99-55-8 KEGG:C16398 PMID:1650428 Reaxys:879021 2-methyl-5-nitroaniline 5-Nitro-o-toluidine chebi_ontology 1-Amino-2-methyl-5-nitrobenzene 2-Amino-4-nitrotoluene 2-Methyl-5-nitro-benzeneamine 2-Methyl-5-nitrobenzenamine 3-Nitro-6-methylaniline 4-Nitro-2-aminotoluene 5-Nitro-2-methylaniline 5-Nitro-2-toluidine 6-Methyl-3-nitroaniline o-amino-p-nitrotoluene CHEBI:66891 5-nitro-o-toluidine CAS:99-55-8 ChemIDplus CAS:99-55-8 KEGG COMPOUND CAS:99-55-8 NIST Chemistry WebBook PMID:1650428 Europe PMC Reaxys:879021 Reaxys 2-methyl-5-nitroaniline IUPAC 5-Nitro-o-toluidine KEGG_COMPOUND 1-Amino-2-methyl-5-nitrobenzene ChemIDplus 2-Amino-4-nitrotoluene ChemIDplus 2-Methyl-5-nitro-benzeneamine ChemIDplus 2-Methyl-5-nitrobenzenamine ChemIDplus 3-Nitro-6-methylaniline ChemIDplus 4-Nitro-2-aminotoluene ChemIDplus 5-Nitro-2-methylaniline ChemIDplus 5-Nitro-2-toluidine ChemIDplus 6-Methyl-3-nitroaniline ChemIDplus o-amino-p-nitrotoluene ChEBI An aminotoluene in which the amino substituent is ortho to the methyl group. 0 C7H9N InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 RNVCVTLRINQCPJ-UHFFFAOYSA-N 107.15310 107.07350 Cc1ccccc1N CAS:95-53-4 HMDB:HMDB0041965 KEGG:C14403 PMID:21117897 PMID:21320752 PMID:21701861 PMID:22004833 PMID:22574454 PMID:22708702 PMID:22799188 Reaxys:741981 2-methylaniline o-Toluidine chebi_ontology 1-Amino-2-methylbenzene 1-Methyl-2-aminobenzene 2-Amino-1-methylbenzene 2-Aminotoluene 2-Methyl-1-aminobenzene 2-Methylbenzamine 2-Methylbenzenamine 2-Toluidine o-Aminotoluene o-Methylaniline o-Methylbenzenamine o-Tolylamine CHEBI:66892 o-toluidine CAS:95-53-4 ChemIDplus CAS:95-53-4 KEGG COMPOUND CAS:95-53-4 NIST Chemistry WebBook PMID:21117897 Europe PMC PMID:21320752 Europe PMC PMID:21701861 Europe PMC PMID:22004833 Europe PMC PMID:22574454 Europe PMC PMID:22708702 Europe PMC PMID:22799188 Europe PMC Reaxys:741981 Reaxys 2-methylaniline IUPAC o-Toluidine KEGG_COMPOUND 1-Amino-2-methylbenzene ChemIDplus 1-Methyl-2-aminobenzene ChemIDplus 2-Amino-1-methylbenzene ChemIDplus 2-Aminotoluene ChemIDplus 2-Aminotoluene KEGG_COMPOUND 2-Methyl-1-aminobenzene ChemIDplus 2-Methylbenzamine ChemIDplus 2-Methylbenzenamine ChemIDplus 2-Toluidine ChemIDplus o-Aminotoluene ChemIDplus o-Methylaniline ChemIDplus o-Methylbenzenamine ChemIDplus o-Tolylamine ChemIDplus An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N 89.09320 89.04768 CC([NH3+])C([O-])=O 2-azaniumylpropanoate chebi_ontology 2-ammoniopropanoate CHEBI:66916 alanine zwitterion 2-azaniumylpropanoate IUPAC 2-ammoniopropanoate IUPAC Any compound which can be used to treat or alleviate the symptoms of dyskinesia. chebi_ontology antidyskinesia agents antidyskinesia drug antidyskinesia drugs antidyskinetic agent antidyskinetic agents antidyskinetic drug antidyskinetic drugs CHEBI:66956 antidyskinesia agent antidyskinesia agents ChEBI antidyskinesia drug ChEBI antidyskinesia drugs ChEBI antidyskinetic agent ChEBI antidyskinetic agents ChEBI antidyskinetic drug ChEBI antidyskinetic drugs ChEBI Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration. PMID:22393531 PMID:22647316 PMID:22742585 PMID:22795553 PMID:22828638 PMID:22837964 Wikipedia:Nootropic chebi_ontology cognitive enhancer cognitive enhancers intelligence enhancer intelligence enhancers memory enhancer memory enhancers neuro enhancer neuro enhancers nootropic nootropic agents nootropic drug nootropic drugs nootropics smart drug smart drugs CHEBI:66980 nootropic agent PMID:22393531 Europe PMC PMID:22647316 Europe PMC PMID:22742585 Europe PMC PMID:22795553 Europe PMC PMID:22828638 Europe PMC PMID:22837964 Europe PMC cognitive enhancer ChEBI cognitive enhancers ChEBI intelligence enhancer ChEBI intelligence enhancers ChEBI memory enhancer ChEBI memory enhancers ChEBI neuro enhancer ChEBI neuro enhancers ChEBI nootropic ChEBI nootropic agents ChEBI nootropic drug ChEBI nootropic drugs ChEBI nootropics ChEBI smart drug ChEBI smart drugs ChEBI Any compound that is able to protect normal cells from the damage caused by radiation therapy. chebi_ontology radiation mitigation agent radiation mitigation agents radiation protective agents radiation protective drug radiation protective drugs radioprotective agent radioprotective agents radioprotector radioprotectors CHEBI:66987 radiation protective agent radiation mitigation agent ChEBI radiation mitigation agents ChEBI radiation protective agents ChEBI radiation protective drug ChEBI radiation protective drugs ChEBI radioprotective agent ChEBI radioprotective agents ChEBI radioprotector ChEBI radioprotectors ChEBI Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS). Wikipedia:Sympatholytic chebi_ontology sympatholytic sympatholytic agents sympatholytic drug sympatholytic drugs sympatholytics CHEBI:66991 sympatholytic agent sympatholytic ChEBI sympatholytic agents ChEBI sympatholytic drug ChEBI sympatholytic drugs ChEBI sympatholytics ChEBI Any compound used to suppress premature labour and immature birth by suppressing uterine contractions. Wikipedia:Tocolytic chebi_ontology anti-contraction drug anti-contraction drugs anti-contraction medication anti-contraction medications labour repressant labour repressants tocolytic tocolytic agents tocolytic drug tocolytic drugs tocolytics CHEBI:66993 tocolytic agent anti-contraction drug ChEBI anti-contraction drugs ChEBI anti-contraction medication ChEBI anti-contraction medications ChEBI labour repressant ChEBI labour repressants ChEBI tocolytic ChEBI tocolytic agents ChEBI tocolytic drug ChEBI tocolytic drugs ChEBI tocolytics ChEBI An N-acyl-L-alpha-amino acid anion obtained by deprotonation of any folic acid. chebi_ontology folate folate anion folate anions CHEBI:67011 folates folate ChEBI folate anion ChEBI folate anions ChEBI A L-alpha-amino acid anion which is the conjugate base of L-dopa, obtained by deprotonation of the carboxy group: major species at pH 7.3. -1 C9H10NO4 InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/p-1/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-M 196.18000 196.06153 N[C@@H](Cc1ccc(O)c(O)c1)C([O-])=O (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate chebi_ontology L-dopa carboxylate CHEBI:67012 L-dopa(1-) (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate IUPAC L-dopa carboxylate ChEBI Any branched-chain fatty acid anion containing methyl branches only. chebi_ontology methyl-branched fatty acid anions CHEBI:67013 methyl-branched fatty acid anion methyl-branched fatty acid anions ChEBI A folate obtained by deprotonation of any tetrahydrofolic acid. chebi_ontology tetrahydrofolate anion tetrahydrofolate anions tetrahydrofolates CHEBI:67016 tetrahydrofolate tetrahydrofolate tetrahydrofolate anion ChEBI tetrahydrofolate anions ChEBI tetrahydrofolates ChEBI An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups of glyphosate. -2 C3H6NO5P InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-2 XDDAORKBJWWYJS-UHFFFAOYSA-L 167.05720 166.99946 OP([O-])(=O)CNCC([O-])=O {[(hydroxyphosphinato)methyl]amino}acetate chebi_ontology glyphosate anion(2-) CHEBI:67052 glyphosate(2-) {[(hydroxyphosphinato)methyl]amino}acetate IUPAC glyphosate anion(2-) ChEBI An agonist that binds to and activates cannabinoid receptors. Wikipedia:Cannabinoid_receptor chebi_ontology cannabinoid receptor agonists CHEBI:67072 cannabinoid receptor agonist cannabinoid receptor agonists ChEBI Any compound that has anti-inflammatory effects. chebi_ontology anti-inflammatory agents antiinflammatory agent antiinflammatory agents CHEBI:67079 anti-inflammatory agent anti-inflammatory agents ChEBI antiinflammatory agent ChEBI antiinflammatory agents ChEBI A chemosterilant intended to sterilize insects. chebi_ontology insect chemosterilant insect chemosterilants insect sterilants CHEBI:67105 insect sterilant insect chemosterilant ChEBI insect chemosterilants ChEBI insect sterilants ChEBI A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction. PMID:30679133 PMID:30684528 PMID:31840405 PMID:8597061 Wikipedia:Ryanodine_receptor chebi_ontology RyR activator RyR activators RyR agonist RyR agonists RyRs activator RyRs agonist ryanodine receptor activator ryanodine receptor activators CHEBI:67114 ryanodine receptor agonist PMID:30679133 Europe PMC PMID:30684528 Europe PMC PMID:31840405 Europe PMC PMID:8597061 Europe PMC RyR activator ChEBI RyR activators ChEBI RyR agonist ChEBI RyR agonists ChEBI RyRs activator ChEBI RyRs agonist ChEBI ryanodine receptor activator ChEBI ryanodine receptor activators ChEBI A molecule that can substitute for a normal nucleobase in nucleic acids. Wikipedia:Base_analog chebi_ontology base analog base analogs base analogue base analogues nucleobase analog nucleobase analogs nucleobase analogues CHEBI:67142 nucleobase analogue base analog ChEBI base analogs ChEBI base analogue ChEBI base analogues ChEBI nucleobase analog ChEBI nucleobase analogs ChEBI nucleobase analogues ChEBI An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis. 0 C15H15NO2 InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N 241.28510 241.11028 Cc1cccc(Nc2ccccc2C(O)=O)c1C CAS:61-68-7 DrugBank:DB00784 Drug_Central:1663 HMDB:HMDB0014922 KEGG:C02168 KEGG:D00151 LINCS:LSM-4085 PDBeChem:ID8 PMID:14001132 PMID:17330662 PMID:22275128 PMID:22369458 PMID:23402341 PMID:23494912 PMID:23656341 PMID:2684858 PMID:28166217 PMID:3304401 PMID:4212650 PMID:425903 PMID:4916242 PMID:5286553 PMID:577447 PMID:6155061 Patent:BE605302 Patent:US3138636 Reaxys:2216243 Wikipedia:Mefenamic_acid 2-[(2,3-dimethylphenyl)amino]benzoic acid chebi_ontology CI-473 CN 35355 CN-35355 INF 3355 INF-3355 Mefenaminsaeure N-(2,3-xylyl)-2-aminobenzoic acid N-2,3-xylylanthranilic acid Ponstel acide mefenamique acido mefenamico acidum mefenamicum mefenamic acid CHEBI:6717 mefenamic acid CAS:61-68-7 ChemIDplus CAS:61-68-7 KEGG COMPOUND CAS:61-68-7 NIST Chemistry WebBook Drug_Central:1663 DrugCentral PMID:14001132 Europe PMC PMID:17330662 Europe PMC PMID:22275128 Europe PMC PMID:22369458 Europe PMC PMID:23402341 Europe PMC PMID:23494912 Europe PMC PMID:23656341 Europe PMC PMID:2684858 Europe PMC PMID:28166217 Europe PMC PMID:3304401 Europe PMC PMID:4212650 Europe PMC PMID:425903 Europe PMC PMID:4916242 Europe PMC PMID:5286553 Europe PMC PMID:577447 Europe PMC PMID:6155061 Europe PMC Reaxys:2216243 Reaxys 2-[(2,3-dimethylphenyl)amino]benzoic acid IUPAC CI-473 ChemIDplus CN 35355 ChemIDplus CN-35355 ChemIDplus INF 3355 ChemIDplus INF-3355 ChemIDplus Mefenaminsaeure ChemIDplus N-(2,3-xylyl)-2-aminobenzoic acid ChemIDplus N-2,3-xylylanthranilic acid ChemIDplus Ponstel KEGG_DRUG acide mefenamique WHO_MedNet acido mefenamico WHO_MedNet acidum mefenamicum ChemIDplus mefenamic acid ChemIDplus An EC 3.4.24.* (metalloendopeptidase) inhibitor which interferes with the action of microbial collagenase (EC 3.4.24.3, also formerly EC 3.4.4.19 and EC 3.4.99.5). chebi_ontology Achromobacter iophagus collagenase inhibitor Achromobacter iophagus collagenase inhibitors Clostridium histolyticum collagenase inhibitor Clostridium histolyticum collagenase inhibitors Clostridium histolyticum proteinase A inhibitor Clostridium histolyticum proteinase A inhibitors EC 3.4.24.3 (microbial collagenase) inhibitors EC 3.4.24.3 inhibitor EC 3.4.24.3 inhibitors MMP-1 inhibitor MMP-1 inhibitors MMP-8 inhibitor MMP-8 inhibitors aspergillopeptidase C inhibitor aspergillopeptidase C inhibitors azocollase inhibitor azocollase inhibitors clostridiopeptidase A inhibitor clostridiopeptidase A inhibitors clostridiopeptidase I inhibitor clostridiopeptidase I inhibitors clostridiopeptidase II inhibitor clostridiopeptidase II inhibitors collagen peptidase inhibitor collagen peptidase inhibitors collagen protease inhibitor collagen protease inhibitors collagenase A inhibitor collagenase A inhibitors collagenase I inhibitor collagenase I inhibitors collagenase MMP-1 inhibitor collagenase MMP-1 inhibitors collagenase inhibitor collagenase inhibitors interstitial collagenase inhibitor interstitial collagenase inhibitors kollaza inhibitor kollaza inhibitors matrix metalloproteinase-1 inhibitor matrix metalloproteinase-1 inhibitors matrix metalloproteinase-18 inhibitor matrix metalloproteinase-18 inhibitors matrix metalloproteinase-8 inhibitor matrix metalloproteinase-8 inhibitors metallocollagenase inhibitor metallocollagenase inhibitors metalloproteinase-1 inhibitor metalloproteinase-1 inhibitors microbial collagenase (EC 3.4.24.3) inhibitor microbial collagenase (EC 3.4.24.3) inhibitors microbial collagenase inhibitor microbial collagenase inhibitors nucleolysin inhibitor nucleolysin inhibitors soycollagestin inhibitor soycollagestin inhibitors CHEBI:67189 EC 3.4.24.3 (microbial collagenase) inhibitor Achromobacter iophagus collagenase inhibitor ChEBI Achromobacter iophagus collagenase inhibitors ChEBI Clostridium histolyticum collagenase inhibitor ChEBI Clostridium histolyticum collagenase inhibitors ChEBI Clostridium histolyticum proteinase A inhibitor ChEBI Clostridium histolyticum proteinase A inhibitors ChEBI EC 3.4.24.3 (microbial collagenase) inhibitors ChEBI EC 3.4.24.3 inhibitor ChEBI EC 3.4.24.3 inhibitors ChEBI MMP-1 inhibitor ChEBI MMP-1 inhibitors ChEBI MMP-8 inhibitor ChEBI MMP-8 inhibitors ChEBI aspergillopeptidase C inhibitor ChEBI aspergillopeptidase C inhibitors ChEBI azocollase inhibitor ChEBI azocollase inhibitors ChEBI clostridiopeptidase A inhibitor ChEBI clostridiopeptidase A inhibitors ChEBI clostridiopeptidase I inhibitor ChEBI clostridiopeptidase I inhibitors ChEBI clostridiopeptidase II inhibitor ChEBI clostridiopeptidase II inhibitors ChEBI collagen peptidase inhibitor ChEBI collagen peptidase inhibitors ChEBI collagen protease inhibitor ChEBI collagen protease inhibitors ChEBI collagenase A inhibitor ChEBI collagenase A inhibitors ChEBI collagenase I inhibitor ChEBI collagenase I inhibitors ChEBI collagenase MMP-1 inhibitor ChEBI collagenase MMP-1 inhibitors ChEBI collagenase inhibitor ChEBI collagenase inhibitors ChEBI interstitial collagenase inhibitor ChEBI interstitial collagenase inhibitors ChEBI kollaza inhibitor ChEBI kollaza inhibitors ChEBI matrix metalloproteinase-1 inhibitor ChEBI matrix metalloproteinase-1 inhibitors ChEBI matrix metalloproteinase-18 inhibitor ChEBI matrix metalloproteinase-18 inhibitors ChEBI matrix metalloproteinase-8 inhibitor ChEBI matrix metalloproteinase-8 inhibitors ChEBI metallocollagenase inhibitor ChEBI metallocollagenase inhibitors ChEBI metalloproteinase-1 inhibitor ChEBI metalloproteinase-1 inhibitors ChEBI microbial collagenase (EC 3.4.24.3) inhibitor ChEBI microbial collagenase (EC 3.4.24.3) inhibitors ChEBI microbial collagenase inhibitor ChEBI microbial collagenase inhibitors ChEBI nucleolysin inhibitor ChEBI nucleolysin inhibitors ChEBI soycollagestin inhibitor ChEBI soycollagestin inhibitors ChEBI A diverse group of pharmacologically active secondary metabolite characteristic to Cannabis plant as well as produced naturally in the body by humans and animals. Cannabinoids contain oxygen as a part of the heterocyclic ring or in the form of various functional groups. They are subdivided on the basis of their origin. PMID:22234284 PMID:22530636 PMID:22555283 Wikipedia:Cannabinoid chebi_ontology cannabinoids CHEBI:67194 cannabinoid PMID:22234284 Europe PMC PMID:22530636 Europe PMC PMID:22555283 Europe PMC cannabinoids ChEBI An inhibitor that interferes with the process of gap junctional intercellular communication. Wikipedia:Gap_junction chebi_ontology gap junctional intercellular communication inhibitors CHEBI:67195 gap junctional intercellular communication inhibitor gap junctional intercellular communication inhibitors ChEBI An agonist that selectively binds to and activates a retinoic acid receptor. Wikipedia:Retinoic_acid_receptor chebi_ontology retinoic acid receptor agonists CHEBI:67198 retinoic acid receptor agonist retinoic acid receptor agonists ChEBI An antogonist that interferes with the action of activator protein 1 (AP-1). Wikipedia:Activator_protein_1 chebi_ontology AP-1 antagonists activator protein-1 antagonist activator protein-1 antagonists CHEBI:67199 AP-1 antagonist AP-1 antagonists ChEBI activator protein-1 antagonist ChEBI activator protein-1 antagonists ChEBI A provitamin that can be converted into vitamin A by enzymes from animal tissues. chebi_ontology provitamin As CHEBI:67200 provitamin A provitamin As ChEBI A ribonucleic acid with two complementary strands, similar to the DNA found in all cells. Wikipedia:RNA#Double-stranded_RNA chebi_ontology double stranded ribonucleic acid dsRNA CHEBI:67208 double-stranded RNA double stranded ribonucleic acid ChEBI dsRNA ChEBI An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20). CHEBI:50628 Wikipedia:Alpha-glucosidase_inhibitor chebi_ontology EC 3.2.1.20 (alpha-glucosidase) inhibitors EC 3.2.1.20 inhibitor EC 3.2.1.20 inhibitors alpha-1,4-glucosidase inhibitor alpha-1,4-glucosidase inhibitors alpha-D-glucosidase inhibitor alpha-D-glucosidase inhibitors alpha-glucopyranosidase inhibitor alpha-glucopyranosidase inhibitors alpha-glucosidase (EC 3.2.1.20) inhibitor alpha-glucosidase (EC 3.2.1.20) inhibitors alpha-glucosidase inhibitor alpha-glucosidase inhibitors alpha-glucoside hydrolase inhibitor alpha-glucoside hydrolase inhibitors glucoinvertase inhibitor glucoinvertase inhibitors glucosidoinvertase inhibitor glucosidoinvertase inhibitors glucosidosucrase inhibitor glucosidosucrase inhibitors maltase inhibitor maltase inhibitors maltase-glucoamylase inhibitor maltase-glucoamylase inhibitors CHEBI:67239 EC 3.2.1.20 (alpha-glucosidase) inhibitor EC 3.2.1.20 (alpha-glucosidase) inhibitors ChEBI EC 3.2.1.20 inhibitor ChEBI EC 3.2.1.20 inhibitors ChEBI alpha-1,4-glucosidase inhibitor ChEBI alpha-1,4-glucosidase inhibitors ChEBI alpha-D-glucosidase inhibitor ChEBI alpha-D-glucosidase inhibitors ChEBI alpha-glucopyranosidase inhibitor ChEBI alpha-glucopyranosidase inhibitors ChEBI alpha-glucosidase (EC 3.2.1.20) inhibitor ChEBI alpha-glucosidase (EC 3.2.1.20) inhibitors ChEBI alpha-glucosidase inhibitor ChEBI alpha-glucosidase inhibitors ChEBI alpha-glucoside hydrolase inhibitor ChEBI alpha-glucoside hydrolase inhibitors ChEBI glucoinvertase inhibitor ChEBI glucoinvertase inhibitors ChEBI glucosidoinvertase inhibitor ChEBI glucosidoinvertase inhibitors ChEBI glucosidosucrase inhibitor ChEBI glucosidosucrase inhibitors ChEBI maltase inhibitor ChEBI maltase inhibitors ChEBI maltase-glucoamylase inhibitor ChEBI maltase-glucoamylase inhibitors ChEBI A diketone in which the two keto groups are separated by a single carbon atom. chebi_ontology 1,3-diketone 1,3-diketones beta-diketones CHEBI:67265 beta-diketone 1,3-diketone ChEBI 1,3-diketones ChEBI beta-diketones ChEBI A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops. 0 C15H21NO4 279.332 279.14706 CAS:57837-19-1 HMDB:HMDB0031802 KEGG:C10947 PMID:15620255 PMID:21315406 PMID:23242257 PMID:23277323 PMID:23452208 PMID:23635317 PMID:23722178 PMID:23768319 PMID:24080002 PMID:24174372 PMID:24302540 PMID:24791955 PMID:25044468 Patent:DE2515091 Patent:US4151299 Pesticides:metalaxyl Reaxys:2947777 Wikipedia:Metalaxyl Metalaxyl rac-methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate chebi_ontology (+-)-metalaxyl (RS)-metalaxyl D,L-N-(2,6-dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester methyl 2-[(methoxyacetyl)-2,6-dimethylanilino]propanoate methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate rac-metalaxyl CHEBI:6790 metalaxyl CAS:57837-19-1 ChemIDplus CAS:57837-19-1 KEGG COMPOUND CAS:57837-19-1 NIST Chemistry WebBook PMID:15620255 Europe PMC PMID:21315406 Europe PMC PMID:23242257 Europe PMC PMID:23277323 Europe PMC PMID:23452208 Europe PMC PMID:23635317 Europe PMC PMID:23722178 Europe PMC PMID:23768319 Europe PMC PMID:24080002 Europe PMC PMID:24174372 Europe PMC PMID:24302540 Europe PMC PMID:24791955 Europe PMC PMID:25044468 Europe PMC Pesticides:metalaxyl Alan Wood's Pesticides Reaxys:2947777 Reaxys Metalaxyl KEGG_COMPOUND rac-methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate IUPAC (+-)-metalaxyl ChemIDplus (RS)-metalaxyl ChEBI D,L-N-(2,6-dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle ChemIDplus N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester ChemIDplus methyl 2-[(methoxyacetyl)-2,6-dimethylanilino]propanoate NIST_Chemistry_WebBook methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate NIST_Chemistry_WebBook methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate ChemIDplus rac-metalaxyl ChEBI A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, a methyl group at position 3 and a phenyl group at position 6. 0 C10H10N4O InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N 202.21260 202.08546 Cc1nnc(-c2ccccc2)c(=O)n1N CAS:41394-05-2 KEGG:C10930 PMID:23135307 PMID:24240634 PPDB:448 Pesticides:metamitron Reaxys:613129 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one chebi_ontology Goltix CHEBI:6791 metamitron CAS:41394-05-2 ChemIDplus CAS:41394-05-2 KEGG COMPOUND PMID:23135307 Europe PMC PMID:24240634 Europe PMC Pesticides:metamitron Alan Wood's Pesticides Reaxys:613129 Reaxys 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one IUPAC Goltix KEGG_COMPOUND An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom. 0 C14H16ClN3O InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3 STEPQTYSZVCJPV-UHFFFAOYSA-N 277.74900 277.09819 Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl CAS:67129-08-2 KEGG:C10948 PMID:24500566 PMID:24630449 PMID:24646672 PPDB:450 Pesticides:metazachlor Reaxys:621550 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide chebi_ontology CHEBI:6798 metazachlor CAS:67129-08-2 ChemIDplus CAS:67129-08-2 KEGG COMPOUND CAS:67129-08-2 NIST Chemistry WebBook PMID:24500566 Europe PMC PMID:24630449 Europe PMC PMID:24646672 Europe PMC Pesticides:metazachlor Alan Wood's Pesticides Reaxys:621550 Reaxys 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide IUPAC A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. 0 C4H11N5 InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N 129.167 129.10145 CN(C)C(=N)NC(N)=N CAS:657-24-9 DrugBank:DB00331 Drug_Central:1725 FooDB:FDB022739 HMDB:HMDB0001921 KEGG:C07151 KEGG:D04966 LINCS:LSM-4730 PDBeChem:MF8 PMID:10900588 PMID:10983737 PMID:10999803 PMID:11012555 PMID:11126815 PMID:11192132 PMID:11257323 PMID:11544610 PMID:11772907 PMID:12086935 PMID:12406042 PMID:12436333 PMID:12630933 PMID:12909816 PMID:15261814 PMID:15606381 PMID:15650645 PMID:15717887 PMID:15932841 PMID:16294070 PMID:16520442 PMID:16941277 PMID:17062558 PMID:18212742 PMID:18608522 PMID:23077661 PMID:23540700 PMID:24428821 PMID:28919040 PMID:31208831 PMID:33191721 Reaxys:606492 Wikipedia:Metformin N,N-dimethyltriimidodicarbonic diamide chebi_ontology 1,1-dimethylbiguanide LA 6023 LA-6023 N(1),N(1)-dimethylbiguanide N,N-dimethylbiguanide N,N-dimethyldiguanide N,N-dimethylguanylguanidine N,N-dimethylimidodicarbonimidic diamide dimethylbiguanide dimethyldiguanide metformin metformina metformine metforminum CHEBI:6801 metformin CAS:657-24-9 ChemIDplus CAS:657-24-9 KEGG COMPOUND Drug_Central:1725 DrugCentral PMID:10900588 Europe PMC PMID:10983737 Europe PMC PMID:10999803 Europe PMC PMID:11012555 Europe PMC PMID:11126815 Europe PMC PMID:11192132 Europe PMC PMID:11257323 Europe PMC PMID:11544610 Europe PMC PMID:11772907 Europe PMC PMID:12086935 Europe PMC PMID:12406042 Europe PMC PMID:12436333 Europe PMC PMID:12630933 Europe PMC PMID:12909816 Europe PMC PMID:15261814 Europe PMC PMID:15606381 Europe PMC PMID:15650645 Europe PMC PMID:15717887 Europe PMC PMID:15932841 Europe PMC PMID:16294070 Europe PMC PMID:16520442 Europe PMC PMID:16941277 Europe PMC PMID:17062558 Europe PMC PMID:18212742 Europe PMC PMID:18608522 Europe PMC PMID:23077661 Europe PMC PMID:23540700 Europe PMC PMID:24428821 Europe PMC PMID:28919040 Europe PMC PMID:31208831 Europe PMC PMID:33191721 Europe PMC Reaxys:606492 Reaxys N,N-dimethyltriimidodicarbonic diamide IUPAC 1,1-dimethylbiguanide ChemIDplus LA 6023 DrugBank LA-6023 ChemIDplus N(1),N(1)-dimethylbiguanide ChemIDplus N,N-dimethylbiguanide ChemIDplus N,N-dimethyldiguanide ChemIDplus N,N-dimethylguanylguanidine DrugCentral N,N-dimethylimidodicarbonimidic diamide IUPAC dimethylbiguanide ChemIDplus dimethyldiguanide ChemIDplus metformin WHO_MedNet metformina WHO_MedNet metformine WHO_MedNet metforminum WHO_MedNet A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride. 0 C4H12ClN5 InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H OETHQSJEHLVLGH-UHFFFAOYSA-N 165.625 165.07812 NC(=N)NC(=N)N(C)C.Cl CHEBI:90684 CAS:1115-70-4 DrugBank:DB00331 KEGG:D00944 PMID:24621340 PMID:25281145 PMID:25463179 PMID:25720824 PMID:25935176 PMID:25978011 PMID:26373206 PMID:26394019 PMID:26454593 Reaxys:3626131 Wikipedia:Metformin N,N-dimethylimidodicarbonimidic diamide hydrochloride chebi_ontology 1,1-Dimethylbiguanide hydrochloride 1,1-Dimethylbiguanide monohydrochloride Dimethylbiguanide hydrochloride Glucophage Metformin HCl Metformin monohydrochloride Metiguanide monohydrochloride N,N-Dimethylbiguanide hydrochloride N1,N1-Dimethylbiguanide CHEBI:6802 metformin hydrochloride CAS:1115-70-4 ChemIDplus CAS:1115-70-4 KEGG DRUG PMID:24621340 Europe PMC PMID:25281145 Europe PMC PMID:25463179 Europe PMC PMID:25720824 Europe PMC PMID:25935176 Europe PMC PMID:25978011 Europe PMC PMID:26373206 Europe PMC PMID:26394019 Europe PMC PMID:26454593 Europe PMC Reaxys:3626131 Reaxys N,N-dimethylimidodicarbonimidic diamide hydrochloride IUPAC 1,1-Dimethylbiguanide hydrochloride ChemIDplus 1,1-Dimethylbiguanide monohydrochloride ChemIDplus Dimethylbiguanide hydrochloride ChemIDplus Glucophage KEGG_DRUG Metformin HCl ChemIDplus Metformin monohydrochloride ChemIDplus Metiguanide monohydrochloride ChemIDplus N,N-Dimethylbiguanide hydrochloride ChemIDplus N1,N1-Dimethylbiguanide ChemIDplus A quaternary ammonium ion in which the nitrogen is substituted with three methyl groups and a 2-acetoxypropyl group. Parasympathomimetic bronchoconstrictor drug used in clinical diagnosis. +1 C8H18NO2 InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1 NZWOPGCLSHLLPA-UHFFFAOYSA-N 160.23406 160.13321 CC(C[N+](C)(C)C)OC(C)=O Beilstein:1769932 CAS:55-92-5 DrugBank:DB06709 Drug_Central:1726 KEGG:C07471 LINCS:LSM-6405 PMID:12128066 PMID:15275856 PMID:15694846 PMID:16477439 PMID:18775882 PMID:19589828 PMID:22826043 PMID:22981792 PMID:23429803 PMID:8124805 PMID:8420242 Wikipedia:Methacholine 2-acetyloxy-N,N,N-trimethylpropan-1-aminium Methacholine chebi_ontology Acetyl-beta-methylcholine Acetylmethylcholine MCh CHEBI:6804 methacholine Beilstein:1769932 Beilstein CAS:55-92-5 ChemIDplus CAS:55-92-5 KEGG COMPOUND Drug_Central:1726 DrugCentral PMID:12128066 Europe PMC PMID:15275856 Europe PMC PMID:15694846 Europe PMC PMID:16477439 Europe PMC PMID:18775882 Europe PMC PMID:19589828 Europe PMC PMID:22826043 Europe PMC PMID:22981792 Europe PMC PMID:23429803 Europe PMC PMID:8124805 Europe PMC PMID:8420242 Europe PMC 2-acetyloxy-N,N,N-trimethylpropan-1-aminium IUPAC Methacholine KEGG_COMPOUND Acetyl-beta-methylcholine KEGG_COMPOUND Acetylmethylcholine ChemIDplus MCh ChEBI A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction. 0 C21H27NO 309.453 309.20926 Beilstein:3213669 CAS:76-99-3 Chemspider:3953 DrugBank:DB00333 Drug_Central:1728 HMDB:HMDB0014477 KEGG:C07163 KEGG:D08195 PMID:15106230 PMID:16097397 PMID:18628169 PMID:24117196 PMID:24157336 PMID:24489693 PMID:31262889 PMID:32302325 PMID:32530053 PMID:32564328 PMID:32586692 PMID:33323695 PMID:33428191 PMID:33432486 PMID:33454797 PMID:33475438 Reaxys:2221454 Wikipedia:Methadone rac-6-(dimethylamino)-4,4-diphenylheptan-3-one chebi_ontology (+-)-methadone (6RS)-6-(dimethylamino)-4,4-diphenylheptan-3-one (RS)-methadone dl-methadone metadona methadone methadonum rac-6-dimethylamino-4,4-diphenyl-3-heptanone racemic methadone CHEBI:6807 methadone Beilstein:3213669 Beilstein CAS:76-99-3 ChemIDplus CAS:76-99-3 NIST Chemistry WebBook Drug_Central:1728 DrugCentral PMID:15106230 Europe PMC PMID:16097397 Europe PMC PMID:18628169 Europe PMC PMID:24117196 Europe PMC PMID:24157336 Europe PMC PMID:24489693 Europe PMC PMID:31262889 Europe PMC PMID:32302325 Europe PMC PMID:32530053 Europe PMC PMID:32564328 Europe PMC PMID:32586692 Europe PMC PMID:33323695 Europe PMC PMID:33428191 Europe PMC PMID:33432486 Europe PMC PMID:33454797 Europe PMC PMID:33475438 Europe PMC Reaxys:2221454 Reaxys rac-6-(dimethylamino)-4,4-diphenylheptan-3-one IUPAC (+-)-methadone ChemIDplus (6RS)-6-(dimethylamino)-4,4-diphenylheptan-3-one IUPAC (RS)-methadone ChEBI dl-methadone NIST_Chemistry_WebBook metadona WHO_MedNet methadone WHO_MedNet methadonum WHO_MedNet rac-6-dimethylamino-4,4-diphenyl-3-heptanone ChEBI racemic methadone ChEBI A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent. 0 C10H15N InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N 149.23284 149.12045 CN[C@@H](C)Cc1ccccc1 Beilstein:2207147 CAS:537-46-2 DrugBank:DB01577 Drug_Central:1732 HMDB:HMDB0015517 KEGG:C07164 KEGG:D08187 PDBeChem:B40 PMID:11221576 PMID:11406298 PMID:11711870 PMID:11717374 PMID:11829406 PMID:11831503 PMID:11847428 PMID:11896153 PMID:11984857 PMID:14645148 PMID:14769818 PMID:15380623 PMID:15542724 PMID:15542728 PMID:15808793 PMID:18279499 PMID:18509037 PMID:18521756 PMID:18991860 PMID:18991862 PMID:19269222 PMID:19384581 PMID:19576287 PMID:19732271 PMID:24349338 PMID:25724762 PMID:26302754 PMID:26541330 PMID:26568405 PMID:26683901 PMID:26775284 PMID:26992824 PMID:27232669 Reaxys:2207147 Wikipedia:Methamphetamine (2S)-N-methyl-1-phenylpropan-2-amine Methamphetamine chebi_ontology (+)-(S)-N-alpha-dimethylphenethylamine (S)-N,alpha-dimethylbenzeneethanamine (alphaS)-N,alpha-dimethylbenzeneethanamine d-1-phenyl-2-methylaminopropane d-N-methylamphetamine d-deoxyephedrine d-desoxyephedrine d-phenylisopropylmethylamine dextromethamphetamine metamfetamine metamfetaminum metanfetamina methyl-beta-phenylisopropylamine CHEBI:6809 methamphetamine Beilstein:2207147 Beilstein CAS:537-46-2 ChemIDplus CAS:537-46-2 KEGG COMPOUND CAS:537-46-2 NIST Chemistry WebBook Drug_Central:1732 DrugCentral PMID:11221576 Europe PMC PMID:11406298 Europe PMC PMID:11711870 Europe PMC PMID:11717374 Europe PMC PMID:11829406 Europe PMC PMID:11831503 Europe PMC PMID:11847428 Europe PMC PMID:11896153 Europe PMC PMID:11984857 Europe PMC PMID:14645148 Europe PMC PMID:14769818 Europe PMC PMID:15380623 Europe PMC PMID:15542724 Europe PMC PMID:15542728 Europe PMC PMID:15808793 Europe PMC PMID:18279499 Europe PMC PMID:18509037 Europe PMC PMID:18521756 Europe PMC PMID:18991860 Europe PMC PMID:18991862 Europe PMC PMID:19269222 Europe PMC PMID:19384581 Europe PMC PMID:19576287 Europe PMC PMID:19732271 Europe PMC PMID:24349338 Europe PMC PMID:25724762 Europe PMC PMID:26302754 Europe PMC PMID:26541330 Europe PMC PMID:26568405 Europe PMC PMID:26683901 Europe PMC PMID:26775284 Europe PMC PMID:26992824 Europe PMC PMID:27232669 Europe PMC Reaxys:2207147 Reaxys (2S)-N-methyl-1-phenylpropan-2-amine IUPAC Methamphetamine KEGG_COMPOUND (+)-(S)-N-alpha-dimethylphenethylamine NIST_Chemistry_WebBook (S)-N,alpha-dimethylbenzeneethanamine ChemIDplus (alphaS)-N,alpha-dimethylbenzeneethanamine ChemIDplus d-1-phenyl-2-methylaminopropane ChemIDplus d-N-methylamphetamine ChemIDplus d-deoxyephedrine ChemIDplus d-desoxyephedrine ChemIDplus d-phenylisopropylmethylamine ChemIDplus dextromethamphetamine ChEBI metamfetamine WHO_MedNet metamfetaminum WHO_MedNet metanfetamina WHO_MedNet methyl-beta-phenylisopropylamine NIST_Chemistry_WebBook A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. 0 C6H12N4 InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2 VKYKSIONXSXAKP-UHFFFAOYSA-N 140.18644 140.10620 C1N2CN3CN1CN(C2)C3 Beilstein:2018 CAS:100-97-0 Drug_Central:3344 Gmelin:26964 HMDB:HMDB0029598 KEGG:D00393 LINCS:LSM-5440 PMID:13186006 PMID:22365691 PMID:24641608 Patent:US2762799 Patent:US2762800 Reaxys:2018 Wikipedia:Methenamine 1,3,5,7-tetraazaadamantane hexamethylenetetramine chebi_ontology 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane HMT HMTA Hexamethylentetramin Uritone Urotropin hexamethylenamine hexamethylene tetramine hexamethylentetraminum hexamine hexaminum metenamina methenamine methenaminum CHEBI:6824 hexamethylenetetramine Beilstein:2018 Beilstein CAS:100-97-0 ChemIDplus CAS:100-97-0 NIST Chemistry WebBook Drug_Central:3344 DrugCentral Gmelin:26964 Gmelin PMID:13186006 Europe PMC PMID:22365691 Europe PMC PMID:24641608 Europe PMC Reaxys:2018 Reaxys 1,3,5,7-tetraazaadamantane IUPAC hexamethylenetetramine NIST_Chemistry_WebBook 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane IUPAC HMT NIST_Chemistry_WebBook HMTA NIST_Chemistry_WebBook Hexamethylentetramin NIST_Chemistry_WebBook Uritone ChemIDplus Urotropin ChemIDplus hexamethylenamine ChemIDplus hexamethylene tetramine ChemIDplus hexamethylentetraminum ChemIDplus hexamine ChemIDplus hexaminum ChemIDplus metenamina ChemIDplus methenamine ChEBI methenamine ChemIDplus methenaminum ChemIDplus A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime. 0 C5H10N2O2S InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8) UHXUZOCRWCRNSJ-UHFFFAOYSA-N 162.21118 162.04630 CNC(=O)ON=C(C)SC Beilstein:2042050 CAS:16752-77-5 HMDB:HMDB0031804 KEGG:C11196 LINCS:LSM-24991 PMID:11327381 PMID:11758270 PPDB:458 Pesticides:methomyl Reaxys:2042050 Wikipedia:Methomyl Methomyl methyl N-(methylcarbamoyloxy)ethanimidothioate chebi_ontology 1-(Methylthio)acetaldehyde O-methylcarbamoyloxime 1-(Methylthio)ethylideneamino methylcarbamate Lannate Methomyl lannate N-(((methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester S-Methyl N-(methylcarbamoyloxy)thioacetimidate CHEBI:6835 methomyl Beilstein:2042050 Beilstein CAS:16752-77-5 ChemIDplus CAS:16752-77-5 KEGG COMPOUND CAS:16752-77-5 NIST Chemistry WebBook PMID:11327381 Europe PMC PMID:11758270 Europe PMC Pesticides:methomyl Alan Wood's Pesticides Reaxys:2042050 Reaxys Methomyl KEGG_COMPOUND methyl N-(methylcarbamoyloxy)ethanimidothioate IUPAC 1-(Methylthio)acetaldehyde O-methylcarbamoyloxime ChemIDplus 1-(Methylthio)ethylideneamino methylcarbamate ChemIDplus Lannate ChemIDplus Methomyl lannate NIST_Chemistry_WebBook N-(((methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester ChemIDplus S-Methyl N-(methylcarbamoyloxy)thioacetimidate ChemIDplus 0 C16H15Cl3O2 InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3 IAKOZHOLGAGEJT-UHFFFAOYSA-N 345.64720 344.01376 COc1ccc(cc1)C(c1ccc(OC)cc1)C(Cl)(Cl)Cl Beilstein:2057367 CAS:72-43-5 Gmelin:513417 KEGG:C11043 LINCS:LSM-37160 PPDB:460 VSDB:460 1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene) Methoxychlor chebi_ontology 1,1,1-trichloro-2,2-bis(p-anisyl)ethane 1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane 1,1,1-trichloro-2,2-di(4-methoxyphenyl)ethane 2,2-bis(p-anisyl)-1,1,1-trichloroethane 2,2-bis(p-methoxyphenyl)-1,1,1-trichloroethane 2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane dimethoxy-DDT methoxy-DDT p,p'-methoxychlor CHEBI:6842 methoxychlor Beilstein:2057367 ChemIDplus CAS:72-43-5 ChemIDplus CAS:72-43-5 KEGG COMPOUND CAS:72-43-5 NIST Chemistry WebBook Gmelin:513417 Gmelin 1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene) IUPAC Methoxychlor KEGG_COMPOUND 1,1,1-trichloro-2,2-bis(p-anisyl)ethane NIST_Chemistry_WebBook 1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane NIST_Chemistry_WebBook 1,1,1-trichloro-2,2-di(4-methoxyphenyl)ethane NIST_Chemistry_WebBook 2,2-bis(p-anisyl)-1,1,1-trichloroethane ChemIDplus 2,2-bis(p-methoxyphenyl)-1,1,1-trichloroethane ChemIDplus 2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane NIST_Chemistry_WebBook dimethoxy-DDT ChemIDplus methoxy-DDT ChemIDplus p,p'-methoxychlor NIST_Chemistry_WebBook An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl. 0 C3H4Cl2F2O InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3 RFKMCNOHBTXSMU-UHFFFAOYSA-N 164.96600 163.96073 COC(F)(F)C(Cl)Cl CAS:76-38-0 DrugBank:DB01028 Drug_Central:1754 HMDB:HMDB0015162 KEGG:C07517 KEGG:D00544 PMID:20466829 PMID:20809687 PMID:21216328 PMID:21294628 PMID:21495948 PMID:21884146 PMID:22510863 PMID:22925206 PMID:23279561 PMID:23615302 PMID:23810328 PMID:24370557 PMID:24628924 PMID:24644183 PMID:24743584 PMID:24743586 PMID:24888759 Wikipedia:Methoxyflurane 2,2-dichloro-1,1-difluoro-1-methoxyethane 2,2-dichloro-1,1-difluoroethyl methyl ether chebi_ontology Methoflurane Methoxyfluoran Methoxyfluran Methyl 1,1-difluoro-2,2-dichloroethyl ether Penthrane methoxyflurane methoxyfluranum metoxiflurano CHEBI:6843 methoxyflurane CAS:76-38-0 ChemIDplus CAS:76-38-0 KEGG COMPOUND CAS:76-38-0 NIST Chemistry WebBook Drug_Central:1754 DrugCentral PMID:20466829 Europe PMC PMID:20809687 Europe PMC PMID:21216328 Europe PMC PMID:21294628 Europe PMC PMID:21495948 Europe PMC PMID:21884146 Europe PMC PMID:22510863 Europe PMC PMID:22925206 Europe PMC PMID:23279561 Europe PMC PMID:23615302 Europe PMC PMID:23810328 Europe PMC PMID:24370557 Europe PMC PMID:24628924 Europe PMC PMID:24644183 Europe PMC PMID:24743584 Europe PMC PMID:24743586 Europe PMC PMID:24888759 Europe PMC 2,2-dichloro-1,1-difluoro-1-methoxyethane IUPAC 2,2-dichloro-1,1-difluoroethyl methyl ether IUPAC Methoflurane HMDB Methoxyfluoran HMDB Methoxyfluran HMDB Methyl 1,1-difluoro-2,2-dichloroethyl ether NIST_Chemistry_WebBook Penthrane KEGG_DRUG methoxyflurane KEGG_DRUG methoxyflurane WHO_MedNet methoxyfluranum DrugBank metoxiflurano DrugBank Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. Wikipedia:Azole chebi_ontology azoles CHEBI:68452 azole azoles ChEBI A deoxyribonucleoside containing a pyrimidine base. MetaCyc:Pyrimidine-Deoxyribonucleosides chebi_ontology pyrimidine deoxyribonucleosides CHEBI:68472 pyrimidine deoxyribonucleoside pyrimidine deoxyribonucleosides ChEBI A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer. Wikipedia:MTOR_inhibitors chebi_ontology mTOR inhibitors mammalian target of rapamycin inhibitor mammalian target of rapamycin inhibitors CHEBI:68481 mTOR inhibitor mTOR inhibitors ChEBI mammalian target of rapamycin inhibitor ChEBI mammalian target of rapamycin inhibitors ChEBI A family of sesquiterpene lactones with a common structure consisting of two lactone moieties (one a butenolide, the other a tricyclic gamma-lactone) connected by an enol-ether bridge. Originally used to describe phytohormones with diverse signaling activities, biosynthesised from carotenoids, the term also includes synthetic analogues. PMID:12590450 PMID:15665473 PMID:15944706 PMID:19222028 PMID:20687831 PMID:21947621 PMID:22027812 PMID:22173099 PMID:22323776 PMID:22357928 PMID:22398443 PMID:22422982 PMID:22542018 PMID:22580687 PMID:22689826 PMID:22738134 PMID:22827937 PMID:22885937 PMID:22924438 PMID:22959345 Patent:US2008318773 Wikipedia:Strigolactone chebi_ontology strigolactones CHEBI:68487 strigolactone PMID:12590450 Europe PMC PMID:15665473 Europe PMC PMID:15944706 Europe PMC PMID:19222028 Europe PMC PMID:20687831 SUBMITTER PMID:21947621 Europe PMC PMID:22027812 Europe PMC PMID:22173099 Europe PMC PMID:22323776 Europe PMC PMID:22357928 Europe PMC PMID:22398443 Europe PMC PMID:22422982 Europe PMC PMID:22542018 Europe PMC PMID:22580687 Europe PMC PMID:22689826 Europe PMC PMID:22738134 Europe PMC PMID:22827937 Europe PMC PMID:22885937 Europe PMC PMID:22924438 Europe PMC PMID:22959345 Europe PMC strigolactones ChEBI A glycerophosphocholine that is sn-glycero-3-phosphocholine in which positions 1 and 2 are substituted by unspecified acyl and alkyl groups, and in which the positions of the acyl and alkyl groups are also unspecified. 0 C8H18NO6PR2 255.206 255.08717 [H][C@@](CO[*])(COP([O-])(=O)OCC[N+](C)(C)C)O[*] chebi_ontology acyl,alkyl-sn-glycero-3-phosphocholine acyl,alkyl-sn-glycero-3-phosphocholines alkyl,acyl-sn-glycero-3-phosphocholines CHEBI:68489 alkyl,acyl-sn-glycero-3-phosphocholine acyl,alkyl-sn-glycero-3-phosphocholine SUBMITTER acyl,alkyl-sn-glycero-3-phosphocholines ChEBI alkyl,acyl-sn-glycero-3-phosphocholines ChEBI Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms. chebi_ontology Type I cell-death inhibitor Type I cell-death inhibitors Type I programmed cell-death inhibitor Type I programmed cell-death inhibitors apoptosis inhibitors CHEBI:68494 apoptosis inhibitor Type I cell-death inhibitor ChEBI Type I cell-death inhibitors ChEBI Type I programmed cell-death inhibitor ChEBI Type I programmed cell-death inhibitors ChEBI apoptosis inhibitors ChEBI Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. chebi_ontology Type I cell-death inducer Type I cell-death inducers Type I programmed cell-death inducer Type I programmed cell-death inducers apoptosis inducers CHEBI:68495 apoptosis inducer Type I cell-death inducer ChEBI Type I cell-death inducers ChEBI Type I programmed cell-death inducer ChEBI Type I programmed cell-death inducers ChEBI apoptosis inducers ChEBI A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. 0 C8H12O4 InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- IEPRKVQEAMIZSS-WAYWQWQTSA-N 172.17850 172.07356 CCOC(=O)\C=C/C(=O)OCC CAS:141-05-9 PMID:1471155 PMID:1609410 PMID:3341033 Reaxys:907616 diethyl (2Z)-but-2-enedioate chebi_ontology 2-butenedioic acid (2Z)-, dimethyl ester maleic acid, diethyl ester CHEBI:68508 diethyl maleate CAS:141-05-9 ChemIDplus CAS:141-05-9 NIST Chemistry WebBook PMID:1471155 Europe PMC PMID:1609410 Europe PMC PMID:3341033 Europe PMC Reaxys:907616 Reaxys diethyl (2Z)-but-2-enedioate IUPAC 2-butenedioic acid (2Z)-, dimethyl ester ChemIDplus maleic acid, diethyl ester NIST_Chemistry_WebBook A compound which causes a reduction in the levels of glutathione in cells. chebi_ontology glutathione depleting agents glutathione depletion agent glutathione depletion agents glutathione depletor glutathione depletors CHEBI:68509 glutathione depleting agent glutathione depleting agents ChEBI glutathione depletion agent ChEBI glutathione depletion agents ChEBI glutathione depletor ChEBI glutathione depletors ChEBI An antagonist at the P2Y12 receptor Wikipedia:P2Y12 chebi_ontology ADP receptor subtype P2Y12 antagonist ADP receptor subtype P2Y12 antagonists P2Y12 receptor antagonists purinergic receptor subtype P2Y12 antagonist purinergic receptor subtype P2Y12 antagonists CHEBI:68563 P2Y12 receptor antagonist ADP receptor subtype P2Y12 antagonist ChEBI ADP receptor subtype P2Y12 antagonists ChEBI P2Y12 receptor antagonists ChEBI purinergic receptor subtype P2Y12 antagonist ChEBI purinergic receptor subtype P2Y12 antagonists ChEBI An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that specifically inhibits dipeptidyl peptidase-4 (EC 3.4.14.5). CHEBI:76927 Wikipedia:Dipeptidyl_peptidase-4_inhibitor chebi_ontology DPP IV/CD26 inhibitor DPP IV/CD26 inhibitors DPP-4 inhibitor DPP-4 inhibitors EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitors EC 3.4.14.5 inhibitor EC 3.4.14.5 inhibitors Gly-Pro naphthylamidase inhibitor Gly-Pro naphthylamidase inhibitors T cell triggering molecule Tp103 inhibitor T cell triggering molecule Tp103 inhibitors X-PDAP inhibitor X-PDAP inhibitors X-prolyl dipeptidyl aminopeptidase inhibitor X-prolyl dipeptidyl aminopeptidase inhibitors Xaa-Pro-dipeptidyl-aminopeptidase inhibitor Xaa-Pro-dipeptidyl-aminopeptidase inhibitors amino acyl-prolyl dipeptidyl aminopeptidase inhibitor amino acyl-prolyl dipeptidyl aminopeptidase inhibitors dipeptidyl aminopeptidase IV inhibitor dipeptidyl aminopeptidase IV inhibitors dipeptidyl peptidase IV inhibitor dipeptidyl peptidase IV inhibitors dipeptidyl peptidase-4 inhibitors dipeptidyl-aminopeptidase IV inhibitor dipeptidyl-aminopeptidase IV inhibitors dipeptidyl-peptidase IV (EC 3.4.14.5) inhibitor dipeptidyl-peptidase IV (EC 3.4.14.5) inhibitors dipeptidyl-peptidase IV inhibitor dipeptidyl-peptidase IV inhibitors dipeptidyl-peptide hydrolase inhibitor dipeptidyl-peptide hydrolase inhibitors glycoprotein GP110 inhibitor glycoprotein GP110 inhibitors glycylproline aminopeptidase inhibitor glycylproline aminopeptidase inhibitors glycylprolyl aminopeptidase inhibitor glycylprolyl aminopeptidase inhibitors glycylprolyl dipeptidylaminopeptidase inhibitor glycylprolyl dipeptidylaminopeptidase inhibitors leukocyte antigen CD26 inhibitor leukocyte antigen CD26 inhibitors lymphocyte antigen CD26 inhibitor lymphocyte antigen CD26 inhibitors pep X inhibitor pep X inhibitors postproline dipeptidyl aminopeptidase IV inhibitor postproline dipeptidyl aminopeptidase IV inhibitors CHEBI:68612 EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor DPP IV/CD26 inhibitor ChEBI DPP IV/CD26 inhibitors ChEBI DPP-4 inhibitor ChEBI DPP-4 inhibitors ChEBI EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitors ChEBI EC 3.4.14.5 inhibitor ChEBI EC 3.4.14.5 inhibitors ChEBI Gly-Pro naphthylamidase inhibitor ChEBI Gly-Pro naphthylamidase inhibitors ChEBI T cell triggering molecule Tp103 inhibitor ChEBI T cell triggering molecule Tp103 inhibitors ChEBI X-PDAP inhibitor ChEBI X-PDAP inhibitors ChEBI X-prolyl dipeptidyl aminopeptidase inhibitor ChEBI X-prolyl dipeptidyl aminopeptidase inhibitors ChEBI Xaa-Pro-dipeptidyl-aminopeptidase inhibitor ChEBI Xaa-Pro-dipeptidyl-aminopeptidase inhibitors ChEBI amino acyl-prolyl dipeptidyl aminopeptidase inhibitor ChEBI amino acyl-prolyl dipeptidyl aminopeptidase inhibitors ChEBI dipeptidyl aminopeptidase IV inhibitor ChEBI dipeptidyl aminopeptidase IV inhibitors ChEBI dipeptidyl peptidase IV inhibitor ChEBI dipeptidyl peptidase IV inhibitors ChEBI dipeptidyl peptidase-4 inhibitors ChEBI dipeptidyl-aminopeptidase IV inhibitor ChEBI dipeptidyl-aminopeptidase IV inhibitors ChEBI dipeptidyl-peptidase IV (EC 3.4.14.5) inhibitor ChEBI dipeptidyl-peptidase IV (EC 3.4.14.5) inhibitors ChEBI dipeptidyl-peptidase IV inhibitor ChEBI dipeptidyl-peptidase IV inhibitors ChEBI dipeptidyl-peptide hydrolase inhibitor ChEBI dipeptidyl-peptide hydrolase inhibitors ChEBI glycoprotein GP110 inhibitor ChEBI glycoprotein GP110 inhibitors ChEBI glycylproline aminopeptidase inhibitor ChEBI glycylproline aminopeptidase inhibitors ChEBI glycylprolyl aminopeptidase inhibitor ChEBI glycylprolyl aminopeptidase inhibitors ChEBI glycylprolyl dipeptidylaminopeptidase inhibitor ChEBI glycylprolyl dipeptidylaminopeptidase inhibitors ChEBI leukocyte antigen CD26 inhibitor ChEBI leukocyte antigen CD26 inhibitors ChEBI lymphocyte antigen CD26 inhibitor ChEBI lymphocyte antigen CD26 inhibitors ChEBI pep X inhibitor ChEBI pep X inhibitors ChEBI postproline dipeptidyl aminopeptidase IV inhibitor ChEBI postproline dipeptidyl aminopeptidase IV inhibitors ChEBI An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. 0 C16H18N3S.Cl InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1 CXKWCBBOMKCUKX-UHFFFAOYSA-M 319.85200 319.09100 [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Beilstein:3599847 CAS:61-73-4 KEGG:C00220 PMID:11145393 PMID:11246319 PMID:11287762 PMID:11376884 PMID:11427637 PMID:12068762 PMID:12830064 PMID:12845393 PMID:15120287 PMID:16054909 PMID:16380099 PMID:16464752 PMID:17499345 PMID:17597293 PMID:17645185 PMID:17692516 PMID:17721552 PMID:17826794 PMID:17941276 PMID:18873190 PMID:18980251 PMID:19189650 PMID:19193212 PMID:19212058 PMID:19277479 PMID:19562136 PMID:19596056 PMID:19746714 PMID:24788930 PMID:25150147 PMID:25285998 PMID:25356528 PMID:25440279 PMID:25441767 PMID:25499271 PMID:25613051 PMID:25679473 PMID:25687361 PMID:25707443 PMID:25791029 PMID:25913699 PMID:26165999 PMID:26192785 PMID:26213475 PMID:26221301 PMID:26310944 PMID:26463954 PMID:26572462 Reaxys:3599847 Wikipedia:Methylene_blue 3,7-bis(dimethylamino)phenothiazin-5-ium chloride Methylene blue chebi_ontology Basic Blue 9 C.I. 52015 Methylenblau Methylene Blue anhydrous Methylthioninium chloride Solvent blue 8 Swiss blue azul de metileno bleu de methylene chlorure de methylthioninium cloruro de metiltioninio methylthioninii chloridum methylthioninium chloride CHEBI:6872 methylene blue Beilstein:3599847 Beilstein CAS:61-73-4 ChemIDplus CAS:61-73-4 KEGG COMPOUND PMID:11145393 Europe PMC PMID:11246319 Europe PMC PMID:11287762 Europe PMC PMID:11376884 Europe PMC PMID:11427637 Europe PMC PMID:12068762 Europe PMC PMID:12830064 Europe PMC PMID:12845393 Europe PMC PMID:15120287 Europe PMC PMID:16054909 Europe PMC PMID:16380099 Europe PMC PMID:16464752 Europe PMC PMID:17499345 Europe PMC PMID:17597293 Europe PMC PMID:17645185 Europe PMC PMID:17692516 Europe PMC PMID:17721552 Europe PMC PMID:17826794 Europe PMC PMID:17941276 Europe PMC PMID:18873190 Europe PMC PMID:18980251 Europe PMC PMID:19189650 Europe PMC PMID:19193212 Europe PMC PMID:19212058 Europe PMC PMID:19277479 Europe PMC PMID:19562136 Europe PMC PMID:19596056 Europe PMC PMID:19746714 Europe PMC PMID:24788930 Europe PMC PMID:25150147 Europe PMC PMID:25285998 Europe PMC PMID:25356528 Europe PMC PMID:25440279 Europe PMC PMID:25441767 Europe PMC PMID:25499271 Europe PMC PMID:25613051 Europe PMC PMID:25679473 Europe PMC PMID:25687361 Europe PMC PMID:25707443 Europe PMC PMID:25791029 Europe PMC PMID:25913699 Europe PMC PMID:26165999 Europe PMC PMID:26192785 Europe PMC PMID:26213475 Europe PMC PMID:26221301 Europe PMC PMID:26310944 Europe PMC PMID:26463954 Europe PMC PMID:26572462 Europe PMC Reaxys:3599847 Reaxys 3,7-bis(dimethylamino)phenothiazin-5-ium chloride IUPAC Methylene blue KEGG_COMPOUND Basic Blue 9 ChemIDplus C.I. 52015 ChEBI Methylenblau ChemIDplus Methylene Blue anhydrous ChemIDplus Methylthioninium chloride KEGG_COMPOUND Solvent blue 8 ChEBI Swiss blue ChEBI azul de metileno ChEBI bleu de methylene ChemIDplus chlorure de methylthioninium ChemIDplus cloruro de metiltioninio ChemIDplus methylthioninii chloridum ChemIDplus methylthioninium chloride ChemIDplus A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy. 0 C14H19NO2 233.307 233.14158 Beilstein:200061 CAS:113-45-1 CAS:20748-11-2 DrugBank:DB00422 HMDB:HMDB0014566 KEGG:C07196 KEGG:D04999 PMID:10786896 PMID:11160455 PMID:11862378 PMID:16953648 PMID:17201613 PMID:18670250 PMID:18978488 PMID:22098932 PMID:23104969 PMID:23813595 PMID:23975034 PMID:25433180 PMID:25449360 PMID:25553710 Patent:US2507631 Patent:US2957880 Reaxys:200061 Wikipedia:Methylphenidate rac-methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate chebi_ontology Daytrana dl-threo-methylphenidate methyl rac-threo-alpha-phenyl-alpha-2-piperidinylacetate methyl rac-threo-phenidylacetate methylphenidan methylphenidate methylphenidatum metilfenidato rac-threo-alpha-phenyl-2-piperidineacetic acid methyl ester rac-threo-methyl alpha-phenyl-alpha-(2-piperidyl)acetate threo-(+-)-methylphenidate CHEBI:6887 methylphenidate Beilstein:200061 Beilstein CAS:113-45-1 KEGG COMPOUND CAS:113-45-1 NIST Chemistry WebBook CAS:20748-11-2 ChemIDplus PMID:10786896 Europe PMC PMID:11160455 Europe PMC PMID:11862378 Europe PMC PMID:16953648 Europe PMC PMID:17201613 Europe PMC PMID:18670250 Europe PMC PMID:18978488 Europe PMC PMID:22098932 Europe PMC PMID:23104969 Europe PMC PMID:23813595 Europe PMC PMID:23975034 Europe PMC PMID:25433180 Europe PMC PMID:25449360 Europe PMC PMID:25553710 Europe PMC Reaxys:200061 Reaxys rac-methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate IUPAC Daytrana KEGG_DRUG dl-threo-methylphenidate ChemIDplus methyl rac-threo-alpha-phenyl-alpha-2-piperidinylacetate ChEBI methyl rac-threo-phenidylacetate ChEBI methylphenidan ChemIDplus methylphenidate KEGG_DRUG methylphenidate WHO_MedNet methylphenidatum ChemIDplus metilfenidato ChemIDplus rac-threo-alpha-phenyl-2-piperidineacetic acid methyl ester ChEBI rac-threo-methyl alpha-phenyl-alpha-(2-piperidyl)acetate ChEBI threo-(+-)-methylphenidate ChemIDplus The 6alpha-stereoisomer of 6-methylprednisolone. 0 C22H30O5 InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 VHRSUDSXCMQTMA-PJHHCJLFSA-N 374.47060 374.20932 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 Beilstein:2340300 CAS:83-43-2 DrugBank:DB00959 Drug_Central:1768 HMDB:HMDB0015094 KEGG:D00407 PMID:25232411 Patent:US2897218 Patent:US3053832 Reaxys:2340300 VSDB:1936 Wikipedia:Methylprednisolone 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione chebi_ontology (6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione 1-dehydro-6alpha-methylhydrocortisone 6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione Delta(1)-6alpha-methylhydrocortisone Medrate Medrol Medrone Methylprednisolon Solomet Urbason methylprednisolone methylprednisolonum metilprednisolona CHEBI:6888 6alpha-methylprednisolone Beilstein:2340300 Beilstein CAS:83-43-2 ChemIDplus CAS:83-43-2 NIST Chemistry WebBook Drug_Central:1768 DrugCentral PMID:25232411 Europe PMC Reaxys:2340300 Reaxys 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione IUPAC (6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione NIST_Chemistry_WebBook 1-dehydro-6alpha-methylhydrocortisone ChemIDplus 6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione ChemIDplus Delta(1)-6alpha-methylhydrocortisone NIST_Chemistry_WebBook Medrate ChemIDplus Medrol KEGG_DRUG Medrone DrugBank Methylprednisolon ChEBI Solomet DrugBank Urbason DrugBank methylprednisolone KEGG_DRUG methylprednisolonum ChemIDplus metilprednisolona ChemIDplus A racemate that consists of equimolar amounts of (R)- and (S)-metolachlor. CAS:51218-45-2 KEGG:C10953 PMID:24378469 PMID:24720218 PMID:25275369 Pesticides:metolachlor Reaxys:2743537 Wikipedia:Metolachlor rac-2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide chebi_ontology 2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine CHEBI:6902 metolachlor CAS:51218-45-2 ChemIDplus CAS:51218-45-2 KEGG COMPOUND CAS:51218-45-2 NIST Chemistry WebBook PMID:24378469 Europe PMC PMID:24720218 Europe PMC PMID:25275369 Europe PMC Pesticides:metolachlor Alan Wood's Pesticides Reaxys:2743537 Reaxys rac-2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide IUPAC 2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine ChemIDplus A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1. 0 C15H25NO3 InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N 267.36394 267.18344 COCCc1ccc(OCC(O)CNC(C)C)cc1 CAS:37350-58-6 CAS:51384-51-1 DrugBank:DB00264 Drug_Central:1786 HMDB:HMDB0001932 KEGG:C07202 KEGG:D02358 LINCS:LSM-1259 PMID:15140634 PMID:15797646 PMID:23314750 PMID:24025984 Reaxys:1117585 Wikipedia:Metoprolol 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol Metoprolol chebi_ontology (RS)-Metoprolol 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol CHEBI:6904 metoprolol CAS:37350-58-6 ChemIDplus CAS:37350-58-6 KEGG COMPOUND CAS:51384-51-1 ChemIDplus CAS:51384-51-1 KEGG COMPOUND Drug_Central:1786 DrugCentral PMID:15140634 Europe PMC PMID:15797646 Europe PMC PMID:23314750 Europe PMC PMID:24025984 Europe PMC Reaxys:1117585 Reaxys 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol IUPAC Metoprolol KEGG_COMPOUND Metoprolol KEGG_DRUG (RS)-Metoprolol ChemIDplus 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol ChEBI A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group. 0 C4H8Cl3O4P InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3 NFACJZMKEDPNKN-UHFFFAOYSA-N 257.43700 255.92258 COP(=O)(OC)C(O)C(Cl)(Cl)Cl Beilstein:1709434 CAS:52-68-6 Drug_Central:1787 KEGG:C07971 KEGG:D00805 LINCS:LSM-4995 PMID:19775726 PMID:24122545 PPDB:657 Reaxys:1709434 VSDB:657 Wikipedia:Metrifonate Trichlorfon dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate chebi_ontology (+-)-Trichlorfon 1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester Chlorophos Methyl chlorophos Metrifonate metrifonate metrifonato metrifonatum CHEBI:6908 trichlorfon Beilstein:1709434 Beilstein CAS:52-68-6 ChemIDplus CAS:52-68-6 KEGG COMPOUND CAS:52-68-6 NIST Chemistry WebBook Drug_Central:1787 DrugCentral PMID:19775726 Europe PMC PMID:24122545 Europe PMC Reaxys:1709434 Reaxys Trichlorfon KEGG_COMPOUND dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate IUPAC (+-)-Trichlorfon ChemIDplus 1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester ChemIDplus Chlorophos ChemIDplus Methyl chlorophos ChemIDplus Metrifonate KEGG_COMPOUND metrifonate WHO_MedNet metrifonato WHO_MedNet metrifonatum WHO_MedNet A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. 0 C6H9N3O3 InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N 171.15400 171.06439 Cc1ncc(n1CCO)[N+]([O-])=O CHEBI:39845 CHEBI:63636 Beilstein:611683 CAS:443-48-1 DrugBank:DB00916 Drug_Central:1790 HMDB:HMDB0015052 KEGG:D00409 LINCS:LSM-5628 PDBeChem:2MN PMID:11906111 PMID:14702395 PMID:15739364 PMID:16304169 PMID:16901452 PMID:18397330 PMID:19485831 PMID:22226009 PMID:22252819 Patent:US2944061 Reaxys:611683 VSDB:1826 Wikipedia:Metronidazole 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol chebi_ontology 1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole 1-(beta-ethylol)-2-methyl-5-nitro-3-azapyrrole 1-(beta-hydroxyethyl)-2-methyl-5-nitroimidazole 1-(beta-oxyethyl)-2-methyl-5-nitroimidazole 2-methyl-1-(2-hydroxyethyl)-5-nitroimidazole 2-methyl-3-(2-hydroxyethyl)-4-nitroimidazole 2-methyl-5-nitroimidazole-1-ethanol metronidazol metronidazole metronidazolum CHEBI:6909 metronidazole Beilstein:611683 Beilstein CAS:443-48-1 ChemIDplus CAS:443-48-1 NIST Chemistry WebBook Drug_Central:1790 DrugCentral PMID:11906111 Europe PMC PMID:14702395 Europe PMC PMID:15739364 Europe PMC PMID:16304169 Europe PMC PMID:16901452 Europe PMC PMID:18397330 Europe PMC PMID:19485831 Europe PMC PMID:22226009 Europe PMC PMID:22252819 Europe PMC Reaxys:611683 Reaxys 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol IUPAC 1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole ChemIDplus 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole ChemIDplus 1-(beta-ethylol)-2-methyl-5-nitro-3-azapyrrole NIST_Chemistry_WebBook 1-(beta-hydroxyethyl)-2-methyl-5-nitroimidazole ChemIDplus 1-(beta-oxyethyl)-2-methyl-5-nitroimidazole ChemIDplus 2-methyl-1-(2-hydroxyethyl)-5-nitroimidazole ChemIDplus 2-methyl-3-(2-hydroxyethyl)-4-nitroimidazole ChemIDplus 2-methyl-5-nitroimidazole-1-ethanol ChemIDplus metronidazol WHO_MedNet metronidazole KEGG_DRUG metronidazole WHO_MedNet metronidazolum WHO_MedNet A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes. 0 C22H31NO5S InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1 DDVBPZROPPMBLW-IZGXTMSKSA-N 421.55000 421.19229 [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1 CHEBI:43626 CAS:76343-93-6 PDBeChem:LAR PMID:10859320 PMID:12087066 PMID:17897856 PMID:19528469 PMID:20677927 PMID:22492972 PMID:22498812 PMID:3200109 PMID:3556584 PMID:9250716 Reaxys:4239363 (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one LATRUNCULIN A chebi_ontology (+)-latrunculin A (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one LAT-A LatA NSC 613011 CHEBI:69136 latrunculin A CAS:76343-93-6 ChemIDplus PMID:10859320 Europe PMC PMID:12087066 Europe PMC PMID:17897856 Europe PMC PMID:19528469 Europe PMC PMID:20677927 Europe PMC PMID:22492972 Europe PMC PMID:22498812 Europe PMC PMID:3200109 Europe PMC PMID:3556584 Europe PMC PMID:9250716 Europe PMC Reaxys:4239363 Reaxys (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one IUPAC LATRUNCULIN A PDBeChem (+)-latrunculin A ChEBI (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one PDBeChem LAT-A ChemIDplus LatA ChEBI NSC 613011 ChemIDplus A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins. 0 C49H74N10O12 InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1 ZYZCGGRZINLQBL-GWRQVWKTSA-N 995.174 994.54877 C([C@H](OC)[C@@H](C)/C=C(\C)/C=C/[C@@]1(NC([C@H](CCCNC(=N)N)NC([C@H]([C@H](C(O)=O)NC([C@H](CC(C)C)NC([C@@H](C)NC(C(N(C(CC[C@@H](NC([C@H]1C)=O)C(O)=O)=O)C)=C)=O)=O)=O)C)=O)=O)[H])C=2C=CC=CC2 Beilstein:4779759 CAS:101043-37-2 KEGG:C05371 PMID:10903983 PMID:17125460 PMID:18246549 PMID:21489775 PMID:22071605 PMID:22301162 PMID:22837451 PMID:22956115 PMID:23131420 PMID:23506857 PMID:23586662 PMID:23999063 PMID:24268348 PMID:24280256 PMID:24318164 PMID:24462717 PMID:24631598 PMID:28648727 Reaxys:4779759 Wikipedia:Microcystin-LR Microcystin-LR cyclo[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl] chebi_ontology 1,7-anhydro[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanine] Microcystis aeruginosa toxin cyanoginosin LR cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl] microcystin LR toxin-LR CHEBI:6925 microcystin-LR Beilstein:4779759 ChemIDplus CAS:101043-37-2 ChemIDplus CAS:101043-37-2 KEGG COMPOUND PMID:10903983 Europe PMC PMID:17125460 Europe PMC PMID:18246549 Europe PMC PMID:21489775 Europe PMC PMID:22071605 Europe PMC PMID:22301162 Europe PMC PMID:22837451 Europe PMC PMID:22956115 Europe PMC PMID:23131420 Europe PMC PMID:23506857 Europe PMC PMID:23586662 Europe PMC PMID:23999063 Europe PMC PMID:24268348 Europe PMC PMID:24280256 Europe PMC PMID:24318164 Europe PMC PMID:24462717 Europe PMC PMID:24631598 Europe PMC PMID:28648727 Europe PMC Reaxys:4779759 Reaxys Microcystin-LR KEGG_COMPOUND cyclo[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl] IUPAC 1,7-anhydro[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanine] ChEBI Microcystis aeruginosa toxin ChemIDplus cyanoginosin LR ChemIDplus cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl] ChEBI microcystin LR ChEBI toxin-LR ChemIDplus 0 C7H8O2 InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 NWVVVBRKAWDGAB-UHFFFAOYSA-N 124.13720 124.05243 COc1ccc(O)cc1 CAS:150-76-5 ChemIDplus:0000150765 Drug_Central:4221 HMDB:HMDB0029696 PMID:21848266 chebi_ontology 1-Hydroxy-4-methoxybenzene 4-Hydroxyanisole 4-Methoxyphenol Mequinol hydroquinone methyl ether p-Guaiacol p-Hydroxyanisol p-Hydroxymethoxybenzene CHEBI:69441 p-methoxyphenol CAS:150-76-5 DrugCentral Drug_Central:4221 DrugCentral PMID:21848266 Europe PMC 1-Hydroxy-4-methoxybenzene ChEBI 4-Hydroxyanisole ChEBI 4-Methoxyphenol ChEBI Mequinol ChEBI hydroquinone methyl ether DrugCentral p-Guaiacol ChEBI p-Hydroxyanisol DrugCentral p-Hydroxymethoxybenzene DrugCentral A member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies. 0 C9H17NOS InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 DEDOPGXGGQYYMW-UHFFFAOYSA-N 187.300 187.10309 C1CN(C(SCC)=O)CCCC1 AGR:IND91023048 CAS:2212-67-1 KEGG:C11086 PMID:11452140 PMID:16380149 PMID:16417035 PMID:19545510 PMID:20862524 PMID:20954713 PMID:21216347 PMID:22456730 PMID:24193246 PMID:24928378 PMID:24946031 PMID:25636851 PMID:25905461 PMID:27421102 PPDB:473 Pesticides:molinate S-ethyl azepane-1-carbothioate molinate chebi_ontology Ordram S-ethyl 1-hexamethyleneiminothiocarbamate S-ethyl N,N-hexamethylenethiocarbamate S-ethyl N,N-hexamethylenothiocarbamate S-ethyl hexahydro-1H-azepine-1-carbothioate S-ethyl hexahydroazepine-1-carbothioate S-ethyl perhydroazepine-1-carbothioate S-ethyl perhydroazepine-1-thiocarboxylate S-ethyl-N-hexamethylenethiocarbamate ethyl 1-hexamethyleneiminecarbothiolate CHEBI:6964 molinate AGR:IND91023048 Europe PMC CAS:2212-67-1 Alan Wood's Pesticides CAS:2212-67-1 ChemIDplus CAS:2212-67-1 KEGG COMPOUND CAS:2212-67-1 NIST Chemistry WebBook PMID:11452140 Europe PMC PMID:16380149 Europe PMC PMID:16417035 Europe PMC PMID:19545510 Europe PMC PMID:20862524 Europe PMC PMID:20954713 Europe PMC PMID:21216347 Europe PMC PMID:22456730 Europe PMC PMID:24193246 Europe PMC PMID:24928378 Europe PMC PMID:24946031 Europe PMC PMID:25636851 Europe PMC PMID:25905461 Europe PMC PMID:27421102 Europe PMC Pesticides:molinate Alan Wood's Pesticides S-ethyl azepane-1-carbothioate IUPAC molinate KEGG_COMPOUND Ordram KEGG_COMPOUND S-ethyl 1-hexamethyleneiminothiocarbamate NIST_Chemistry_WebBook S-ethyl N,N-hexamethylenethiocarbamate NIST_Chemistry_WebBook S-ethyl N,N-hexamethylenothiocarbamate NIST_Chemistry_WebBook S-ethyl hexahydro-1H-azepine-1-carbothioate Alan_Wood's_Pesticides S-ethyl hexahydroazepine-1-carbothioate NIST_Chemistry_WebBook S-ethyl perhydroazepine-1-carbothioate Alan_Wood's_Pesticides S-ethyl perhydroazepine-1-thiocarboxylate Alan_Wood's_Pesticides S-ethyl-N-hexamethylenethiocarbamate NIST_Chemistry_WebBook ethyl 1-hexamethyleneiminecarbothiolate NIST_Chemistry_WebBook A hormone agonist that binds to and activates progesterone receptors. chebi_ontology PR agonist PR agonists progesterone receptor agonists CHEBI:70709 progesterone receptor agonist PR agonist ChEBI PR agonists ChEBI progesterone receptor agonists ChEBI A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide. 0 C12H17NO InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N 191.26950 191.13101 CCN(CC)C(=O)c1cccc(C)c1 CHEBI:21448 AGR:IND603426025 CAS:134-62-3 Drug_Central:4418 KEGG:C10935 KEGG:D02379 LINCS:LSM-4114 PDBeChem:DE3 PMID:20797533 PMID:20963476 PMID:21937991 PMID:22289669 PMID:23167529 PMID:23261834 PMID:23407786 PMID:23437043 PMID:2499696 PMID:25748344 PMID:26467804 PMID:27138630 PMID:27345502 PMID:27510858 PMID:27639850 PMID:27657095 PMID:28676765 PMID:29077936 PMID:30395919 PMID:3352115 PMID:7564300 PMID:8187533 PPDB:1190 Pesticides:diethyltoluamide Reaxys:2046711 Wikipedia:DEET N,N-diethyl-3-methylbenzamide chebi_ontology 3-methyl-N,N-diethylbenzamide Autan DEET Detamide Flypel Metadelphene Muscol Off Off! Repel deet diethyl toluamide diethyltoluamide diethyltoluamidum dietiltoluamida m-Delphene CHEBI:7071 N,N-diethyl-m-toluamide AGR:IND603426025 Europe PMC CAS:134-62-3 ChemIDplus CAS:134-62-3 KEGG COMPOUND CAS:134-62-3 NIST Chemistry WebBook Drug_Central:4418 DrugCentral PMID:20797533 Europe PMC PMID:20963476 Europe PMC PMID:21937991 Europe PMC PMID:22289669 Europe PMC PMID:23167529 Europe PMC PMID:23261834 Europe PMC PMID:23407786 Europe PMC PMID:23437043 Europe PMC PMID:2499696 Europe PMC PMID:25748344 Europe PMC PMID:26467804 Europe PMC PMID:27138630 Europe PMC PMID:27345502 Europe PMC PMID:27510858 Europe PMC PMID:27639850 Europe PMC PMID:27657095 Europe PMC PMID:28676765 Europe PMC PMID:29077936 Europe PMC PMID:30395919 Europe PMC PMID:3352115 Europe PMC PMID:7564300 Europe PMC PMID:8187533 Europe PMC Pesticides:diethyltoluamide Alan Wood's Pesticides Reaxys:2046711 Reaxys N,N-diethyl-3-methylbenzamide IUPAC 3-methyl-N,N-diethylbenzamide ChemIDplus Autan ChemIDplus DEET KEGG_COMPOUND Detamide ChemIDplus Flypel ChemIDplus Metadelphene ChemIDplus Muscol ChEBI Off ChemIDplus Off! ChEBI Repel ChemIDplus deet ChEBI diethyl toluamide ChemIDplus diethyltoluamide WHO_MedNet diethyltoluamidum WHO_MedNet dietiltoluamida WHO_MedNet m-Delphene NIST_Chemistry_WebBook An EC 6.4.1.* (C-C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2). PMID:19552511 PMID:22560583 PMID:22677317 Patent:US2009270435 Wikipedia:Acetyl_CoA_carboxylase chebi_ontology ACC inhibitor ACC inhibitors ACCase inhibitor ACCase inhibitors EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitors EC 6.4.1.2 inhibitor EC 6.4.1.2 inhibitors acetyl coenzyme A carboxylase inhibitor acetyl coenzyme A carboxylase inhibitors acetyl-CoA carboxylase (EC 6.4.1.2) inhibitor acetyl-CoA carboxylase (EC 6.4.1.2) inhibitors acetyl-CoA carboxylase inhibitor acetyl-CoA carboxylase inhibitors acetyl-CoA:carbon-dioxide ligase (ADP-forming) inhibitor acetyl-CoA:carbon-dioxide ligase (ADP-forming) inhibitors CHEBI:70722 EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor PMID:19552511 Europe PMC PMID:22560583 Europe PMC PMID:22677317 Europe PMC ACC inhibitor ChEBI ACC inhibitors ChEBI ACCase inhibitor ChEBI ACCase inhibitors ChEBI EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitors ChEBI EC 6.4.1.2 inhibitor ChEBI EC 6.4.1.2 inhibitors ChEBI acetyl coenzyme A carboxylase inhibitor ChEBI acetyl coenzyme A carboxylase inhibitors ChEBI acetyl-CoA carboxylase (EC 6.4.1.2) inhibitor ChEBI acetyl-CoA carboxylase (EC 6.4.1.2) inhibitors ChEBI acetyl-CoA carboxylase inhibitor ChEBI acetyl-CoA carboxylase inhibitors ChEBI acetyl-CoA:carbon-dioxide ligase (ADP-forming) inhibitor ChEBI acetyl-CoA:carbon-dioxide ligase (ADP-forming) inhibitors ChEBI A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively. 0 C21H27N7O InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) ZFLJHSQHILSNCM-UHFFFAOYSA-N 393.48540 393.22771 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2[nH]cnc12 CAS:656820-32-5 LINCS:LSM-5842 PMID:14719906 PMID:16033270 PMID:17258475 PMID:17490611 PMID:17566101 PMID:17973295 PMID:17982654 PMID:18483302 PMID:19947906 PMID:20103988 PMID:20624901 PMID:22051168 PMID:22283874 PMID:22477067 PMID:22592527 PMID:22615034 PMID:22821411 PMID:22926505 Reaxys:9591952 Wikipedia:Reversine N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine chebi_ontology 2-(4-morpholinoanilino)-6-cyclohexylaminopurine CHEBI:70723 reversine CAS:656820-32-5 ChemIDplus PMID:14719906 Europe PMC PMID:16033270 Europe PMC PMID:17258475 Europe PMC PMID:17490611 Europe PMC PMID:17566101 Europe PMC PMID:17973295 Europe PMC PMID:17982654 Europe PMC PMID:18483302 Europe PMC PMID:19947906 Europe PMC PMID:20103988 Europe PMC PMID:20624901 Europe PMC PMID:22051168 Europe PMC PMID:22283874 Europe PMC PMID:22477067 Europe PMC PMID:22592527 Europe PMC PMID:22615034 Europe PMC PMID:22821411 Europe PMC PMID:22926505 Europe PMC Reaxys:9591952 Reaxys N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine IUPAC 2-(4-morpholinoanilino)-6-cyclohexylaminopurine ChEBI Any compound which induces a partially or terminally differentiated cell to revert to an earlier developmental stage. chebi_ontology cell dedifferentiation agents CHEBI:70724 cell dedifferentiation agent cell dedifferentiation agents ChEBI An antagonist at the A3 receptor. Wikipedia:Adenosine_A3_receptor chebi_ontology adenosine A3 receptor antagonistS CHEBI:70725 adenosine A3 receptor antagonist adenosine A3 receptor antagonistS ChEBI An oxindole that is indolin-2-one which is substituted at position 5 by an (ethylsulfonyl)nitrilo group and at position 2 by a methylidene group, which is itself substituted by a phenyl group and a [4-(piperidin-1-ylmethyl)phenyl]amino group. An Aurora B kinase inhibitor, it is used to inhibit chromosome alignment and segregation. 0 C29H32N4O3S InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27- GLDSKRNGVVYJAB-DQSJHHFOSA-N 516.65400 516.21951 CCS(=O)(=O)Nc1ccc2NC(=O)\C(c2c1)=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 CAS:422513-13-1 PMID:12707311 PMID:15866179 PMID:19320832 Reaxys:14118003 Wikipedia:Hesperadin N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide chebi_ontology hesperadine CHEBI:70726 hesperadin CAS:422513-13-1 Wikipedia PMID:12707311 Europe PMC PMID:15866179 Europe PMC PMID:19320832 Europe PMC Reaxys:14118003 Reaxys N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide IUPAC hesperadine ChEBI An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA). Wikipedia:Topoisomerase chebi_ontology topoisomerase inhibitors CHEBI:70727 topoisomerase inhibitor topoisomerase inhibitors ChEBI Any substance that inhibits the polymerisation of the protein actin. chebi_ontology actin polymerisation inhibitors actin polymerization inhibitor actin polymerization inhibitors inhibitor of actin polymerization inhibitors of actin polymerization CHEBI:70728 actin polymerisation inhibitor actin polymerisation inhibitors ChEBI actin polymerization inhibitor ChEBI actin polymerization inhibitors ChEBI inhibitor of actin polymerization ChEBI inhibitors of actin polymerization ChEBI Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation). PMID:19369091 PMID:21147253 PMID:22350019 chebi_ontology Aurora kinase inhibitors CHEBI:70770 Aurora kinase inhibitor PMID:19369091 Europe PMC PMID:21147253 Europe PMC PMID:22350019 Europe PMC Aurora kinase inhibitors ChEBI A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist. 0 C19H21ClN2O2S InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25) DRCMAZOSEIMCHM-UHFFFAOYSA-N 376.90000 376.10123 Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1 CAS:138977-28-3 LINCS:LSM-2983 PMID:1422598 PMID:14757700 PMID:15032662 PMID:18230728 PMID:20719804 PMID:22922338 PMID:8027976 PMID:9126180 PMID:9197280 PMID:9257928 Reaxys:7047754 Wikipedia:Capsazepine N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide chebi_ontology 2-[2-(4-chlorophenyl)ethylamino-thiocarbonyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine N-(2-[4-chlorophenyl]ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide ST50826300 capsazepin CHEBI:70773 capsazepine CAS:138977-28-3 ChemIDplus PMID:1422598 Europe PMC PMID:14757700 Europe PMC PMID:15032662 Europe PMC PMID:18230728 Europe PMC PMID:20719804 Europe PMC PMID:22922338 Europe PMC PMID:8027976 Europe PMC PMID:9126180 Europe PMC PMID:9197280 Europe PMC PMID:9257928 Europe PMC Reaxys:7047754 Reaxys N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide IUPAC 2-[2-(4-chlorophenyl)ethylamino-thiocarbonyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine ChEBI N-(2-[4-chlorophenyl]ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide ChEBI N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide ChEBI N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide ChEBI ST50826300 ChEBI capsazepin ChEBI Any substance which blocks the painful sensation of heat caused by capsaicin acting on the TRPV1 ion channel. Wikipedia:Discovery_and_development_of_TRPV1_antagonists chebi_ontology TRPV1 antagonist TRPV1 antagonists TrpV1 antagonist TrpV1 antagonists capsaicin antagonist capsaicin antagonists capsaicin receptor antagonists transient receptor potential cation channel subfamily V member 1 antagonist transient receptor potential cation channel subfamily V member 1 antagonists vanilloid receptor 1 antagonist vanilloid receptor 1 antagonists CHEBI:70774 capsaicin receptor antagonist TRPV1 antagonist ChEBI TRPV1 antagonists ChEBI TrpV1 antagonist ChEBI TrpV1 antagonists ChEBI capsaicin antagonist ChEBI capsaicin antagonists ChEBI capsaicin receptor antagonists ChEBI transient receptor potential cation channel subfamily V member 1 antagonist ChEBI transient receptor potential cation channel subfamily V member 1 antagonists ChEBI vanilloid receptor 1 antagonist ChEBI vanilloid receptor 1 antagonists ChEBI A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. 0 C29H46N2O3S InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) PKNYXWMTHFMHKD-UHFFFAOYSA-N 502.75200 502.32291 CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O CAS:265129-71-3 KEGG:C15622 LINCS:LSM-4172 PMID:14654352 PMID:16839165 PMID:17434479 PMID:21443859 PMID:21742490 PMID:22465071 PMID:23008696 Reaxys:8955332 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid chebi_ontology 2-((4-(2-(1-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid 2-(4-(2-(1-(4-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid 2-(4-(2-(1-(cyclohexanebutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid 2-({4-{2-{{(cyclohexylamino)carbonyl}(4-cyclohexylbutyl)amino}ethyl}phenyl}thio)-2-methylpropanoic acid 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid GW-7647 GW7647 CHEBI:70778 GW 7647 CAS:265129-71-3 ChemIDplus CAS:265129-71-3 KEGG COMPOUND PMID:14654352 Europe PMC PMID:16839165 Europe PMC PMID:17434479 Europe PMC PMID:21443859 Europe PMC PMID:21742490 Europe PMC PMID:22465071 Europe PMC PMID:23008696 Europe PMC Reaxys:8955332 Reaxys 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid IUPAC 2-((4-(2-(1-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid ChEBI 2-(4-(2-(1-(4-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid ChEBI 2-(4-(2-(1-(cyclohexanebutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid ChEBI 2-({4-{2-{{(cyclohexylamino)carbonyl}(4-cyclohexylbutyl)amino}ethyl}phenyl}thio)-2-methylpropanoic acid ChEBI 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid ChEBI GW-7647 ChEBI GW7647 ChEBI Any compound which acts on the peroxisome proliferator-activated receptor. PMID:18566691 PMID:19746174 Wikipedia:Peroxisome_proliferator-activated_receptor chebi_ontology PPAR modulators peroxisome proliferator-activated receptor modulator peroxisome proliferator-activated receptor modulators CHEBI:70781 PPAR modulator PMID:18566691 Europe PMC PMID:19746174 Europe PMC PPAR modulators ChEBI peroxisome proliferator-activated receptor modulator ChEBI peroxisome proliferator-activated receptor modulators ChEBI A PPAR modulator which activates the peroxisome proliferator-activated receptor-alpha. Wikipedia:Peroxisome_proliferator-activated_receptor_alpha PPARalpha agonist chebi_ontology PPAR-alpha agonist PPAR-alpha agonists PPARalpha agonists peroxisome proliferator-activated receptor-alpha agonist peroxisome proliferator-activated receptor-alpha agonists CHEBI:70782 PPARalpha agonist PPARalpha agonist ChEBI PPAR-alpha agonist ChEBI PPAR-alpha agonists ChEBI PPARalpha agonists ChEBI peroxisome proliferator-activated receptor-alpha agonist ChEBI peroxisome proliferator-activated receptor-alpha agonists ChEBI An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of glyceraldehyde-3-phosphate dehydrogenase (EC 1.2.1.12). Wikipedia:Glyceraldehyde-3-phosphate_dehydrogenase chebi_ontology 3-phosphoglyceraldehyde dehydrogenase inhibitor 3-phosphoglyceraldehyde dehydrogenase inhibitors D-glyceraldehyde-3-phosphate:NAD(+) oxidoreductase (phosphorylating) inhibitor D-glyceraldehyde-3-phosphate:NAD(+) oxidoreductase (phosphorylating) inhibitors EC 1.2.1.12 (glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)) inhibitor EC 1.2.1.12 (glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)) inhibitors EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitors EC 1.2.1.12 inhibitor EC 1.2.1.12 inhibitors GAPDH inhibitor GAPDH inhibitors NAD-dependent glyceraldehyde phosphate dehydrogenase inhibitor NAD-dependent glyceraldehyde phosphate dehydrogenase inhibitors NADH-glyceraldehyde phosphate dehydrogenase inhibitor NADH-glyceraldehyde phosphate dehydrogenase inhibitors dehydrogenase, glyceraldehyde phosphate inhibitor dehydrogenase, glyceraldehyde phosphate inhibitors glyceraldehyde phosphate dehydrogenase (NAD) inhibitor glyceraldehyde phosphate dehydrogenase (NAD) inhibitors glyceraldehyde-3-P-dehydrogenase inhibitor glyceraldehyde-3-P-dehydrogenase inhibitors glyceraldehyde-3-phosphate dehydrogenase (NAD) inhibitor glyceraldehyde-3-phosphate dehydrogenase (NAD) inhibitors glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) (EC 1.2.1.12) inhibitor glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) (EC 1.2.1.12) inhibitors glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) inhibitor glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) inhibitors glyceraldehyde-3-phosphate dehydrogenase inhibitor glyceraldehyde-3-phosphate dehydrogenase inhibitors phosphoglyceraldehyde dehydrogenase inhibitor phosphoglyceraldehyde dehydrogenase inhibitors triosephosphate dehydrogenase inhibitor triosephosphate dehydrogenase inhibitors CHEBI:70817 EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor 3-phosphoglyceraldehyde dehydrogenase inhibitor ChEBI 3-phosphoglyceraldehyde dehydrogenase inhibitors ChEBI D-glyceraldehyde-3-phosphate:NAD(+) oxidoreductase (phosphorylating) inhibitor ChEBI D-glyceraldehyde-3-phosphate:NAD(+) oxidoreductase (phosphorylating) inhibitors ChEBI EC 1.2.1.12 (glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)) inhibitor ChEBI EC 1.2.1.12 (glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)) inhibitors ChEBI EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitors ChEBI EC 1.2.1.12 inhibitor ChEBI EC 1.2.1.12 inhibitors ChEBI GAPDH inhibitor ChEBI GAPDH inhibitors ChEBI NAD-dependent glyceraldehyde phosphate dehydrogenase inhibitor ChEBI NAD-dependent glyceraldehyde phosphate dehydrogenase inhibitors ChEBI NADH-glyceraldehyde phosphate dehydrogenase inhibitor ChEBI NADH-glyceraldehyde phosphate dehydrogenase inhibitors ChEBI dehydrogenase, glyceraldehyde phosphate inhibitor ChEBI dehydrogenase, glyceraldehyde phosphate inhibitors ChEBI glyceraldehyde phosphate dehydrogenase (NAD) inhibitor ChEBI glyceraldehyde phosphate dehydrogenase (NAD) inhibitors ChEBI glyceraldehyde-3-P-dehydrogenase inhibitor ChEBI glyceraldehyde-3-P-dehydrogenase inhibitors ChEBI glyceraldehyde-3-phosphate dehydrogenase (NAD) inhibitor ChEBI glyceraldehyde-3-phosphate dehydrogenase (NAD) inhibitors ChEBI glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) (EC 1.2.1.12) inhibitor ChEBI glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) (EC 1.2.1.12) inhibitors ChEBI glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) inhibitor ChEBI glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) inhibitors ChEBI glyceraldehyde-3-phosphate dehydrogenase inhibitor ChEBI glyceraldehyde-3-phosphate dehydrogenase inhibitors ChEBI phosphoglyceraldehyde dehydrogenase inhibitor ChEBI phosphoglyceraldehyde dehydrogenase inhibitors ChEBI triosephosphate dehydrogenase inhibitor ChEBI triosephosphate dehydrogenase inhibitors ChEBI An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. chebi_ontology antileishmanial agents antileishmanial drug antileishmanial drugs CHEBI:70868 antileishmanial agent antileishmanial agents ChEBI antileishmanial drug ChEBI antileishmanial drugs ChEBI An organic cation obtained by protonation of the amino groups of any alkane-alpha,omega-diamine; major species at pH 7.3. +2 (CH2)n.C2H10N2 chebi_ontology an alkane-alpha,omega-diamine CHEBI:70977 alkane-alpha,omega-diammonium(2+) an alkane-alpha,omega-diamine UniProt Any entity used to generate reactive oxygen species. chebi_ontology ROS generator ROS generators reactive oxygen species generators CHEBI:70982 reactive oxygen species generator ROS generator ChEBI ROS generators ChEBI reactive oxygen species generators ChEBI An agonist that binds to and activates G-protein-coupled receptors Wikipedia:G_protein-coupled_receptor chebi_ontology G-protein-coupled receptor agonists GPCR agonist GPCR agonists CHEBI:70998 G-protein-coupled receptor agonist G-protein-coupled receptor agonists ChEBI GPCR agonist ChEBI GPCR agonists ChEBI An EC 3.5.1.98 (histone deacetylase) inhibitor that interferes with the action of Sir2. Wikipedia:Sir2 chebi_ontology Sir2 inhibitors CHEBI:71181 Sir2 inhibitor Sir2 inhibitors ChEBI Any intra-glandular substance that acts as a precursor of a hormone, usually having minimal hormonal effect itself. Prohormones generally help in amplifying the effect of existing hormones. Wikipedia:Prohormone chebi_ontology prohormones CHEBI:71212 prohormone prohormones ChEBI Any ketone that is 1,3-diphenylpropanone and its derivatives obtained by substitution. chebi_ontology CHEBI:71230 dihydrochalcones An antagonist at any adenosine receptor. Wikipedia:Adenosine_receptor chebi_ontology adenosine receptor antagonists CHEBI:71232 adenosine receptor antagonist adenosine receptor antagonists ChEBI An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt. 0 Na4O7P2 InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4 FQENQNTWSFEDLI-UHFFFAOYSA-J 265.90240 265.87100 [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O CAS:7722-88-5 PMID:19038924 PMID:20501039 PMID:20686342 PMID:21854899 PMID:22099944 PMID:22125775 PMID:22809121 PMID:22916886 Reaxys:11329446 Wikipedia:Tetrasodium_pyrophosphate sodium diphosphate chebi_ontology Diphosphoric acid, tetrasodium salt Natrium pyrophosphat Pyrophosphoric acid tetrasodium salt Sodium pyrophosphate TSPP Tetrasodium pyrophosphate CHEBI:71240 sodium diphosphate CAS:7722-88-5 ChemIDplus PMID:19038924 Europe PMC PMID:20501039 Europe PMC PMID:20686342 Europe PMC PMID:21854899 Europe PMC PMID:22099944 Europe PMC PMID:22125775 Europe PMC PMID:22809121 Europe PMC PMID:22916886 Europe PMC Reaxys:11329446 Reaxys sodium diphosphate IUPAC Diphosphoric acid, tetrasodium salt ChemIDplus Natrium pyrophosphat ChemIDplus Pyrophosphoric acid tetrasodium salt ChemIDplus Sodium pyrophosphate ChemIDplus TSPP ChemIDplus Tetrasodium pyrophosphate ChemIDplus An enzyme inhibitor that inhibits the action of a transferase (EC 2.*) Wikipedia:Transferase chebi_ontology EC 2 inhibitor EC 2 inhibitors EC 2.* (transferase) inhibitors EC 2.* inhibitor EC 2.* inhibitors transferase inhibitor transferase inhibitors CHEBI:71300 EC 2.* (transferase) inhibitor EC 2 inhibitor ChEBI EC 2 inhibitors ChEBI EC 2.* (transferase) inhibitors ChEBI EC 2.* inhibitor ChEBI EC 2.* inhibitors ChEBI transferase inhibitor ChEBI transferase inhibitors ChEBI An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group. -1 C22H23N2O8 InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p-1/t9-,10-,15-,21+,22-/m0/s1 OFVLGDICTFRJMM-WESIUVDSSA-M 443.42660 443.14599 [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C (1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate chebi_ontology tetracycline anion CHEBI:71392 tetracycline(1-) (1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate IUPAC tetracycline anion ChEBI An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of fatty acid synthase (EC 2.3.1.85), a multi-enzyme protein involved in fatty acid synthesis. Wikipedia:Fatty-acid_synthase chebi_ontology (FAS) inhibitors EC 2.3.1.85 (fatty acid synthase) inhibitors EC 2.3.1.85 inhibitor EC 2.3.1.85 inhibitors acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitor acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitors fatty acid synthase (EC 2.3.1.85) inhibitor fatty acid synthase (EC 2.3.1.85) inhibitors fatty acid synthase inhibitor fatty acid synthase inhibitors CHEBI:71476 EC 2.3.1.85 (fatty acid synthase) inhibitor (FAS) inhibitors ChEBI EC 2.3.1.85 (fatty acid synthase) inhibitors ChEBI EC 2.3.1.85 inhibitor ChEBI EC 2.3.1.85 inhibitors ChEBI acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitor ChEBI acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitors ChEBI fatty acid synthase (EC 2.3.1.85) inhibitor ChEBI fatty acid synthase (EC 2.3.1.85) inhibitors ChEBI fatty acid synthase inhibitor ChEBI fatty acid synthase inhibitors ChEBI Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. Wikipedia:Rotenoids chebi_ontology rotenoids CHEBI:71543 rotenoid rotenoids ChEBI An amino-acid anion in which the amino group is situated gamma- to the carboxylate group. chebi_ontology gamma-amino acid anions CHEBI:71666 gamma-amino acid anion gamma-amino acid anions ChEBI An insecticide that acts as a repellent to insects. Wikipedia:Insect_repellent chebi_ontology insect repellents CHEBI:71692 insect repellent insect repellents ChEBI Any organooxygen compound that has the general formula RC(OR(1))(OR(2))(OR(3)), where R(1), R(2), R(3) =/= H. 0 CO3R4 60.00890 59.98474 [*]C(O[*])(O[*])O[*] Wikipedia:Orthoester chebi_ontology ortho esters ortho-ester ortho-esters orthoester orthoesters CHEBI:71989 ortho ester ortho esters ChEBI ortho-ester ChEBI ortho-esters ChEBI orthoester ChEBI orthoesters ChEBI A member of the class of flavans in which one or more ring hydrogens are replaced by hydroxy groups. CHEBI:24036 chebi_ontology flavanols flavanols hydroxyflavans CHEBI:72010 hydroxyflavan hydroxyflavan 0 C8H15NO6 InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N 221.208 221.08994 CC(=O)NC1C(O)OC(CO)C(O)C1O KEGG:C02711 N-Acetylhexosamine chebi_ontology CHEBI:7203 N-acetylhexosamine N-Acetylhexosamine KEGG_COMPOUND Any toxin secreted by bacteria, viruses, fungi or protozoa enabling them to achieve colonisation of a niche in the host, inhibit or evade the host's immune response, enter and exit cells, or obtain nutrition from the host. PMID:22851449 Wikipedia:Virulence_factor chebi_ontology virulence factors CHEBI:72316 virulence factor PMID:22851449 Europe PMC virulence factors ChEBI An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture. 0 C23H25ClN2 InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1 FDZZZRQASAIRJF-UHFFFAOYSA-M 364.91100 364.17063 [Cl-].CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C CAS:569-64-2 KEGG:C18367 PMID:22236952 PMID:22526306 PMID:22623907 PMID:23122763 PMID:23199816 PMID:23203820 PMID:23286983 PMID:23296502 PMID:23323052 PMID:25128680 PMID:25218224 PMID:25236201 PMID:25409587 PMID:25441361 PMID:25462308 PMID:25497025 PMID:25542168 PMID:25697373 PMID:25699703 PMID:25748983 PMID:25757145 PMID:25938698 PMID:25945894 PMID:26003716 PMID:26057094 PMID:26185924 PMID:26250058 PMID:26254991 Patent:WO2008063374 Reaxys:3580148 Wikipedia:Malachite_green 4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride chebi_ontology (4-(4-Dimethylaminobenzhydriylidene)cyclohexa-2,5-dienylidene)dimethylammonium chloride (4-(alpha-(4-Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene dimethylammonium chloride Basic Green 4 C.I. 42000 C.I. Basic Green 4 CI 42000 CI Basic Green 4 diamond green B malachite green chloride malachite green chloride salt victoria green B CHEBI:72449 malachite green CAS:569-64-2 ChemIDplus CAS:569-64-2 KEGG COMPOUND PMID:22236952 Europe PMC PMID:22526306 Europe PMC PMID:22623907 Europe PMC PMID:23122763 Europe PMC PMID:23199816 Europe PMC PMID:23203820 Europe PMC PMID:23286983 Europe PMC PMID:23296502 Europe PMC PMID:23323052 Europe PMC PMID:25128680 Europe PMC PMID:25218224 Europe PMC PMID:25236201 Europe PMC PMID:25409587 Europe PMC PMID:25441361 Europe PMC PMID:25462308 Europe PMC PMID:25497025 Europe PMC PMID:25542168 Europe PMC PMID:25697373 Europe PMC PMID:25699703 Europe PMC PMID:25748983 Europe PMC PMID:25757145 Europe PMC PMID:25938698 Europe PMC PMID:25945894 Europe PMC PMID:26003716 Europe PMC PMID:26057094 Europe PMC PMID:26185924 Europe PMC PMID:26250058 Europe PMC PMID:26254991 Europe PMC Reaxys:3580148 Reaxys 4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride IUPAC (4-(4-Dimethylaminobenzhydriylidene)cyclohexa-2,5-dienylidene)dimethylammonium chloride ChemIDplus (4-(alpha-(4-Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene dimethylammonium chloride ChemIDplus Basic Green 4 ChemIDplus C.I. 42000 ChemIDplus C.I. Basic Green 4 ChemIDplus CI 42000 ChemIDplus CI Basic Green 4 ChemIDplus diamond green B ChEBI malachite green chloride ChEBI malachite green chloride salt ChEBI victoria green B ChEBI A provitamin that can be converted into vitamin B1 by enzymes from animal tissues. chebi_ontology provitamin B1s CHEBI:72470 provitamin B1 provitamin B1s ChEBI Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them. Wikipedia:Flavonoids chebi_ontology flavonoid CHEBI:72544 flavonoids flavonoids flavonoid ChEBI An imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma. 0 C6H6N6O2 InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13) BPEGJWRSRHCHSN-UHFFFAOYSA-N 194.15080 194.05522 Cn1nnc2c(ncn2c1=O)C(N)=O CAS:85622-93-1 DrugBank:DB00853 Drug_Central:2589 HMDB:HMDB0014991 KEGG:D06067 LINCS:LSM-4590 PMID:22680781 PMID:22818211 PMID:23246370 PMID:23254891 PMID:23293540 PMID:23335050 PMID:23362460 PMID:23377829 PMID:23385995 PMID:23389760 Patent:DE3231255 Reaxys:5547136 Wikipedia:Temozolomide 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide chebi_ontology 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide 3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide 8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one BRN 5547136 CCRG 81045 CCRG-81045 CCRIS 8996 M & B 39831 M&B 39831 MB 39831 NSC 362856 Sch 52365 TMZ Temodal Temodar methazolastone temozolomida temozolomide temozolomidum CHEBI:72564 temozolomide CAS:85622-93-1 ChemIDplus Drug_Central:2589 DrugCentral PMID:22680781 Europe PMC PMID:22818211 Europe PMC PMID:23246370 Europe PMC PMID:23254891 Europe PMC PMID:23293540 Europe PMC PMID:23335050 Europe PMC PMID:23362460 Europe PMC PMID:23377829 Europe PMC PMID:23385995 Europe PMC PMID:23389760 Europe PMC Reaxys:5547136 Reaxys 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide IUPAC 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide ChemIDplus 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide ChemIDplus 3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide ChemIDplus 8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one ChemIDplus BRN 5547136 ChemIDplus CCRG 81045 ChemIDplus CCRG-81045 ChemIDplus CCRIS 8996 ChemIDplus M & B 39831 ChemIDplus M&B 39831 ChemIDplus MB 39831 ChemIDplus NSC 362856 ChemIDplus Sch 52365 ChemIDplus TMZ ChEBI Temodal KEGG_DRUG Temodar ChEBI methazolastone ChemIDplus temozolomida WHO_MedNet temozolomide ChemIDplus temozolomide WHO_MedNet temozolomidum WHO_MedNet Any organic heterobicyclic compound containing ortho-fused imidazole and tetrazine rings. chebi_ontology imidazotetrazines CHEBI:72565 imidazotetrazine imidazotetrazines ChEBI A nitrogen molecular entity resulting from the formal substitution of one or more of the hydrogens of triazene. 0 N3R3 42.020 42.00922 [*]N=NN([*])[*] chebi_ontology triazene derivatives triazenes CHEBI:72573 triazene derivative triazene derivatives ChEBI triazenes ChEBI Any chromenochromene resulting from the formal cis-fusion of two dihydro chromene rings, together with their substituted derivatives. chebi_ontology tetrahydrochromenochromenes CHEBI:72579 tetrahydrochromenochromene tetrahydrochromenochromenes ChEBI Members of the class of rotenoid which consists of a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton and its substituted products. 0 C16O3R12 240.16940 239.98474 [*]c1c([*])c([*])c2C(=O)C3([*])c4c([*])c([*])c([*])c([*])c4OC([*])([*])C3([*])Oc2c1[*] chebi_ontology CHEBI:72581 rotenones Any organic molecular entity derived from a natural product by partial chemical synthesis. Wikipedia:Semisynthesis chebi_ontology semi-synthetic compound semi-synthetic compounds semi-synthetic derivative semi-synthetic derivatives semisynthetic compound semisynthetic compounds semisynthetic derivatives CHEBI:72588 semisynthetic derivative semi-synthetic compound ChEBI semi-synthetic compounds ChEBI semi-synthetic derivative ChEBI semi-synthetic derivatives ChEBI semisynthetic compound ChEBI semisynthetic compounds ChEBI semisynthetic derivatives ChEBI Any of the carbohydrate-containing antibiotic compounds obtained from the deuteromycetous fungus Papularia sphaerosperma and generally consisting of o-orsellinic acid linked via a spirocyclic structure to a lactose moiety with two different side-chains: a shorter fatty-acid chain at the O-(6') position and a longer side-chain at the O-(3) position of the glucose moiety. Papulacandin D, the simplest member of the papulacandin family, lacks the O-(6'-acyl-beta-galactoside) at the O-(4) position of the glucose residue. The papulacandins show potent antifungal activity against Candida albicans, Geotrichum lactis, Saccharomyces cerevisiae, and Pneumocytis carinii, but are inactive against filamentous fungi, bacteria, and protazoa. PMID:12374387 PMID:20711516 PMID:324958 PMID:3839230 PMID:3839234 PMID:6360972 PMID:7440418 PMID:7649857 PMID:8468238 chebi_ontology papulacandins CHEBI:72596 papulacandin PMID:12374387 Europe PMC PMID:20711516 Europe PMC PMID:324958 Europe PMC PMID:3839230 Europe PMC PMID:3839234 Europe PMC PMID:6360972 Europe PMC PMID:7440418 Europe PMC PMID:7649857 Europe PMC PMID:8468238 Europe PMC papulacandins ChEBI A cyclic ketal in which the ketal carbon is the only common atom of two rings. PMID:19262920 PMID:20024126 PMID:21076755 PMID:21604735 PMID:21860857 PMID:22421755 chebi_ontology spiroacetal spiroacetals spiroketals CHEBI:72600 spiroketal PMID:19262920 Europe PMC PMID:20024126 Europe PMC PMID:21076755 Europe PMC PMID:21604735 Europe PMC PMID:21860857 Europe PMC PMID:22421755 Europe PMC spiroacetal ChEBI spiroacetals ChEBI spiroketals ChEBI Any molecule that consists of at least one carbon atom as part of the electrically neutral entity. chebi_ontology organic compound organic compounds organic molecules CHEBI:72695 organic molecule organic compound ChEBI organic compounds ChEBI organic molecules ChEBI An agonist that binds to and activates aryl hydrocarbon receptors (AhRs). chebi_ontology AHR agonist AHR agonists AhR agonist AhR agonists aryl hydrocarbon receptor agonists CHEBI:72768 aryl hydrocarbon receptor agonist AHR agonist ChEBI AHR agonists ChEBI AhR agonist ChEBI AhR agonists ChEBI aryl hydrocarbon receptor agonists ChEBI Any inhibitor of the biosynthesis of carotenoids. chebi_ontology carotogenesis inhibitors CHEBI:72773 carotogenesis inhibitor carotogenesis inhibitors ChEBI An EC 1.3.99.* (oxidoreductase acting on donor CH-CH group with other acceptors) inhibitor that interferes with the action of phytoene desaturase (zeta-carotene-forming), EC 1.3.99.29, an enzyme of carotenoid biosynthesis that converts phytoene into zeta-carotene (zeta-carotene) via the symmetrical introduction of two double bonds at the C-11 and C-11' positions of phytoene. chebi_ontology 15-cis-phytoene:acceptor oxidoreductase (zeta-carotene-forming) inhibitor 15-cis-phytoene:acceptor oxidoreductase (zeta-carotene-forming) inhibitors 2-step phytoene desaturase inhibitor 2-step phytoene desaturase inhibitors CrtIa inhibitor CrtIa inhibitors EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitors EC 1.3.99.29 inhibitor EC 1.3.99.29 inhibitors phytoene dehydrogenase inhibitor phytoene dehydrogenase inhibitors phytoene desaturase (zeta-carotene-forming) (EC 1.3.99.29) inhibitor phytoene desaturase (zeta-carotene-forming) (EC 1.3.99.29) inhibitors phytoene desaturase (zeta-carotene-forming) inhibitor phytoene desaturase (zeta-carotene-forming) inhibitors phytoene desaturase inhibitor phytoene desaturase inhibitors two-step phytoene desaturase inhibitor two-step phytoene desaturase inhibitors CHEBI:72774 EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor 15-cis-phytoene:acceptor oxidoreductase (zeta-carotene-forming) inhibitor ChEBI 15-cis-phytoene:acceptor oxidoreductase (zeta-carotene-forming) inhibitors ChEBI 2-step phytoene desaturase inhibitor ChEBI 2-step phytoene desaturase inhibitors ChEBI CrtIa inhibitor ChEBI CrtIa inhibitors ChEBI EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitors ChEBI EC 1.3.99.29 inhibitor ChEBI EC 1.3.99.29 inhibitors ChEBI phytoene dehydrogenase inhibitor ChEBI phytoene dehydrogenase inhibitors ChEBI phytoene desaturase (zeta-carotene-forming) (EC 1.3.99.29) inhibitor ChEBI phytoene desaturase (zeta-carotene-forming) (EC 1.3.99.29) inhibitors ChEBI phytoene desaturase (zeta-carotene-forming) inhibitor ChEBI phytoene desaturase (zeta-carotene-forming) inhibitors ChEBI phytoene desaturase inhibitor ChEBI phytoene desaturase inhibitors ChEBI two-step phytoene desaturase inhibitor ChEBI two-step phytoene desaturase inhibitors ChEBI A biomacromolecule composed of carbohydrate residues which is secreted by a microorganism into the surrounding environment. exopolysaccharide Any organic amino compound that has an amino group and a hydroxy group attached to the same carbon atom. Hemiaminals are intermediates in the formation of imines by addition of an amine to an aldehyde or ketone; those derived from primary amines are particularly unstable. 0 CHNOR4 43.025 43.00581 OC([*])([*])N([*])[*] Wikipedia:Hemiaminal chebi_ontology carbinolamine carbinolamines hemiaminals CHEBI:73080 hemiaminal carbinolamine ChEBI carbinolamines ChEBI hemiaminals ChEBI A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group. 0 C12H18N4O6S InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) UNAHYJYOSSSJHH-UHFFFAOYSA-N 346.36000 346.09471 CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O CAS:19044-88-3 KEGG:C18877 PMID:20405146 PMID:20870876 PMID:21983568 PMID:22771930 PMID:23261650 PPDB:494 Patent:US2012108430 Pesticides:19044-88-3 Reaxys:2177305 Wikipedia:Oryzalin 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide chebi_ontology 3,5-Dinitro-N4,N4-dipropylsulphanilamide 3,5-dinitro-N(4),N(4)-dipropylsulfanilamide 4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide CHEBI:73163 oryzalin CAS:19044-88-3 ChemIDplus CAS:19044-88-3 KEGG COMPOUND CAS:19044-88-3 NIST Chemistry WebBook PMID:20405146 Europe PMC PMID:20870876 Europe PMC PMID:21983568 Europe PMC PMID:22771930 Europe PMC PMID:23261650 Europe PMC Pesticides:19044-88-3 Alan Wood's Pesticides Reaxys:2177305 Reaxys 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide IUPAC 3,5-Dinitro-N4,N4-dipropylsulphanilamide ChemIDplus 3,5-dinitro-N(4),N(4)-dipropylsulfanilamide Alan_Wood's_Pesticides 4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide Alan_Wood's_Pesticides A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide. 0 C10H10Cl2O3 InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14) YIVXMZJTEQBPQO-UHFFFAOYSA-N 249.09100 248.00070 OC(=O)CCCOc1ccc(Cl)cc1Cl CHEBI:34376 CAS:94-82-6 KEGG:C14404 PPDB:5 Patent:GB804565 Patent:GB883255 Pesticides:2,4-db Reaxys:1976809 Wikipedia:2,4-DB 4-(2,4-dichlorophenoxy)butanoic acid chebi_ontology 2,4-D butyric acid 4-(2,4-DB) 4-(2,4-Dichlorophenoxy)butyric acid Butoxone Butyrac Embutox Legumex gamma-(2,4-dichlorophenoxy)-butanoic acid gamma-(2,4-dichlorophenoxy)-butyric acid gamma-(2,4-dichlorophenoxy)butanoic acid gamma-(2,4-dichlorophenoxy)butyric acid CHEBI:73173 2,4-DB CAS:94-82-6 ChemIDplus CAS:94-82-6 KEGG COMPOUND CAS:94-82-6 NIST Chemistry WebBook Pesticides:2,4-db Alan Wood's Pesticides Reaxys:1976809 Reaxys 4-(2,4-dichlorophenoxy)butanoic acid IUPAC 2,4-D butyric acid ChemIDplus 4-(2,4-DB) NIST_Chemistry_WebBook 4-(2,4-Dichlorophenoxy)butyric acid KEGG_COMPOUND Butoxone ChemIDplus Butyrac ChemIDplus Embutox ChEBI Legumex ChemIDplus gamma-(2,4-dichlorophenoxy)-butanoic acid ChEBI gamma-(2,4-dichlorophenoxy)-butyric acid ChEBI gamma-(2,4-dichlorophenoxy)butanoic acid ChEBI gamma-(2,4-dichlorophenoxy)butyric acid NIST_Chemistry_WebBook An EC 1.11.1.* (peroxidases) inhibitor that inhibits the action of L-ascorbate peroxidase (EC 1.11.1.11). Wikipedia:L-ascorbate_peroxidase chebi_ontology EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors EC 1.11.1.11 inhibitor EC 1.11.1.11 inhibitors L-ascorbate peroxidase (EC 1.11.1.11) inhibitor L-ascorbate peroxidase (EC 1.11.1.11) inhibitors L-ascorbate peroxidase inhibitor L-ascorbate peroxidase inhibitors L-ascorbate:hydrogen-peroxide oxidoreductase inhibitor L-ascorbate:hydrogen-peroxide oxidoreductase inhibitors L-ascorbic acid peroxidase inhibitor L-ascorbic acid peroxidase inhibitors L-ascorbic acid-specific peroxidase inhibitor L-ascorbic acid-specific peroxidase inhibitors ascorbate peroxidase inhibitor ascorbate peroxidase inhibitors ascorbic acid peroxidase inhibitor ascorbic acid peroxidase inhibitors CHEBI:73181 EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors ChEBI EC 1.11.1.11 inhibitor ChEBI EC 1.11.1.11 inhibitors ChEBI L-ascorbate peroxidase (EC 1.11.1.11) inhibitor ChEBI L-ascorbate peroxidase (EC 1.11.1.11) inhibitors ChEBI L-ascorbate peroxidase inhibitor ChEBI L-ascorbate peroxidase inhibitors ChEBI L-ascorbate:hydrogen-peroxide oxidoreductase inhibitor ChEBI L-ascorbate:hydrogen-peroxide oxidoreductase inhibitors ChEBI L-ascorbic acid peroxidase inhibitor ChEBI L-ascorbic acid peroxidase inhibitors ChEBI L-ascorbic acid-specific peroxidase inhibitor ChEBI L-ascorbic acid-specific peroxidase inhibitors ChEBI ascorbate peroxidase inhibitor ChEBI ascorbate peroxidase inhibitors ChEBI ascorbic acid peroxidase inhibitor ChEBI ascorbic acid peroxidase inhibitors ChEBI Any compound that protects plants by activating their defence mechanisms. chebi_ontology plant activators CHEBI:73182 plant activator plant activators ChEBI An agonist that binds to and activates abscisic acid receptors. chebi_ontology ABA agonist ABA agonists ABA receptor agonist ABA receptor agonists abscisic acid receptor agonists CHEBI:73191 abscisic acid receptor agonist ABA agonist ChEBI ABA agonists ChEBI ABA receptor agonist ChEBI ABA receptor agonists ChEBI abscisic acid receptor agonists ChEBI An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4). PMID:15660355 PMID:22273380 Wikipedia:Protoporphyrinogen_oxidase chebi_ontology EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitors EC 1.3.3.4 inhibitor EC 1.3.3.4 inhibitors HemG inhibitor HemG inhibitors HemY inhibitor HemY inhibitors PPO inhibitor PPO inhibitors Protox inhibitor Protox inhibitors protoporphyrinogen IX oxidase inhibitor protoporphyrinogen IX oxidase inhibitors protoporphyrinogen oxidase (EC 1.3.3.4) inhibitor protoporphyrinogen oxidase (EC 1.3.3.4) inhibitors protoporphyrinogen oxidase inhibitor protoporphyrinogen oxidase inhibitors protoporphyrinogen-IX:oxygen oxidoreductase inhibitor protoporphyrinogen-IX:oxygen oxidoreductase inhibitors protoporphyrinogenase inhibitor protoporphyrinogenase inhibitors CHEBI:73192 EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor PMID:15660355 Europe PMC PMID:22273380 Europe PMC EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitors ChEBI EC 1.3.3.4 inhibitor ChEBI EC 1.3.3.4 inhibitors ChEBI HemG inhibitor ChEBI HemG inhibitors ChEBI HemY inhibitor ChEBI HemY inhibitors ChEBI PPO inhibitor ChEBI PPO inhibitors ChEBI Protox inhibitor ChEBI Protox inhibitors ChEBI protoporphyrinogen IX oxidase inhibitor ChEBI protoporphyrinogen IX oxidase inhibitors ChEBI protoporphyrinogen oxidase (EC 1.3.3.4) inhibitor ChEBI protoporphyrinogen oxidase (EC 1.3.3.4) inhibitors ChEBI protoporphyrinogen oxidase inhibitor ChEBI protoporphyrinogen oxidase inhibitors ChEBI protoporphyrinogen-IX:oxygen oxidoreductase inhibitor ChEBI protoporphyrinogen-IX:oxygen oxidoreductase inhibitors ChEBI protoporphyrinogenase inhibitor ChEBI protoporphyrinogenase inhibitors ChEBI Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins. chebi_ontology gibberellin biosynthesis inhibitors CHEBI:73193 gibberellin biosynthesis inhibitor gibberellin biosynthesis inhibitors ChEBI Any hydrolase inhibitor that interferes with the action of a hydrolase which acts on acid anhydrides (EC 3.6.*.*). CHEBI:76765 chebi_ontology EC 3.6 inhibitor EC 3.6 inhibitors EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors EC 3.6.* inhibitor EC 3.6.* inhibitors EC 3.6.*.* inhibitor EC 3.6.*.* inhibitors acid anhydride hydrolase inhibitor acid anhydride hydrolase inhibitors inhibitor of hydrolase acting on acid anhydride (EC 3.6.*) inhibitors of hydrolase acting on acid anhydride (EC 3.6.*) CHEBI:73216 EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor EC 3.6 inhibitor ChEBI EC 3.6 inhibitors ChEBI EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors ChEBI EC 3.6.* inhibitor ChEBI EC 3.6.* inhibitors ChEBI EC 3.6.*.* inhibitor ChEBI EC 3.6.*.* inhibitors ChEBI acid anhydride hydrolase inhibitor ChEBI acid anhydride hydrolase inhibitors ChEBI inhibitor of hydrolase acting on acid anhydride (EC 3.6.*) ChEBI inhibitors of hydrolase acting on acid anhydride (EC 3.6.*) ChEBI An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. Wikipedia:NF-%CE%BAB chebi_ontology NF-kappaB inhibitors nuclear factor kappa-light-chain-enhancer of activated B cells inhibitor nuclear factor kappa-light-chain-enhancer of activated B cells inhibitors CHEBI:73240 NF-kappaB inhibitor NF-kappaB inhibitors ChEBI nuclear factor kappa-light-chain-enhancer of activated B cells inhibitor ChEBI nuclear factor kappa-light-chain-enhancer of activated B cells inhibitors ChEBI A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 3. PMID:12242329 PMID:12374850 PMID:14592546 Wikipedia:COX-3 chebi_ontology COX-3 inhibitor COX-3 inhibitors cyclo-oxygenase 3 inhibitor cyclo-oxygenase 3 inhibitors cyclooxygenase 3 inhibitors cyclooxygenase-3 inhibitor cyclooxygenase-3 inhibitors CHEBI:73263 cyclooxygenase 3 inhibitor PMID:12242329 Europe PMC PMID:12374850 Europe PMC PMID:14592546 Europe PMC COX-3 inhibitor ChEBI COX-3 inhibitors ChEBI cyclo-oxygenase 3 inhibitor ChEBI cyclo-oxygenase 3 inhibitors ChEBI cyclooxygenase 3 inhibitors ChEBI cyclooxygenase-3 inhibitor ChEBI cyclooxygenase-3 inhibitors ChEBI Any compound that inhibits oxidative phosphorylation. chebi_ontology oxidative phosphorylation inhibitors CHEBI:73267 oxidative phosphorylation inhibitor oxidative phosphorylation inhibitors ChEBI An agonist at any adenosine receptor. adenosine receptor agonist chebi_ontology CHEBI:73311 adenosine receptor agonist adenosine receptor agonist ChEBI An acaricide that kills mites of the genus Sarcoptes. Wikipedia:Scabicide chebi_ontology scabicides CHEBI:73333 scabicide scabicides ChEBI A photochemical role realized in the absorption of ultraviolet light, for example to protect skin cells from damage. Wikipedia:UV_filter chebi_ontology UV filter UV filters ultraviolet filters CHEBI:73335 ultraviolet filter UV filter ChEBI UV filters ChEBI ultraviolet filters ChEBI A drug used in treating and healing of wounds. Wikipedia:Wound_healing chebi_ontology vulneraries wound-healing agent wound-healing agents wound-healing drug wound-healing drugs CHEBI:73336 vulnerary vulneraries ChEBI wound-healing agent ChEBI wound-healing agents ChEBI wound-healing drug ChEBI wound-healing drugs ChEBI An aldehyde of general formula R-CH2-CH=O in which the aldehydic C=O function is attached to a CH2 group at the alpha-position. 0 C2H3OR 43.04460 43.01839 [*]CC=O CHEBI:77661 chebi_ontology a 2,3-saturated aldehyde alpha-CH2-containing aldehydes alpha-methylene aldehyde alpha-methylene aldehydes CHEBI:73359 alpha-CH2-containing aldehyde a 2,3-saturated aldehyde UniProt alpha-CH2-containing aldehydes ChEBI alpha-methylene aldehyde ChEBI alpha-methylene aldehydes ChEBI Any EC 3.4.11.* (aminopeptidase) inhibitor that interferes with the action of methionyl aminopeptidase (EC 3.4.11.18). Wikipedia:Methionyl_aminopeptidase chebi_ontology EC 3.4.11.18 (methionyl aminopeptidase) inhibitors EC 3.4.11.18 inhibitor EC 3.4.11.18 inhibitors L-methionine aminopeptidase inhibitor L-methionine aminopeptidase inhibitors MAP inhibitor MAP inhibitors methionine aminopeptidase inhibitor methionine aminopeptidase inhibitors methionyl aminopeptidase (EC 3.4.11.18) inhibitor methionyl aminopeptidase (EC 3.4.11.18) inhibitors methionyl aminopeptidase inhibitor methionyl aminopeptidase inhibitors peptidase M inhibitor peptidase M inhibitors CHEBI:73360 EC 3.4.11.18 (methionyl aminopeptidase) inhibitor EC 3.4.11.18 (methionyl aminopeptidase) inhibitors ChEBI EC 3.4.11.18 inhibitor ChEBI EC 3.4.11.18 inhibitors ChEBI L-methionine aminopeptidase inhibitor ChEBI L-methionine aminopeptidase inhibitors ChEBI MAP inhibitor ChEBI MAP inhibitors ChEBI methionine aminopeptidase inhibitor ChEBI methionine aminopeptidase inhibitors ChEBI methionyl aminopeptidase (EC 3.4.11.18) inhibitor ChEBI methionyl aminopeptidase (EC 3.4.11.18) inhibitors ChEBI methionyl aminopeptidase inhibitor ChEBI methionyl aminopeptidase inhibitors ChEBI peptidase M inhibitor ChEBI peptidase M inhibitors ChEBI Any methionyl aminopeptidase inhibitor that inhibits the action of methionyl aminopeptidase 2. Wikipedia:METAP2 chebi_ontology MAP2 inhibitor MAP2 inhibitors METAP2 inhibitor METAP2 inhibitors MetAP2 inhibitor MetAP2 inhibitors methionine aminopeptidase 2 inhibitors methionine aminopeptidase-2 inhibitor methionine aminopeptidase-2 inhibitors CHEBI:73361 methionine aminopeptidase 2 inhibitor MAP2 inhibitor ChEBI MAP2 inhibitors ChEBI METAP2 inhibitor ChEBI METAP2 inhibitors ChEBI MetAP2 inhibitor ChEBI MetAP2 inhibitors ChEBI methionine aminopeptidase 2 inhibitors ChEBI methionine aminopeptidase-2 inhibitor ChEBI methionine aminopeptidase-2 inhibitors ChEBI A mancude heterobicyclic organic group consisting of a benzene ring fused to a pyrrole ring. 0 C8N 110.09230 110.00307 C1(=C(C(=C2C(=C1*)N(C(=C2*)*)*)*)*)* chebi_ontology CHEBI:73398 indole skeleton Any organic molecule containing a C#C bond. 0 C2R2 24.021 24.00000 [*]C#C[*] chebi_ontology C#C containing compound C#C containing compounds C#C-containing compound C#C-containing compounds acetylenic compounds CHEBI:73474 acetylenic compound C#C containing compound ChEBI C#C containing compounds ChEBI C#C-containing compound ChEBI C#C-containing compounds ChEBI acetylenic compounds ChEBI An acetylenic compound which a carbon of the C#C moiety is attached to a hydrogen atom. 0 C2HR 25.029 25.00783 [H]C#C[*] chebi_ontology C#C-H containing compound C#C-H containing compounds C#CH containing compound C#CH containing compounds terminal acetylenic compounds CHEBI:73477 terminal acetylenic compound C#C-H containing compound ChEBI C#C-H containing compounds ChEBI C#CH containing compound ChEBI C#CH containing compounds ChEBI terminal acetylenic compounds ChEBI Any organonitrogen heterocyclic compound that is a derivative of a naphthyridine. chebi_ontology naphthyridine derivatives CHEBI:73539 naphthyridine derivative naphthyridine derivatives ChEBI A bicyclic organic group that contains both carbon and hetero atoms. chebi_ontology organic heterobicyclic rings CHEBI:73541 organic heterobicyclic ring organic heterobicyclic rings ChEBI A vitamin D that is calciol or its hydroxylated metabolites calcidiol and calcitriol. Calciol (also known as vitamin D3) acts as a hormone precursor, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. chebi_ontology D3 vitamin vitamin D3s CHEBI:73558 D3 vitamins D3 vitamins D3 vitamin ChEBI vitamin D3s ChEBI An L-alpha-amino acid which is biosynthesised from erythrose 4-phosphate and phosphoenolpyruvate (i.e. phenylalanine, tyrosine, and tryptophan). A closed class. chebi_ontology erythrose 4-phosphate and phosphoenolpyruvate family amino acid erythrose 4-phosphate and phosphoenolpyruvate family amino acids erythrose 4-phosphate family amino acid erythrose 4-phosphate family amino acids erythrose 4-phosphate/phosphoenolpyruvate family amino acids phosphoenolpyruvate family amino acid phosphoenolpyruvate family amino acids CHEBI:73690 erythrose 4-phosphate/phosphoenolpyruvate family amino acid erythrose 4-phosphate and phosphoenolpyruvate family amino acid ChEBI erythrose 4-phosphate and phosphoenolpyruvate family amino acids ChEBI erythrose 4-phosphate family amino acid ChEBI erythrose 4-phosphate family amino acids ChEBI erythrose 4-phosphate/phosphoenolpyruvate family amino acids ChEBI phosphoenolpyruvate family amino acid ChEBI phosphoenolpyruvate family amino acids ChEBI A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides. PMID:10634967 PMID:19159745 PMID:22259088 PMID:22268909 PMID:22524563 PMID:22879057 PMID:23082721 PMID:23148246 PMID:23396451 PMID:23466063 PMID:23557707 Wikipedia:Ketone_body chebi_ontology ketone bodies CHEBI:73693 ketone body PMID:10634967 Europe PMC PMID:19159745 Europe PMC PMID:22259088 Europe PMC PMID:22268909 Europe PMC PMID:22524563 Europe PMC PMID:22879057 Europe PMC PMID:23082721 Europe PMC PMID:23148246 Europe PMC PMID:23396451 Europe PMC PMID:23466063 Europe PMC PMID:23557707 Europe PMC ketone bodies ChEBI The simplest diazo compound, in which a diazo group is attached to a methylene group. 0 CH2N2 InChI=1S/CH2N2/c1-3-2/h1H2 YXHKONLOYHBTNS-UHFFFAOYSA-N 42.04000 42.02180 C=[N+]=[N-] CAS:334-88-3 KEGG:C19387 PMID:20885373 PMID:21618376 PMID:6675207 Reaxys:102415 Wikipedia:Diazomethane diazomethane chebi_ontology EINECS 206-382-7 acomethylene azimethylene diazirine diazonium methylide CHEBI:73716 diazomethane CAS:334-88-3 ChemIDplus CAS:334-88-3 KEGG COMPOUND CAS:334-88-3 NIST Chemistry WebBook PMID:20885373 Europe PMC PMID:21618376 Europe PMC PMID:6675207 Europe PMC Reaxys:102415 Reaxys diazomethane IUPAC EINECS 206-382-7 ChemIDplus acomethylene NIST_Chemistry_WebBook azimethylene NIST_Chemistry_WebBook diazirine NIST_Chemistry_WebBook diazonium methylide ChemIDplus A carbohydrate derivative in which one or more of the oxygens or hydroxy groups of the parent carbohydrate is replaced by sulfur or -SR, where R can be hydrogen or any group. PMID:16240117 PMID:23330717 chebi_ontology thiosugars CHEBI:73754 thiosugar PMID:16240117 Europe PMC PMID:23330717 Europe PMC thiosugars ChEBI A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice. 0 C2H8N2 InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3 DIIIISSCIXVANO-UHFFFAOYSA-N 60.09830 60.06875 CNNC CAS:540-73-8 KEGG:C19176 PMID:21193881 Reaxys:1730826 Wikipedia:1,2-dimethylhydrazine 1,2-dimethylhydrazine chebi_ontology (CH3NH)2 (MeNH)2 1,2-DMH 1,2-Dimethylhydrazin DMH MeNHNHMe N,N'-dimethylhydrazine SDMH hydrazomethane sym-dimethylhydrazine symmetrical-dimethylhydrazine CHEBI:73755 1,2-dimethylhydrazine CAS:540-73-8 ChemIDplus CAS:540-73-8 KEGG COMPOUND CAS:540-73-8 NIST Chemistry WebBook PMID:21193881 Europe PMC Reaxys:1730826 Reaxys 1,2-dimethylhydrazine IUPAC (CH3NH)2 NIST_Chemistry_WebBook (MeNH)2 ChEBI 1,2-DMH ChemIDplus 1,2-Dimethylhydrazin ChemIDplus DMH ChemIDplus MeNHNHMe ChEBI N,N'-dimethylhydrazine ChEBI SDMH ChemIDplus hydrazomethane NIST_Chemistry_WebBook sym-dimethylhydrazine ChemIDplus symmetrical-dimethylhydrazine ChemIDplus An organic cation resulting from the protonation of both of the nitrogens of 1,2-dimethylhydrazine. +2 C2H10N2 InChI=1S/C2H10N2/c1-3-4-2/h3-4H2,1-2H3/q+2 HINNVIATDCXOGW-UHFFFAOYSA-N 62.11420 62.08330 C[NH2+][NH2+]C 1,2-dimethyldiazanediium chebi_ontology CHEBI:73760 1,2-dimethylhydrazine(2+) 1,2-dimethyldiazanediium IUPAC An antimetabolite that impairs the action of folic acids Wikipedia:Antifolate chebi_ontology antifolates folic acid antagonist folic acid antagonists CHEBI:73913 antifolate antifolates ChEBI folic acid antagonist ChEBI folic acid antagonists ChEBI A disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond. 0 C12H22O10 InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1 VSRVRBXGIRFARR-OUEGHFHCSA-N 326.29710 326.12130 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O CAS:17074-02-1 HMDB:HMDB0029523 KEGG:C08244 KNApSAcK:C00001143 PMID:22484948 PMID:23221119 Reaxys:1290802 Wikipedia:Neohesperidose 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose chebi_ontology 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose Neohesperidose alpha-L-Rhap-(1->2)-beta-D-Glcp CHEBI:73992 alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose CAS:17074-02-1 KEGG COMPOUND PMID:22484948 Europe PMC PMID:23221119 Europe PMC Reaxys:1290802 Reaxys 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose IUPAC 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose ChEBI 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose KEGG_COMPOUND 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose ChEBI Neohesperidose KEGG_COMPOUND alpha-L-Rhap-(1->2)-beta-D-Glcp ChEBI Any substance that stimulates the corneal nerves in the eves to cause tears. PMID:4919431 chebi_ontology lachrymators CHEBI:74136 lachrymator PMID:4919431 Europe PMC lachrymators ChEBI An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that inhibits the action of ribonucleoside-diphosphate reductase (EC 1.17.4.1). Wikipedia:Ribonucleoside-diphosphate_reductase chebi_ontology 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitor 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitors ADP reductase inhibitor ADP reductase inhibitors CDP reductase inhibitor CDP reductase inhibitors EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitors EC 1.17.4.1 inhibitor EC 1.17.4.1 inhibitors RR inhibitor RR inhibitors UDP reductase inhibitor UDP reductase inhibitors nucleoside diphosphate reductase inhibitor nucleoside diphosphate reductase inhibitors ribonucleoside diphosphate reductase inhibitor ribonucleoside diphosphate reductase inhibitors ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitor ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitors ribonucleoside-diphosphate reductase inhibitor ribonucleoside-diphosphate reductase inhibitors ribonucleotide diphosphate reductase inhibitor ribonucleotide diphosphate reductase inhibitors ribonucleotide reductase inhibitor ribonucleotide reductase inhibitors CHEBI:74213 EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitor ChEBI 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitors ChEBI ADP reductase inhibitor ChEBI ADP reductase inhibitors ChEBI CDP reductase inhibitor ChEBI CDP reductase inhibitors ChEBI EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitors ChEBI EC 1.17.4.1 inhibitor ChEBI EC 1.17.4.1 inhibitors ChEBI RR inhibitor ChEBI RR inhibitors ChEBI UDP reductase inhibitor ChEBI UDP reductase inhibitors ChEBI nucleoside diphosphate reductase inhibitor ChEBI nucleoside diphosphate reductase inhibitors ChEBI ribonucleoside diphosphate reductase inhibitor ChEBI ribonucleoside diphosphate reductase inhibitors ChEBI ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitor ChEBI ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitors ChEBI ribonucleoside-diphosphate reductase inhibitor ChEBI ribonucleoside-diphosphate reductase inhibitors ChEBI ribonucleotide diphosphate reductase inhibitor ChEBI ribonucleotide diphosphate reductase inhibitors ChEBI ribonucleotide reductase inhibitor ChEBI ribonucleotide reductase inhibitors ChEBI A lactam in which the amide bond is contained within a five-membered ring, which includes the amide nitrogen and the carbonyl carbon. chebi_ontology gamma-lactams CHEBI:74222 gamma-lactam gamma-lactams ChEBI A pyrrolidinone in which the oxo group is at position 2 of the pyrrolidine ring. 0 C4NOR7 78.04890 77.99799 [*]N1C(=O)C([*])([*])C([*])([*])C1([*])[*] chebi_ontology 2-pyrrolidinones 2-pyrrolidones pyrrolidine-2-ones CHEBI:74223 pyrrolidin-2-ones 2-pyrrolidinones ChEBI 2-pyrrolidones ChEBI pyrrolidine-2-ones ChEBI An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the activity of sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming), EC 1.1.1.153, which plays an important part in the biosynthesis of tetrahydrobiopterin. Wikipedia:Sepiapterin_reductase chebi_ontology 7,8-dihydrobiopterin:NADP(+) oxidoreductase 7,8-dihydrobiopterin:NADP(+) oxidoreductases EC 1.1.1.153 (sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)) inhibitor EC 1.1.1.153 (sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)) inhibitors EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitors L-erythro-7,8-dihydrobiopterin:NADP(+) oxidoreductase inhibitor L-erythro-7,8-dihydrobiopterin:NADP(+) oxidoreductase inhibitors sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) (EC 1.1.1.153) inhibitor sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) (EC 1.1.1.153) inhibitors sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) inhibitor sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) inhibitors sepiapterin reductase inhibitor sepiapterin reductase inhibitors CHEBI:74234 EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor 7,8-dihydrobiopterin:NADP(+) oxidoreductase ChEBI 7,8-dihydrobiopterin:NADP(+) oxidoreductases ChEBI EC 1.1.1.153 (sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)) inhibitor ChEBI EC 1.1.1.153 (sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)) inhibitors ChEBI EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitors ChEBI L-erythro-7,8-dihydrobiopterin:NADP(+) oxidoreductase inhibitor ChEBI L-erythro-7,8-dihydrobiopterin:NADP(+) oxidoreductase inhibitors ChEBI sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) (EC 1.1.1.153) inhibitor ChEBI sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) (EC 1.1.1.153) inhibitors ChEBI sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) inhibitor ChEBI sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) inhibitors ChEBI sepiapterin reductase inhibitor ChEBI sepiapterin reductase inhibitors ChEBI Any compound used as a monomer for a polymerisation process. The term is generally used in relation to industrial polymerisation processes. chebi_ontology polymerization monomer CHEBI:74236 polymerisation monomer polymerization monomer ChEBI A member of the class of ureas that has the general formula R-CO-NH-CO-NH2 or R-CO-NH-CO-NH-CO-R', formally derived by the acylation of one or both of the nitrogens of a urea moiety. chebi_ontology N-acylureas ureide ureides CHEBI:74266 N-acylurea N-acylureas ChEBI ureide ChEBI ureides ChEBI A D-alpha-amino acid zwitterion that is D-valine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1 KZSNJWFQEVHDMF-SCSAIBSYSA-N 117.14630 117.07898 CC(C)[C@@H]([NH3+])C([O-])=O MetaCyc:CPD-3642 (2R)-2-ammonio-3-methylbutanoate chebi_ontology D-valine CHEBI:74338 D-valine zwitterion (2R)-2-ammonio-3-methylbutanoate IUPAC D-valine UniProt An organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin. 0 C21H20O8 InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1 YVCVYCSAAZQOJI-JHQYFNNDSA-N 400.37870 400.11582 [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O CAS:6559-91-7 PMID:15246103 PMID:19396467 PMID:21398491 PMID:21706170 Reaxys:1358259 (5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one 4'-demethylepipodophyllotoxin chebi_ontology (-)-4'-demethylepipodophyllotoxin 4'-O-demethyl-4-epipodophyllotoxin 4'-O-demethylepipodophyllotoxin 4'-demethyl-9-epipodophyllotoxin DMEP epi-4'-demethylpodophyllotoxin CHEBI:74422 4'-demethylepipodophyllotoxin CAS:6559-91-7 ChemIDplus PMID:15246103 Europe PMC PMID:19396467 Europe PMC PMID:21398491 Europe PMC PMID:21706170 Europe PMC Reaxys:1358259 Reaxys (5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one IUPAC 4'-demethylepipodophyllotoxin UniProt (-)-4'-demethylepipodophyllotoxin ChEBI 4'-O-demethyl-4-epipodophyllotoxin ChEBI 4'-O-demethylepipodophyllotoxin ChEBI 4'-demethyl-9-epipodophyllotoxin ChEBI DMEP ChEBI epi-4'-demethylpodophyllotoxin ChEBI A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen). PMID:16354242 PMID:16573399 PMID:16575097 PMID:22348679 PMID:22352734 PMID:22353666 PMID:22835053 PMID:22998987 PMID:7112203 chebi_ontology Tylenol poisoning antidote Tylenol poisoning antidotes acetaminophen poisoning antidote acetaminophen poisoning antidotes antidote to Tylenol poisoning antidote to acetaminophen poisoning antidotes to Tylenol poisoning antidotes to acetaminophen poisoning antidotes to paracetamol poisoning paracetamol poisoning antidote paracetamol poisoning antidotes CHEBI:74529 antidote to paracetamol poisoning PMID:16354242 Europe PMC PMID:16573399 Europe PMC PMID:16575097 Europe PMC PMID:22348679 Europe PMC PMID:22352734 Europe PMC PMID:22353666 Europe PMC PMID:22835053 Europe PMC PMID:22998987 Europe PMC PMID:7112203 Europe PMC Tylenol poisoning antidote ChEBI Tylenol poisoning antidotes ChEBI acetaminophen poisoning antidote ChEBI acetaminophen poisoning antidotes ChEBI antidote to Tylenol poisoning ChEBI antidote to acetaminophen poisoning ChEBI antidotes to Tylenol poisoning ChEBI antidotes to acetaminophen poisoning ChEBI antidotes to paracetamol poisoning ChEBI paracetamol poisoning antidote ChEBI paracetamol poisoning antidotes ChEBI A role borne by a molecule that acts to counteract or neutralize the deleterious effects of curare. PMID:13358565 PMID:13386996 PMID:14128111 PMID:1579914 PMID:3896015 PMID:5333582 PMID:5352084 PMID:7720787 chebi_ontology antidote to curare antidote to tubocurarine antidote to tubocurarine poisoning antidotes to curare antidotes to curare poisoning antidotes to tubocurarine antidotes to tubocurarine poisoning curare antidote curare antidotes curare poisoning antidote curare poisoning antidotes tubocurarine antidote tubocurarine antidotes CHEBI:74530 antidote to curare poisoning PMID:13358565 Europe PMC PMID:13386996 Europe PMC PMID:14128111 Europe PMC PMID:1579914 Europe PMC PMID:3896015 Europe PMC PMID:5333582 Europe PMC PMID:5352084 Europe PMC PMID:7720787 Europe PMC antidote to curare ChEBI antidote to tubocurarine ChEBI antidote to tubocurarine poisoning ChEBI antidotes to curare ChEBI antidotes to curare poisoning ChEBI antidotes to tubocurarine ChEBI antidotes to tubocurarine poisoning ChEBI curare antidote ChEBI curare antidotes ChEBI curare poisoning antidote ChEBI curare poisoning antidotes ChEBI tubocurarine antidote ChEBI tubocurarine antidotes ChEBI A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-sn-glycero-3-phosphate. -2 C21H39O7P InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/p-2/b10-9-/t20-/m1/s1 WRGQSWVCFNIUNZ-GDCKJWNLSA-L 434.50390 434.24444 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O (2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphate chebi_ontology 1-(9Z)-octadecenoyl-sn-glycero-3-phosphate(2-) 1-(9Z-octadecenoyl)-sn-glycero-3-phosphate 1-(Z)-octadec-9-enoyl-sn-glycero-3-phosphate(2-) 1-oleoylglycero-3-phosphate(2-) CHEBI:74544 1-oleoyl-sn-glycero-3-phosphate(2-) (2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphate IUPAC 1-(9Z)-octadecenoyl-sn-glycero-3-phosphate(2-) SUBMITTER 1-(9Z-octadecenoyl)-sn-glycero-3-phosphate UniProt 1-(Z)-octadec-9-enoyl-sn-glycero-3-phosphate(2-) ChEBI 1-oleoylglycero-3-phosphate(2-) SUBMITTER Any steroid lactone that is a C23 steroid with a five-membered lactone ring at C-17 and its substituted derivatives. They form the aglycone constituents of cardiac glycosides. chebi_ontology CHEBI:74634 cardenolides An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence. 0 C20H23NO4 InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 DQCKKXVULJGBQN-XFWGSAIBSA-N 341.40096 341.16271 Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC1CC1 Beilstein:3596648 CAS:16590-41-3 DrugBank:DB00704 Drug_Central:1765 HMDB:HMDB0014842 KEGG:C07253 KEGG:D05113 LINCS:LSM-3962 PMID:17023477 PMID:24107112 PMID:24659754 PMID:27690505 PMID:27700187 PMID:27787292 PMID:27813192 PMID:27875802 PMID:27922226 PMID:27936293 PMID:27987236 PMID:28011389 PMID:28029718 PMID:28044452 PMID:28061017 PMID:28068780 PMID:28106937 PMID:28118565 PMID:28130024 PMID:28144772 PMID:28153651 PMID:28161142 PMID:28168894 PMID:28184294 Patent:US3332950 Reaxys:3596648 Wikipedia:Naltrexone 3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one Naltrexone chebi_ontology 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one N-Cyclopropylmethyl-14-hydroxydihydromorphinone N-Cyclopropylmethylnoroxymorphone naltrexone CHEBI:7465 naltrexone Beilstein:3596648 Beilstein CAS:16590-41-3 ChemIDplus CAS:16590-41-3 KEGG COMPOUND CAS:16590-41-3 NIST Chemistry WebBook Drug_Central:1765 DrugCentral PMID:17023477 Europe PMC PMID:24107112 Europe PMC PMID:24659754 Europe PMC PMID:27690505 Europe PMC PMID:27700187 Europe PMC PMID:27787292 Europe PMC PMID:27813192 Europe PMC PMID:27875802 Europe PMC PMID:27922226 Europe PMC PMID:27936293 Europe PMC PMID:27987236 Europe PMC PMID:28011389 Europe PMC PMID:28029718 Europe PMC PMID:28044452 Europe PMC PMID:28061017 Europe PMC PMID:28068780 Europe PMC PMID:28106937 Europe PMC PMID:28118565 Europe PMC PMID:28130024 Europe PMC PMID:28144772 Europe PMC PMID:28153651 Europe PMC PMID:28161142 Europe PMC PMID:28168894 Europe PMC PMID:28184294 Europe PMC Reaxys:3596648 Reaxys 3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one IUPAC Naltrexone KEGG_COMPOUND 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one ChemIDplus 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one ChemIDplus N-Cyclopropylmethyl-14-hydroxydihydromorphinone ChemIDplus N-Cyclopropylmethylnoroxymorphone ChemIDplus naltrexone ChemIDplus A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. 0 C14H14O3 InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N 230.25920 230.09429 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O CHEBI:603695 Beilstein:3591067 CAS:22204-53-1 DrugBank:DB00788 Drug_Central:1883 HMDB:HMDB0001923 KEGG:D00118 LINCS:LSM-5689 PMID:18044350 PMID:24478225 PMID:9784154 Patent:US3904682 Patent:US4009197 Wikipedia:Naproxen (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid Naproxen naproxen chebi_ontology (+)-(S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid (+)-(S)-Naproxen (+)-2-(6-Methoxy-2-naphthyl)propionic acid (+)-2-(Methoxy-2-naphthyl)-propionic acid (+)-2-(Methoxy-2-naphthyl)-propionsaeure (+)-Naproxen (S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid (S)-(+)-Naproxen (S)-2-(6-Methoxy-2-naphthyl)propanoic acid (S)-2-(6-Methoxy-2-naphthyl)propionic acid (S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid (S)-Naproxen naproxen naproxene naproxeno naproxenum CHEBI:7476 naproxen Beilstein:3591067 Beilstein CAS:22204-53-1 ChemIDplus CAS:22204-53-1 KEGG COMPOUND Drug_Central:1883 DrugCentral PMID:18044350 Europe PMC PMID:24478225 Europe PMC PMID:9784154 ChEMBL (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid IUPAC Naproxen KEGG_COMPOUND naproxen ChEMBL (+)-(S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid ChemIDplus (+)-(S)-Naproxen ChemIDplus (+)-2-(6-Methoxy-2-naphthyl)propionic acid ChemIDplus (+)-2-(Methoxy-2-naphthyl)-propionic acid ChemIDplus (+)-2-(Methoxy-2-naphthyl)-propionsaeure ChemIDplus (+)-Naproxen ChemIDplus (S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid ChemIDplus (S)-(+)-Naproxen ChemIDplus (S)-2-(6-Methoxy-2-naphthyl)propanoic acid ChemIDplus (S)-2-(6-Methoxy-2-naphthyl)propionic acid ChemIDplus (S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid ChemIDplus (S)-Naproxen ChemIDplus naproxen DrugBank naproxene ChemIDplus naproxeno ChemIDplus naproxenum ChemIDplus A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. Wikipedia:Astringent chebi_ontology adstringent adstringents astringents CHEBI:74783 astringent adstringent ChEBI adstringents ChEBI astringents ChEBI Any organic aromatic compound having one or more hydroxy groups attached to a heteroarene ring. chebi_ontology hetaryl hydroxy compound hetaryl hydroxy compounds heteroaromatic hydroxy compound heteroaromatic hydroxy compounds heteroaryl hydroxy compounds CHEBI:74818 heteroaryl hydroxy compound hetaryl hydroxy compound ChEBI hetaryl hydroxy compounds ChEBI heteroaromatic hydroxy compound ChEBI heteroaromatic hydroxy compounds ChEBI heteroaryl hydroxy compounds ChEBI A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide. 0 C13H29N3 InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16) HILAYQUKKYWPJW-UHFFFAOYSA-N 227.38950 227.23615 CCCCCCCCCCCCNC(N)=N CAS:112-65-2 PMID:7623770 Reaxys:637515 1-dodecylguanidine chebi_ontology 1-laurylguanidine C12-G dodecylguanidine laurylguanidine n-dodecylguanidine CHEBI:74880 1-dodecylguanidine CAS:112-65-2 ChemIDplus PMID:7623770 Europe PMC Reaxys:637515 Reaxys 1-dodecylguanidine IUPAC 1-laurylguanidine ChEBI C12-G ChEBI dodecylguanidine ChemIDplus laurylguanidine ChEBI n-dodecylguanidine ChEBI A guanidinium ion resulting from the protonation of the imino nitrogen of 1-dodecylguanidine. The major species at pH 7.3. +1 C13H30N3 InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)/p+1 HILAYQUKKYWPJW-UHFFFAOYSA-O 228.39740 228.24342 CCCCCCCCCCCCNC(N)=[NH2+] amino(dodecylamino)methaniminium chebi_ontology 1-dodecylguanidinium 1-laurylguanidine(1+) 1-laurylguanidinium laurylguanidine(1+) laurylguanidinium n-dodecylguanidine(1+) n-dodecylguanidinium CHEBI:74887 1-dodecylguanidine(1+) amino(dodecylamino)methaniminium IUPAC 1-dodecylguanidinium ChEBI 1-laurylguanidine(1+) ChEBI 1-laurylguanidinium ChEBI laurylguanidine(1+) ChEBI laurylguanidinium ChEBI n-dodecylguanidine(1+) ChEBI n-dodecylguanidinium ChEBI Any oligosaccharide that has a biosynthetic pathway in common with that of raffinose. PMID:23621405 PMID:23727589 PMID:23879777 PMID:23882273 chebi_ontology raffinose family oligosaccharides CHEBI:74961 raffinose family oligosaccharide raffinose family oligosaccharide PMID:23621405 Europe PMC PMID:23727589 Europe PMC PMID:23879777 Europe PMC PMID:23882273 Europe PMC raffinose family oligosaccharides ChEBI Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates. chebi_ontology chromogen chromogenic compounds chromogens CHEBI:75050 chromogenic compound chromogen ChEBI chromogenic compounds ChEBI chromogens ChEBI A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. 0 C15H10O4 InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H RTIXKCRFFJGDFG-UHFFFAOYSA-N 254.23750 254.05791 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 CHEBI:3683 Beilstein:233276 CAS:480-40-0 HMDB:HMDB0036619 KEGG:C10028 KNApSAcK:C00003794 LINCS:LSM-6566 LIPID_MAPS_instance:LMPK12110189 MetaCyc:CPD-8184 PDBeChem:57D PMID:1772594 PMID:21544919 PMID:22864849 PMID:22991264 PMID:23104078 PMID:23125118 PMID:23194824 PMID:23256457 PMID:23296950 PMID:23357962 PMID:23468207 PMID:23536316 PMID:23636231 PMID:23744338 PMID:23888052 PMID:23945741 PMID:23962900 Reaxys:233276 Wikipedia:Chrysin chebi_ontology 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one 5,7-Dihydroxyflavone 5,7-dihydroxy-2-phenylchromen-4-one CHEBI:75095 chrysin chrysin An EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor that interferes with the action of lysine 2,3-aminomutase (EC 5.4.3.2). chebi_ontology EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitors EC 5.4.3.2 inhibitor EC 5.4.3.2 inhibitors L-lysine 2,3-aminomutase inhibitor L-lysine 2,3-aminomutase inhibitors lysine 2,3-aminomutase (EC 5.4.3.2) inhibitor lysine 2,3-aminomutase (EC 5.4.3.2) inhibitors lysine 2,3-aminomutase inhibitor lysine 2,3-aminomutase inhibitors CHEBI:75190 EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitors ChEBI EC 5.4.3.2 inhibitor ChEBI EC 5.4.3.2 inhibitors ChEBI L-lysine 2,3-aminomutase inhibitor ChEBI L-lysine 2,3-aminomutase inhibitors ChEBI lysine 2,3-aminomutase (EC 5.4.3.2) inhibitor ChEBI lysine 2,3-aminomutase (EC 5.4.3.2) inhibitors ChEBI lysine 2,3-aminomutase inhibitor ChEBI lysine 2,3-aminomutase inhibitors ChEBI A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide. 0 C5H10N2S2 InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3 QAYICIQNSGETAS-UHFFFAOYSA-N 162.27600 162.02854 CN1CSC(=S)N(C)C1 AGR:IND43742540 AGR:IND44217344 AGR:IND89053727 AGR:IND90028778 CAS:533-74-4 KEGG:C18457 PMID:18399425 PMID:22228481 PMID:22522815 PMID:4736772 PMID:786239 PPDB:203 Reaxys:116039 3,5-dimethyl-1,3,5-thiadiazinane-2-thione chebi_ontology 2-thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine 3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione 3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine 3,5-dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione 3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione 3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione Basamid Crag 974 DMTT Dazoberg Mylone NSC 4737 Tiazon UCC 974 dimethylformocarbothialdine tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thione CHEBI:75212 dazomet AGR:IND43742540 Europe PMC AGR:IND44217344 Europe PMC AGR:IND89053727 Europe PMC AGR:IND90028778 Europe PMC CAS:533-74-4 ChemIDplus CAS:533-74-4 KEGG COMPOUND CAS:533-74-4 NIST Chemistry WebBook PMID:18399425 Europe PMC PMID:22228481 Europe PMC PMID:22522815 Europe PMC PMID:4736772 Europe PMC PMID:786239 Europe PMC Reaxys:116039 Reaxys 3,5-dimethyl-1,3,5-thiadiazinane-2-thione IUPAC 2-thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine ChemIDplus 3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione ChemIDplus 3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine ChemIDplus 3,5-dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione ChemIDplus 3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione ChemIDplus 3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione ChemIDplus Basamid NIST_Chemistry_WebBook Crag 974 ChemIDplus DMTT ChemIDplus Dazoberg ChEBI Mylone ChemIDplus NSC 4737 NIST_Chemistry_WebBook Tiazon ChEBI UCC 974 ChemIDplus dimethylformocarbothialdine ChemIDplus tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione ChemIDplus tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thione ChemIDplus A racemate comprising equimolar amounts of (R)- and (S)-myclobutanil. A sterol demethylation inhibitor, it is a widely-used agricultural fungicide. CAS:88671-89-0 KEGG:C18477 PMID:15823329 PMID:16248555 PMID:16971344 PMID:17484520 PMID:18683908 PMID:21967215 PMID:22288843 PMID:22415649 PMID:22526985 PMID:23939881 PMID:24014248 PMID:24249205 PMID:24666947 PMID:25043148 Patent:EP145294 Pesticides:myclobutanil Reaxys:7138849 Wikipedia:Myclobutanil rac-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile chebi_ontology (+-)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile (+-)-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile (+-)-myclobutanil HOE 39304F Nova RH-3866 Rally Synthane Systhane rac-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile rac-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile rac-myclobutanil CHEBI:75281 myclobutanil CAS:88671-89-0 ChemIDplus CAS:88671-89-0 KEGG COMPOUND CAS:88671-89-0 NIST Chemistry WebBook PMID:15823329 Europe PMC PMID:16248555 Europe PMC PMID:16971344 Europe PMC PMID:17484520 Europe PMC PMID:18683908 Europe PMC PMID:21967215 Europe PMC PMID:22288843 Europe PMC PMID:22415649 Europe PMC PMID:22526985 Europe PMC PMID:23939881 Europe PMC PMID:24014248 Europe PMC PMID:24249205 Europe PMC PMID:24666947 Europe PMC PMID:25043148 Europe PMC Pesticides:myclobutanil Alan Wood's Pesticides Reaxys:7138849 Reaxys rac-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC (+-)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile ChEBI (+-)-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile ChemIDplus (+-)-myclobutanil ChemIDplus HOE 39304F ChemIDplus Nova ChemIDplus RH-3866 NIST_Chemistry_WebBook Rally ChemIDplus Synthane ChemIDplus Systhane ChemIDplus rac-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile ChEBI rac-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile ChEBI rac-myclobutanil ChEBI Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. PMID:12604527 PMID:19835945 chebi_ontology ergosterol biosynthesis inhibitors CHEBI:75282 ergosterol biosynthesis inhibitor PMID:12604527 Europe PMC PMID:19835945 Europe PMC ergosterol biosynthesis inhibitors ChEBI A monocarboxylic acid anion that is the conjugate base of (R)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. -1 C10H10ClO3 InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/p-1/t7-/m1/s1 WNTGYJSOUMFZEP-SSDOTTSWSA-M 213.63800 213.03240 C[C@@H](Oc1ccc(Cl)cc1C)C([O-])=O MetaCyc:CPD-15723 PMID:12501996 PMID:16731970 PMID:16820480 (2R)-2-(4-chloro-2-methylphenoxy)propanoate (R)-2-(4-chloro-2-methylphenoxy)propanoate chebi_ontology (2R)-2-(4-chloro-2-methylphenoxy)propionate CHEBI:75284 (R)-2-(4-chloro-2-methylphenoxy)propanoate MetaCyc:CPD-15723 SUBMITTER PMID:12501996 SUBMITTER PMID:16731970 SUBMITTER PMID:16820480 SUBMITTER (2R)-2-(4-chloro-2-methylphenoxy)propanoate IUPAC (R)-2-(4-chloro-2-methylphenoxy)propanoate UniProt (2R)-2-(4-chloro-2-methylphenoxy)propionate ChEBI A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. -1 C10H10ClO3 InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/p-1/t7-/m0/s1 WNTGYJSOUMFZEP-ZETCQYMHSA-M 213.63800 213.03240 C[C@H](Oc1ccc(Cl)cc1C)C([O-])=O MetaCyc:CPD-15724 PMID:12501996 PMID:16731970 PMID:16820480 (2S)-2-(4-chloro-2-methylphenoxy)propanoate (S)-2-(4-chloro-2-methylphenoxy)propanoate chebi_ontology (2S)-2-(4-chloro-2-methylphenoxy)propionate CHEBI:75285 (S)-2-(4-chloro-2-methylphenoxy)propanoate MetaCyc:CPD-15724 SUBMITTER PMID:12501996 SUBMITTER PMID:16731970 SUBMITTER PMID:16820480 SUBMITTER (2S)-2-(4-chloro-2-methylphenoxy)propanoate IUPAC (S)-2-(4-chloro-2-methylphenoxy)propanoate UniProt (2S)-2-(4-chloro-2-methylphenoxy)propionate ChEBI A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-dichlorprop. The major species at pH 7.3 -1 C9H7Cl2O3 InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/p-1/t5-/m0/s1 MZHCENGPTKEIGP-YFKPBYRVSA-M 234.05600 232.97777 C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O MetaCyc:CPD-15726 PMID:12501996 PMID:16731970 PMID:16820480 (2S)-2-(2,4-dichlorophenoxy)propanoate chebi_ontology (2S)-2-(2,4-dichlorophenoxy)propionate (S)-(2,4-dichlorophenoxy)propanoate CHEBI:75287 (S)-dichlorprop(1-) MetaCyc:CPD-15726 SUBMITTER PMID:12501996 SUBMITTER PMID:16731970 SUBMITTER PMID:16820480 SUBMITTER (2S)-2-(2,4-dichlorophenoxy)propanoate IUPAC (2S)-2-(2,4-dichlorophenoxy)propionate ChEBI (S)-(2,4-dichlorophenoxy)propanoate UniProt A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (R)-dichlorprop. The major species at pH 7.3 -1 C9H7Cl2O3 InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/p-1/t5-/m1/s1 MZHCENGPTKEIGP-RXMQYKEDSA-M 234.05600 232.97777 C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O MetaCyc:CPD-15728 PMID:12501996 PMID:16731970 PMID:16820480 (2R)-2-(2,4-dichlorophenoxy)propanoate chebi_ontology (R)-(2,4-dichlorophenoxy)propanoate (R)-(2,4-dichlorophenoxy)propionate CHEBI:75288 (R)-dichlorprop(1-) MetaCyc:CPD-15728 SUBMITTER PMID:12501996 SUBMITTER PMID:16731970 SUBMITTER PMID:16820480 SUBMITTER (2R)-2-(2,4-dichlorophenoxy)propanoate IUPAC (R)-(2,4-dichlorophenoxy)propanoate UniProt (R)-(2,4-dichlorophenoxy)propionate ChEBI The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. 0 C6H5N3 InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) QRUDEWIWKLJBPS-UHFFFAOYSA-N 119.12400 119.04835 c1ccc2[nH]nnc2c1 CAS:95-14-7 PDBeChem:0CT PMID:23652707 PMID:23923790 Reaxys:112133 Wikipedia:Benzotriazole 1H-benzotriazole chebi_ontology 1,2,-aminozophenylene 1,2,3-triaza-1H-indene 2,3-diazaindole BTA azimidobenzene aziminobenzene benzene azimide benzisotriazole CHEBI:75331 benzotriazole CAS:95-14-7 ChemIDplus CAS:95-14-7 NIST Chemistry WebBook PMID:23652707 Europe PMC PMID:23923790 Europe PMC Reaxys:112133 Reaxys 1H-benzotriazole IUPAC 1,2,-aminozophenylene ChemIDplus 1,2,3-triaza-1H-indene ChemIDplus 2,3-diazaindole NIST_Chemistry_WebBook BTA ChEBI azimidobenzene ChemIDplus aziminobenzene ChemIDplus benzene azimide ChemIDplus benzisotriazole ChemIDplus An aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether. 0 C9H8Cl2O3 InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13) MZHCENGPTKEIGP-UHFFFAOYSA-N 235.06400 233.98505 CC(Oc1ccc(Cl)cc1Cl)C(O)=O CAS:120-36-5 KEGG:C11020 PPDB:218 2-(2,4-dichlorophenoxy)propanoic acid chebi_ontology 2-(2,4-Dichlorophenoxy)propionic acid Dichlorprop CHEBI:75370 2-(2,4-dichlorophenoxy)propanoic acid CAS:120-36-5 KEGG COMPOUND 2-(2,4-dichlorophenoxy)propanoic acid IUPAC 2-(2,4-Dichlorophenoxy)propionic acid KEGG_COMPOUND Dichlorprop KEGG_COMPOUND The R- (active) enantiomer of dichlorprop. It is used as a herbicide for killing annual and broad leaf weeds. 0 C9H8Cl2O3 InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1 MZHCENGPTKEIGP-RXMQYKEDSA-N 235.06400 233.98505 C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O CAS:15165-67-0 PMID:22961377 PMID:23312320 PMID:23509020 PPDB:219 Pesticides:dichlorprop-p Reaxys:3203101 (2R)-2-(2,4-dichlorophenoxy)propanoic acid chebi_ontology (+)-2,4-DP (+)-2-(2,4-dichlorophenoxy)propanoic acid (+)-2-(2,4-dichlorophenoxy)propionic acid (+)-dichlorprop (2R)-(+)-2-(2,4-dichlorophenoxy)propanoic acid (2R)-(+)-2-(2,4-dichlorophenoxy)propionic acid (2R)-2-(2,4-dichlorophenoxy)propionic acid (R)-(+)-2-(2,4-dichlorophenoxy)propionic acid (R)-(+)-dichlorprop (R)-2-(2,4-dichlorophenoxy)propanoic acid (R)-2-(2,4-dichlorophenoxy)propionic acid (R)-DCPP D-dichlorprop dichlorprop-P CHEBI:75373 (R)-dichlorprop CAS:15165-67-0 ChemIDplus PMID:22961377 Europe PMC PMID:23312320 Europe PMC PMID:23509020 Europe PMC Pesticides:dichlorprop-p Alan Wood's Pesticides Reaxys:3203101 Reaxys (2R)-2-(2,4-dichlorophenoxy)propanoic acid IUPAC (+)-2,4-DP ChemIDplus (+)-2-(2,4-dichlorophenoxy)propanoic acid ChEBI (+)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (+)-dichlorprop ChemIDplus (2R)-(+)-2-(2,4-dichlorophenoxy)propanoic acid ChEBI (2R)-(+)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (2R)-2-(2,4-dichlorophenoxy)propionic acid ChemIDplus (R)-(+)-2-(2,4-dichlorophenoxy)propionic acid ChemIDplus (R)-(+)-dichlorprop ChEBI (R)-2-(2,4-dichlorophenoxy)propanoic acid ChEBI (R)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (R)-DCPP ChEBI D-dichlorprop ChEBI dichlorprop-P ChEBI The S- (inactive) enantiomer of dichlorprop. 0 C9H8Cl2O3 InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1 MZHCENGPTKEIGP-YFKPBYRVSA-N 235.06400 233.98505 C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O CAS:15165-69-2 PMID:23312320 PMID:23509020 Reaxys:3203102 (2S)-2-(2,4-dichlorophenoxy)propanoic acid chebi_ontology (-)-2-(2,4-dichlorophenoxy)propanoic acid (-)-2-(2,4-dichlorophenoxy)propionic acid (-)-dichlorprop (2S)-(-)-2-(2,4-dichlorophenoxy)propanoic acid (2S)-(-)-2-(2,4-dichlorophenoxy)propionic acid (2S)-2-(2,4-dichlorophenoxy)propionic acid (S)-(-)-2-(2,4-dichlorophenoxy)propionic acid (S)-(-)-dichlorprop (S)-2-(2,4-dichlorophenoxy)propanoic acid (S)-2-(2,4-dichlorophenoxy)propionic acid (S)-DCPP CHEBI:75374 (S)-dichlorprop CAS:15165-69-2 ChemIDplus PMID:23312320 Europe PMC PMID:23509020 Europe PMC Reaxys:3203102 Reaxys (2S)-2-(2,4-dichlorophenoxy)propanoic acid IUPAC (-)-2-(2,4-dichlorophenoxy)propanoic acid ChEBI (-)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (-)-dichlorprop ChEBI (2S)-(-)-2-(2,4-dichlorophenoxy)propanoic acid ChEBI (2S)-(-)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (2S)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (S)-(-)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (S)-(-)-dichlorprop ChEBI (S)-2-(2,4-dichlorophenoxy)propanoic acid ChemIDplus (S)-2-(2,4-dichlorophenoxy)propionic acid ChEBI (S)-DCPP ChEBI A racemate comprising equimolar amounts of (R)- and (S)-dichlorprop. It is widely used as a herbicide for killing annual and broad leaf weeds. Only the R-enantiomer has herbicidal activity; the S-enantiomer is inactive. CAS:120-36-5 KEGG:C11020 PMID:12192911 PMID:15091593 PMID:21418495 PMID:22961377 PMID:23312320 PMID:23509020 PMID:8109722 PMID:9297580 Patent:GB822199 Pesticides:dichlorprop Reaxys:3203103 Wikipedia:Dichlorprop rac-2-(2,4-dichlorophenoxy)propanoic acid chebi_ontology (+-)-2,4-DP (+-)-2,4-dichlorophenoxy-alpha-propanoic acid (+-)-2,4-dichlorophenoxy-alpha-propionic acid (+-)-2-(2,4-dichlorophenoxy)propanoic acid (+-)-2-(2,4-dichlorophenoxy)propionic acid (+-)-DCPP 2,4-DP 2,4-dichlorophenoxy-alpha-propanoic acid 2,4-dichlorophenoxy-alpha-propionic acid 2-(2,4-Dp) AF 302 DCPP DCPP-dichlorprop acide 2-(2,4-dichloro-phenoxy) propionique alpha-(2,4-dichlorophenoxy)propanoic acid alpha-(2,4-dichlorophenoxy)propionic acid rac-2-(2,4-dichlorophenoxy)propanoic acid rac-2-(2,4-dichlorophenoxy)propionic acid rac-DCPP CHEBI:75375 dichlorprop CAS:120-36-5 ChemIDplus CAS:120-36-5 NIST Chemistry WebBook PMID:12192911 Europe PMC PMID:15091593 Europe PMC PMID:21418495 Europe PMC PMID:22961377 Europe PMC PMID:23312320 Europe PMC PMID:23509020 Europe PMC PMID:8109722 Europe PMC PMID:9297580 Europe PMC Pesticides:dichlorprop Alan Wood's Pesticides Reaxys:3203103 Reaxys rac-2-(2,4-dichlorophenoxy)propanoic acid IUPAC (+-)-2,4-DP ChemIDplus (+-)-2,4-dichlorophenoxy-alpha-propanoic acid ChEBI (+-)-2,4-dichlorophenoxy-alpha-propionic acid ChEBI (+-)-2-(2,4-dichlorophenoxy)propanoic acid ChemIDplus (+-)-2-(2,4-dichlorophenoxy)propionic acid ChemIDplus (+-)-DCPP ChEBI 2,4-DP ChemIDplus 2,4-dichlorophenoxy-alpha-propanoic acid ChEBI 2,4-dichlorophenoxy-alpha-propionic acid ChemIDplus 2-(2,4-Dp) ChemIDplus AF 302 ChemIDplus DCPP ChEBI DCPP-dichlorprop ChemIDplus acide 2-(2,4-dichloro-phenoxy) propionique ChemIDplus alpha-(2,4-dichlorophenoxy)propanoic acid ChEBI alpha-(2,4-dichlorophenoxy)propionic acid ChemIDplus rac-2-(2,4-dichlorophenoxy)propanoic acid ChEBI rac-2-(2,4-dichlorophenoxy)propionic acid ChEBI rac-DCPP ChEBI An inhibitor of peroxidases (EC 1.11.1.*) that inhibits the action of catalase (EC 1.11.1.6). chebi_ontology CAT inhibitor CAT inhibitors EC 1.11.1.6 (catalase) inhibitors EC 1.11.1.6 inhibitor EC 1.11.1.6 inhibitors caperase inhibitor caperase inhibitors catalase (EC 1.11.1.6) inhibitor catalase (EC 1.11.1.6) inhibitors catalase inhibitor catalase inhibitors catalase-peroxidase inhibitor catalase-peroxidase inhibitors equilase inhibitor equilase inhibitors hydrogen-peroxide:hydrogen-peroxide oxidoreductase inhibitor hydrogen-peroxide:hydrogen-peroxide oxidoreductase inhibitors optidase inhibitor optidase inhibitors CHEBI:75380 EC 1.11.1.6 (catalase) inhibitor CAT inhibitor ChEBI CAT inhibitors ChEBI EC 1.11.1.6 (catalase) inhibitors ChEBI EC 1.11.1.6 inhibitor ChEBI EC 1.11.1.6 inhibitors ChEBI caperase inhibitor ChEBI caperase inhibitors ChEBI catalase (EC 1.11.1.6) inhibitor ChEBI catalase (EC 1.11.1.6) inhibitors ChEBI catalase inhibitor ChEBI catalase inhibitors ChEBI catalase-peroxidase inhibitor ChEBI catalase-peroxidase inhibitors ChEBI equilase inhibitor ChEBI equilase inhibitors ChEBI hydrogen-peroxide:hydrogen-peroxide oxidoreductase inhibitor ChEBI hydrogen-peroxide:hydrogen-peroxide oxidoreductase inhibitors ChEBI optidase inhibitor ChEBI optidase inhibitors ChEBI An EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor that interferes with the action of any of the peroxidases (EC 1.11.1.*). Wikipedia:Peroxidases chebi_ontology EC 1.11.1 inhibitor EC 1.11.1 inhibitors EC 1.11.1.* (peroxidase) inhibitor EC 1.11.1.* (peroxidase) inhibitors EC 1.11.1.* (peroxidases) inhibitors EC 1.11.1.* inhibitor EC 1.11.1.* inhibitors inhibitor of peroxidases inhibitors of peroxidases peroxidases inhibitors CHEBI:75381 EC 1.11.1.* (peroxidases) inhibitor EC 1.11.1 inhibitor ChEBI EC 1.11.1 inhibitors ChEBI EC 1.11.1.* (peroxidase) inhibitor ChEBI EC 1.11.1.* (peroxidase) inhibitors ChEBI EC 1.11.1.* (peroxidases) inhibitors ChEBI EC 1.11.1.* inhibitor ChEBI EC 1.11.1.* inhibitors ChEBI inhibitor of peroxidases ChEBI inhibitors of peroxidases ChEBI peroxidases inhibitors ChEBI A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen. 0 C15H18N6O6S InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23) RTCOGUMHFFWOJV-UHFFFAOYSA-N 410.40500 410.10085 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1 CAS:111991-09-4 KEGG:C10949 PMID:25165819 PMID:25272750 PMID:25338136 PPDB:484 Pesticides:nicosulfuron Reaxys:7233432 2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide chebi_ontology CHEBI:7554 nicosulfuron CAS:111991-09-4 ChemIDplus CAS:111991-09-4 KEGG COMPOUND PMID:25165819 Europe PMC PMID:25272750 Europe PMC PMID:25338136 Europe PMC Pesticides:nicosulfuron Alan Wood's Pesticides Reaxys:7233432 Reaxys 2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide IUPAC An enzyme inhibitor that inhibits the action of an isomerase (EC 5.*.*.*). chebi_ontology EC 5.* (isomerase) inhibitors EC 5.* inhibitor EC 5.* inhibitors EC 5.*.*.* inhibitor EC 5.*.*.* inhibitors isomerase (EC 5.*) inhibitor isomerase (EC 5.*) inhibitors isomerase inhibitor isomerase inhibitors CHEBI:75596 EC 5.* (isomerase) inhibitor EC 5.* (isomerase) inhibitors ChEBI EC 5.* inhibitor ChEBI EC 5.* inhibitors ChEBI EC 5.*.*.* inhibitor ChEBI EC 5.*.*.* inhibitors ChEBI isomerase (EC 5.*) inhibitor ChEBI isomerase (EC 5.*) inhibitors ChEBI isomerase inhibitor ChEBI isomerase inhibitors ChEBI A ligase inhibitor that interferes with the action of a C-N bond-forming ligase (EC 6.3.*.*). chebi_ontology C--N bond-forming ligase inhibitor C--N bond-forming ligase inhibitors C-N bond-forming ligase (EC 6.3.*) inhibitor C-N bond-forming ligase (EC 6.3.*) inhibitors C-N bond-forming ligase inhibitor C-N bond-forming ligase inhibitors EC 6.3.* (C-N bond-forming ligase) inhibitorS EC 6.3.* inhibitor EC 6.3.* inhibitors EC 6.3.*.* inhibitor EC 6.3.*.* inhibitors CHEBI:75600 EC 6.3.* (C-N bond-forming ligase) inhibitor C--N bond-forming ligase inhibitor ChEBI C--N bond-forming ligase inhibitors ChEBI C-N bond-forming ligase (EC 6.3.*) inhibitor ChEBI C-N bond-forming ligase (EC 6.3.*) inhibitors ChEBI C-N bond-forming ligase inhibitor ChEBI C-N bond-forming ligase inhibitors ChEBI EC 6.3.* (C-N bond-forming ligase) inhibitorS ChEBI EC 6.3.* inhibitor ChEBI EC 6.3.* inhibitors ChEBI EC 6.3.*.* inhibitor ChEBI EC 6.3.*.* inhibitors ChEBI Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate. Wikipedia:Ligase chebi_ontology EC 6.* (ligase) inhibitors EC 6.* inhibitor EC 6.* inhibitors EC 6.*.*.* inhibitor EC 6.*.*.* inhibitors ligase inhibitor ligase inhibitors CHEBI:75603 EC 6.* (ligase) inhibitor EC 6.* (ligase) inhibitors ChEBI EC 6.* inhibitor ChEBI EC 6.* inhibitors ChEBI EC 6.*.*.* inhibitor ChEBI EC 6.*.*.* inhibitors ChEBI ligase inhibitor ChEBI ligase inhibitors ChEBI A ligase inhibitor that interferes with the action of a C-C bond-forming ligase (EC 6.4.*.*). chebi_ontology C--C bond-forming ligase inhibitor C--C bond-forming ligase inhibitors C-C bond-forming ligase (EC 6.4.*) inhibitor C-C bond-forming ligase (EC 6.4.*) inhibitorS C-C bond-forming ligase inhibitor C-C bond-forming ligase inhibitors EC 6.4.* (C-C bond-forming ligase) inhibitorS EC 6.4.* inhibitor EC 6.4.* inhibitors EC 6.4.*.* inhibitor EC 6.4.*.* inhibitors CHEBI:75604 EC 6.4.* (C-C bond-forming ligase) inhibitor C--C bond-forming ligase inhibitor ChEBI C--C bond-forming ligase inhibitors ChEBI C-C bond-forming ligase (EC 6.4.*) inhibitor ChEBI C-C bond-forming ligase (EC 6.4.*) inhibitorS ChEBI C-C bond-forming ligase inhibitor ChEBI C-C bond-forming ligase inhibitors ChEBI EC 6.4.* (C-C bond-forming ligase) inhibitorS ChEBI EC 6.4.* inhibitor ChEBI EC 6.4.* inhibitors ChEBI EC 6.4.*.* inhibitor ChEBI EC 6.4.*.* inhibitors ChEBI 0 C17H18N2O6 InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N 346.33460 346.11649 COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC Beilstein:497773 CAS:21829-25-4 DrugBank:DB01115 Drug_Central:1922 KEGG:C07266 KEGG:D00437 LINCS:LSM-4176 Wikipedia:Nifedipine Nifedipine dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chebi_ontology 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester Adalat Adapine Coracten Nifecard Nifecor Nifedipres Procardia nifedipine nifedipino nifedipinum CHEBI:7565 nifedipine Beilstein:497773 Beilstein CAS:21829-25-4 ChemIDplus CAS:21829-25-4 KEGG COMPOUND CAS:21829-25-4 NIST Chemistry WebBook Drug_Central:1922 DrugCentral Nifedipine KEGG_COMPOUND dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate IUPAC 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester ChemIDplus Adalat DrugBank Adapine DrugBank Coracten DrugBank Nifecard DrugBank Nifecor DrugBank Nifedipres DrugBank Procardia DrugBank nifedipine ChemIDplus nifedipino ChemIDplus nifedipinum ChemIDplus A racemate composed of equal amounts of (R)- and (S)-sarin. A potent and irreversible inhibitor of acetylcholinesterase that is toxic to the nervous system and is employed as a chemical warfare agent. CHEBI:9030 CAS:107-44-8 KEGG:C11764 PMID:23052190 PMID:23054072 PMID:23159884 PMID:23200942 PMID:23205740 PMID:23263315 PMID:23692952 PMID:23963476 PMID:23999806 Patent:US4108950 Patent:US4292308 Patent:WO2005051297 Reaxys:1750114 Wikipedia:Sarin rac-propan-2-yl methylphosphonofluoridate chebi_ontology (+-)-isopropyl methylphosphonofluoridate (+-)-sarin (RS)-isopropyl methylphosphonofluoridate (RS)-sarin Isopropoxymethylphosphoryl fluoride Isopropyl methanefluorophosphonate Isopropyl methylfluorophosphate Methlyfluorophosphonic acid isopropyl ester Methylphosphonofluoridic acid isopropyl ester o-Isopropyl methylphosphonofluoridate rac-isopropyl methylphosphonofluoridate racemic sarin CHEBI:75701 sarin CAS:107-44-8 ChemIDplus CAS:107-44-8 KEGG COMPOUND PMID:23052190 Europe PMC PMID:23054072 Europe PMC PMID:23159884 Europe PMC PMID:23200942 Europe PMC PMID:23205740 Europe PMC PMID:23263315 Europe PMC PMID:23692952 Europe PMC PMID:23963476 Europe PMC PMID:23999806 Europe PMC Reaxys:1750114 Reaxys rac-propan-2-yl methylphosphonofluoridate IUPAC (+-)-isopropyl methylphosphonofluoridate ChEBI (+-)-sarin ChEBI (RS)-isopropyl methylphosphonofluoridate ChEBI (RS)-sarin ChEBI Isopropoxymethylphosphoryl fluoride ChemIDplus Isopropyl methanefluorophosphonate ChemIDplus Isopropyl methylfluorophosphate ChemIDplus Methlyfluorophosphonic acid isopropyl ester ChemIDplus Methylphosphonofluoridic acid isopropyl ester ChemIDplus o-Isopropyl methylphosphonofluoridate ChemIDplus rac-isopropyl methylphosphonofluoridate IUPAC racemic sarin ChEBI The (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop. 0 C10H11ClO3 InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1 WNTGYJSOUMFZEP-SSDOTTSWSA-N 214.64600 214.03967 C[C@@H](Oc1ccc(Cl)cc1C)C(O)=O AGR:IND44300259 CAS:16484-77-8 KEGG:C18608 PMID:22959720 PMID:23361178 PPDB:431 Patent:CA2703613 Patent:WO2009053063 Patent:WO2010017929 Pesticides:mecoprop-p Reaxys:1960621 Wikipedia:Mecoprop (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid chebi_ontology (+)-Mcpp (2R)-2-(4-chloro-2-methylphenoxy)propionic acid (R)-2-(4-chloro-2-methylphenoxy)propanoic acid (R)-2-(4-chloro-o-tolyloxy)propionic acid (R)-MCPP 2M-4XP Mecoprop-P d-Mecoprop CHEBI:75703 (R)-mecoprop AGR:IND44300259 Europe PMC CAS:16484-77-8 ChemIDplus CAS:16484-77-8 KEGG COMPOUND PMID:22959720 Europe PMC PMID:23361178 Europe PMC Pesticides:mecoprop-p Alan Wood's Pesticides Reaxys:1960621 Reaxys (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid IUPAC (+)-Mcpp ChemIDplus (2R)-2-(4-chloro-2-methylphenoxy)propionic acid ChEBI (R)-2-(4-chloro-2-methylphenoxy)propanoic acid ChEBI (R)-2-(4-chloro-o-tolyloxy)propionic acid KEGG_COMPOUND (R)-MCPP ChEBI 2M-4XP ChemIDplus Mecoprop-P KEGG_COMPOUND d-Mecoprop ChemIDplus A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group. 0 C10H11ClO3 InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) WNTGYJSOUMFZEP-UHFFFAOYSA-N 214.64600 214.03967 CC(Oc1ccc(Cl)cc1C)C(O)=O CAS:93-65-2 KEGG:C18742 Reaxys:2212752 Wikipedia:Mecoprop 2-(4-chloro-2-methylphenoxy)propanoic acid chebi_ontology 2-(4-Chloro-2-tolyloxy)propionic acid 2-(4-chloro-2-methylphenoxy)propionic acid 2-(p-Chloro-o-tolyloxy)propionic acid 4-Chloro-2-methylphenoxy-alpha-propionic acid Mecoprop O-(4-chloro-2-methylphenyl)lactic acid CHEBI:75704 2-(4-chloro-2-methylphenoxy)propanoic acid CAS:93-65-2 ChemIDplus CAS:93-65-2 KEGG COMPOUND Reaxys:2212752 Reaxys 2-(4-chloro-2-methylphenoxy)propanoic acid IUPAC 2-(4-Chloro-2-tolyloxy)propionic acid ChemIDplus 2-(4-chloro-2-methylphenoxy)propionic acid ChEBI 2-(p-Chloro-o-tolyloxy)propionic acid ChemIDplus 4-Chloro-2-methylphenoxy-alpha-propionic acid ChemIDplus Mecoprop KEGG_COMPOUND O-(4-chloro-2-methylphenyl)lactic acid ChEBI A racemate comprising equimolar amounts of (R)- and (S)-mecoprop. 0 C10H11ClO3 214.646 214.03967 CAS:93-65-2 KEGG:C18742 PMID:19962221 PMID:21972828 PMID:23312320 PMID:23361178 PMID:23422308 PPDB:430 Pesticides:mecoprop Reaxys:2212752 Wikipedia:Mecoprop rac-2-(4-chloro-2-methylphenoxy)propanoic acid chebi_ontology (+-)-mecoprop (RS)-mecoprop 2-(4-Chloro-2-tolyloxy)propionic acid 2-(p-Chloro-o-tolyloxy)propionic acid 4-Chloro-2-methylphenoxy-alpha-propionic acid O-(4-chloro-2-methylphenyl)lactic acid racemic mecoprop CHEBI:75711 mecoprop CAS:93-65-2 ChemIDplus CAS:93-65-2 NIST Chemistry WebBook PMID:19962221 Europe PMC PMID:21972828 Europe PMC PMID:23312320 Europe PMC PMID:23361178 Europe PMC PMID:23422308 Europe PMC Pesticides:mecoprop Alan Wood's Pesticides Reaxys:2212752 Reaxys rac-2-(4-chloro-2-methylphenoxy)propanoic acid IUPAC (+-)-mecoprop ChEBI (RS)-mecoprop ChEBI 2-(4-Chloro-2-tolyloxy)propionic acid ChemIDplus 2-(p-Chloro-o-tolyloxy)propionic acid ChemIDplus 4-Chloro-2-methylphenoxy-alpha-propionic acid ChemIDplus O-(4-chloro-2-methylphenyl)lactic acid ChEBI racemic mecoprop ChEBI The (S)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the inactive stereoisomer of the racemic herbicide mecoprop. 0 C10H11ClO3 InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1 WNTGYJSOUMFZEP-ZETCQYMHSA-N 214.64600 214.03967 C[C@H](Oc1ccc(Cl)cc1C)C(O)=O Reaxys:3201761 chebi_ontology (S)-MCPP CHEBI:75712 (S)-mecoprop Reaxys:3201761 Reaxys (S)-MCPP ChEBI A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. 0 C16H25NO2 InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N 263.37520 263.18853 COc1cccc(c1)C1(O)CCCCC1CN(C)C CAS:2914-77-4 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol chebi_ontology CHEBI:75722 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol CAS:2914-77-4 ChemIDplus 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol IUPAC A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. 0 C16H25NO2 InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N 263.37520 263.18853 COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C CAS:123154-38-1 CAS:27203-92-5 KEGG:C07153 KEGG:D08623 LINCS:LSM-5221 Reaxys:9590387 VSDB:3008 Wikipedia:Tramadol (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol chebi_ontology (+)-tramadol (+)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol CHEBI:75725 (R,R)-tramadol CAS:123154-38-1 ChemIDplus CAS:27203-92-5 KEGG COMPOUND Reaxys:9590387 Reaxys (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol IUPAC (+)-tramadol ChEBI (+)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol ChemIDplus A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have S-configuration; the (S,S)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold lower analgesic potency than the (R,R)-enantiomer. 0 C16H25NO2 InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1 TVYLLZQTGLZFBW-GOEBONIOSA-N 263.37520 263.18853 COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)C CAS:123134-25-8 LINCS:LSM-3125 Reaxys:6635050 Wikipedia:Tramadol (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol chebi_ontology (-)-tramadol (-)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol CHEBI:75731 (S,S)-tramadol CAS:123134-25-8 ChemIDplus Reaxys:6635050 Reaxys (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol IUPAC (-)-tramadol ChEBI (-)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol ChemIDplus A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol(1+). rac-[(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium chebi_ontology (+-)-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium (+-)-tramadol(1+) CHEBI:75736 tramadol(1+) rac-[(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium IUPAC (+-)-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium ChEBI (+-)-tramadol(1+) ChEBI An organic cation obtained by protonation of the tertiary amino group of (R,R)-tramadol. +1 C16H26NO2 InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-O 264.38310 264.19581 COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1C[NH+](C)C [(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium chebi_ontology (+)-tramadol(1+) CHEBI:75737 (R,R)-tramadol(1+) [(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium IUPAC (+)-tramadol(1+) ChEBI An organic cation obtained by protonation of the tertiary amino group of (S,S)-tramadol. +1 C16H26NO2 InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m0/s1 TVYLLZQTGLZFBW-GOEBONIOSA-O 264.38310 264.19581 COc1cccc(c1)[C@]1(O)CCCC[C@H]1C[NH+](C)C [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium chebi_ontology (-)-tramadol(1+) CHEBI:75738 (S,S)-tramadol(1+) [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium IUPAC (-)-tramadol(1+) ChEBI Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms. chebi_ontology eukaryotic metabolites CHEBI:75763 eukaryotic metabolite eukaryotic metabolites ChEBI Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. CHEBI:77721 CHEBI:77743 chebi_ontology animal metabolites CHEBI:75767 animal metabolite animal metabolites ChEBI Any animal metabolite produced during a metabolic reaction in mammals. CHEBI:77464 CHEBI:77744 chebi_ontology mammalian metabolites CHEBI:75768 mammalian metabolite mammalian metabolites ChEBI Any member of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such). MetaCyc:B-vitamins PMID:22743781 PMID:23093174 PMID:23238962 PMID:23449527 PMID:23462586 PMID:23690582 Wikipedia:B_vitamin chebi_ontology B vitamins B-group vitamin B-group vitamins vitamin B CHEBI:75769 B vitamin PMID:22743781 Europe PMC PMID:23093174 Europe PMC PMID:23238962 Europe PMC PMID:23449527 Europe PMC PMID:23462586 Europe PMC PMID:23690582 Europe PMC B vitamins ChEBI B-group vitamin ChEBI B-group vitamins ChEBI vitamin B ChEBI Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). chebi_ontology Mus musculus metabolite Mus musculus metabolites mouse metabolites CHEBI:75771 mouse metabolite Mus musculus metabolite ChEBI Mus musculus metabolites ChEBI mouse metabolites ChEBI Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae). CHEBI:76949 CHEBI:76951 chebi_ontology S. cerevisiae metabolite S. cerevisiae metabolites S. cerevisiae secondary metabolite S. cerevisiae secondary metabolites Saccharomyces cerevisiae metabolites Saccharomyces cerevisiae secondary metabolites baker's yeast metabolite baker's yeast metabolites baker's yeast secondary metabolite baker's yeast secondary metabolites CHEBI:75772 Saccharomyces cerevisiae metabolite S. cerevisiae metabolite ChEBI S. cerevisiae metabolites ChEBI S. cerevisiae secondary metabolite ChEBI S. cerevisiae secondary metabolites ChEBI Saccharomyces cerevisiae metabolites ChEBI Saccharomyces cerevisiae secondary metabolites ChEBI baker's yeast metabolite ChEBI baker's yeast metabolites ChEBI baker's yeast secondary metabolite ChEBI baker's yeast secondary metabolites ChEBI A mixture containing all eight of the B vitamins (B1, B2, B3, B5, B6, B7, B9, and B12). It is used as a dietary supplement and as a component of growth media for microorganisms. Wikipedia:B_vitamin chebi_ontology vitamin B mixture CHEBI:75782 vitamin B complex vitamin B mixture ChEBI Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea. chebi_ontology prokaryotic metabolites CHEBI:75787 prokaryotic metabolite prokaryotic metabolites ChEBI A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC. 0 FeO4S InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 BAUYGSIQEAFULO-UHFFFAOYSA-L 151.90800 151.88667 [Fe++].[O-]S([O-])(=O)=O CAS:7720-78-7 MetaCyc:CPD0-2386 PPDB:1399 Reaxys:4933679 Wikipedia:Iron(II)_sulfate ferrous sulfate iron(2+) sulfate chebi_ontology Fe(II)SO4 FeSO4 ferrous sulfate ferrous sulfate (anh.) ferrous sulfate (anhydrous) ferrous sulfate anhydrous iron sulfate (1:1) iron(2+) sulfate (anh.) iron(II) sulfate iron(II) sulfate (1:1) CHEBI:75832 iron(2+) sulfate (anhydrous) iron(2+) sulfate (anhydrous) A nitrohydrocarbon that is an alkane in which one of the hydrogens has been replaced by a nitro group. 0 NO2R 46.006 45.99290 KEGG:C06058 MetaCyc:Nitroalkanes Nitroalkane nitroalkanes chebi_ontology Nitroalkan Nitroparaffin CHEBI:7587 nitroalkane Nitroalkane KEGG_COMPOUND nitroalkanes IUPAC Nitroalkan ChEBI Nitroparaffin ChEBI The (S)-enantiomer of sarin; the more potent enantiomer of racemic sarin, a nerve agent that is employed as a chemical warfare agent. 0 C4H10FO2P InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3/t8-/m0/s1 DYAHQFWOVKZOOW-QMMMGPOBSA-N 140.09320 140.04024 CC(C)O[P@@](C)(F)=O CAS:6171-94-4 Reaxys:2409983 Wikipedia:Sarin isopropyl (S)-methylphosphonofluoridate chebi_ontology (-)-sarin (S)-(-)-sarin sarin CHEBI:75871 (S)-sarin CAS:6171-94-4 ChemIDplus Reaxys:2409983 Reaxys isopropyl (S)-methylphosphonofluoridate IUPAC (-)-sarin ChEBI (S)-(-)-sarin ChEBI sarin ChEBI The (S)-enantiomer of sarin; the less active enantiomer of racemic sarin, a nerve agent that is employed as a chemical warfare agent. 0 C4H10FO2P InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3/t8-/m1/s1 DYAHQFWOVKZOOW-MRVPVSSYSA-N 140.09320 140.04024 CC(C)O[P@](C)(F)=O CAS:6171-93-3 Reaxys:6711462 Wikipedia:Sarin isopropyl (R)-methylphosphonofluoridate chebi_ontology (+)-sarin (R)-(+)-sarin CHEBI:75872 (R)-sarin CAS:6171-93-3 ChemIDplus Reaxys:6711462 Reaxys isopropyl (R)-methylphosphonofluoridate IUPAC (+)-sarin ChEBI (R)-(+)-sarin ChEBI A phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid. 0 C4H10FO2P InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3 DYAHQFWOVKZOOW-UHFFFAOYSA-N 140.09320 140.04024 CC(C)OP(C)(F)=O propan-2-yl methylphosphonofluoridate chebi_ontology CHEBI:75873 isopropyl methylphosphonofluoridate propan-2-yl methylphosphonofluoridate IUPAC A ring assembly based on a 1,4-diphenylbenzene skeleton and its substituted derivatives thereof. Wikipedia:Terphenyl chebi_ontology p-terphenyl p-terphenyls para-terphenyls CHEBI:75874 para-terphenyl p-terphenyl ChEBI p-terphenyls ChEBI para-terphenyls ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with the nitrogen of an indole. chebi_ontology 1-acylindole 1-acylindoles 1-carboacylindole 1-carboacylindoles N-acylindoles N-carboacylindole N-carboacylindoles CHEBI:75884 N-acylindole 1-acylindole ChEBI 1-acylindoles ChEBI 1-carboacylindole ChEBI 1-carboacylindoles ChEBI N-acylindoles ChEBI N-carboacylindole ChEBI N-carboacylindoles ChEBI A pyranone based on the structure of 2H-pyran-2-one and its substituted derivatives. chebi_ontology 2-oxo-2H-pyrans 2-pyrones 2H-pyran-2-ones alpha-pyrones pyran-2-ones CHEBI:75885 2-pyranones 2-oxo-2H-pyrans ChEBI 2-pyrones ChEBI 2H-pyran-2-ones ChEBI alpha-pyrones ChEBI pyran-2-ones ChEBI 0 C12H7Cl2NO3 InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H XITQUSLLOSKDTB-UHFFFAOYSA-N 284.095 282.98030 C=1(C(=CC(Cl)=CC1)Cl)OC=2C=CC(=CC2)[N+]([O-])=O CAS:1836-75-5 HMDB:HMDB0041951 KEGG:C11065 PPDB:1422 Nitrofen chebi_ontology CHEBI:7590 nitrofen CAS:1836-75-5 KEGG COMPOUND Nitrofen KEGG_COMPOUND A metal oxide that has the formula CuO. It has an ionic structure. 0 CuO InChI=1S/Cu.O/q+2;-2 KKCXRELNMOYFLS-UHFFFAOYSA-N 79.54500 78.92451 [O--].[Cu++] CAS:1344-70-3 Reaxys:8128137 Wikipedia:Copper(II)_oxide chebi_ontology Cu(II) oxide copper oxide cupric oxide CHEBI:75955 copper(II) oxide CAS:1344-70-3 ChemIDplus Reaxys:8128137 Reaxys Cu(II) oxide ChEBI copper oxide ChEBI cupric oxide ChEBI -2 C5FeN6O InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1 ASPOIVQEUUCDQT-UHFFFAOYSA-N 215.93834 215.94939 O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N CAS:15078-28-1 DrugBank:DB00325 KEGG:C07269 MolBase:329 Nitroprusside pentacyanidonitrosylferrate(2-) pentacyanidonitrosylferrate(III) chebi_ontology Nitroferricyanide [Fe(CN)5(NO)](2-) CHEBI:7596 nitroprusside CAS:15078-28-1 ChemIDplus CAS:15078-28-1 KEGG COMPOUND Nitroprusside KEGG_COMPOUND pentacyanidonitrosylferrate(2-) IUPAC pentacyanidonitrosylferrate(III) IUPAC Nitroferricyanide ChemIDplus [Fe(CN)5(NO)](2-) IUPAC An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid. 0 C2H4NO2R 74.059 74.02420 [NH3+]C([*])C([O-])=O MetaCyc:Aromatic-Amino-Acids chebi_ontology an aromatic amino-acid aromatic amino-acid zwitterions CHEBI:76042 aromatic amino-acid zwitterion MetaCyc:Aromatic-Amino-Acids SUBMITTER an aromatic amino-acid UniProt aromatic amino-acid zwitterions ChEBI Any metabolite produced by metabolism of a xenobiotic compound. chebi_ontology xenobiotic metabolites CHEBI:76206 xenobiotic metabolite xenobiotic metabolites ChEBI A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes. 0 C19H16 InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H AAAQKTZKLRYKHR-UHFFFAOYSA-N 244.33030 244.12520 c1ccc(cc1)C(c1ccccc1)c1ccccc1 CAS:519-73-3 PMID:22573270 PMID:23008002 PMID:23053116 PMID:23341885 PMID:23865508 PMID:24136473 Reaxys:1909753 Wikipedia:Triphenylmethane 1,1',1''-methanetriyltribenzene chebi_ontology 1,1',1''-methylidynetrisbenzene 1,1,1-triphenylmethane Tritane CHEBI:76212 triphenylmethane CAS:519-73-3 ChemIDplus PMID:22573270 Europe PMC PMID:23008002 Europe PMC PMID:23053116 Europe PMC PMID:23341885 Europe PMC PMID:23865508 Europe PMC PMID:24136473 Europe PMC Reaxys:1909753 Reaxys 1,1',1''-methanetriyltribenzene IUPAC 1,1',1''-methylidynetrisbenzene ChEBI 1,1,1-triphenylmethane ChEBI Tritane ChemIDplus Any benzenoid aromatic compound containing three aryl groups connected by a single C atom. PMID:21229534 PMID:21243678 PMID:21530486 PMID:21808740 PMID:22685432 PMID:22740234 PMID:22816972 PMID:23425080 PMID:23494746 PMID:23534368 PMID:23604969 PMID:23610042 chebi_ontology triarylmethanes CHEBI:76214 triarylmethane PMID:21229534 Europe PMC PMID:21243678 Europe PMC PMID:21530486 Europe PMC PMID:21808740 Europe PMC PMID:22685432 Europe PMC PMID:22740234 Europe PMC PMID:22816972 Europe PMC PMID:23425080 Europe PMC PMID:23494746 Europe PMC PMID:23534368 Europe PMC PMID:23604969 Europe PMC PMID:23610042 Europe PMC triarylmethanes ChEBI A ketone in which the carbonyl group is attached to an aromatic ring. chebi_ontology aromatic ketones aryl ketone aryl ketones CHEBI:76224 aromatic ketone aromatic ketones ChEBI aryl ketone ChEBI aryl ketones ChEBI A nitroalkane that is propane substituted at C-1 by a nitro group. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 JSZOAYXJRCEYSX-UHFFFAOYSA-N 89.09320 89.04768 CCC[N+]([O-])=O PMID:1376230 PMID:1719412 PMID:22168236 PMID:22360187 PMID:2398819 PMID:2591022 PMID:2610944 PMID:7106031 Reaxys:506236 1-nitropropane chebi_ontology 3-nitropropane nitropropane CHEBI:76261 1-nitropropane PMID:1376230 Europe PMC PMID:1719412 Europe PMC PMID:22168236 Europe PMC PMID:22360187 Europe PMC PMID:2398819 Europe PMC PMID:2591022 Europe PMC PMID:2610944 Europe PMC PMID:7106031 Europe PMC Reaxys:506236 Reaxys 1-nitropropane IUPAC 3-nitropropane ChEBI nitropropane ChEBI A member of the class of chloroethanes that is ethane in which five of the six hydrogens are replaced by chlorines. A non-flammable, high-boiling liquid (b.p. 161-162degreeC) with relative density 1.67 and an odour resembling that of chloroform, it is used as a solvent for oil and grease, in metal cleaning, and in the separation of coal from impurities. 0 C2HCl5 InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H BNIXVQGCZULYKV-UHFFFAOYSA-N 202.29400 199.85209 ClC(Cl)C(Cl)(Cl)Cl CAS:76-01-7 KEGG:C19496 MetaCyc:PENTACHLOROETHANE PMID:10476437 PMID:12778204 PMID:2576814 PMID:2916082 PMID:3473034 PMID:5171121 PMID:8637849 Reaxys:1736845 1,1,1,2,2-pentachloroethane chebi_ontology 1,1,1,2,2-pentachloro-ethane CCl3CHCl2 CHCl2CCl3 Cl3CCHCl2 EINECS 200-925-1 ethane pentachloride pentalin CHEBI:76287 pentachloroethane CAS:76-01-7 ChemIDplus CAS:76-01-7 KEGG COMPOUND CAS:76-01-7 NIST Chemistry WebBook PMID:10476437 Europe PMC PMID:12778204 Europe PMC PMID:2576814 Europe PMC PMID:2916082 Europe PMC PMID:3473034 Europe PMC PMID:5171121 Europe PMC PMID:8637849 Europe PMC Reaxys:1736845 Reaxys 1,1,1,2,2-pentachloroethane IUPAC 1,1,1,2,2-pentachloro-ethane KEGG_COMPOUND CCl3CHCl2 ChEBI CHCl2CCl3 NIST_Chemistry_WebBook Cl3CCHCl2 ChEBI EINECS 200-925-1 ChemIDplus ethane pentachloride NIST_Chemistry_WebBook pentalin ChemIDplus A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy fatty acid; major species at pH 7.3. -1 C2H3O3R 75.044 75.00822 OC*C([O-])=O chebi_ontology an omega-hydroxy fatty acid CHEBI:76307 omega-hydroxy fatty acid anion an omega-hydroxy fatty acid UniProt A nitrosamine that is piperidine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. One of the many carcinogens detected in cigarette smoke, it is found in meat, cheese and spices that have been treated with the preservative sodium nitrite. 0 C5H10N2O InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2 UWSDONTXWQOZFN-UHFFFAOYSA-N 114.14570 114.07931 O=NN1CCCCC1 CAS:100-75-4 KEGG:C19284 PMID:11272112 PMID:132034 PMID:148095 PMID:15328585 PMID:19301245 PMID:19748591 PMID:20651851 PMID:21105252 PMID:21860515 PMID:355103 PMID:7342373 Reaxys:110253 1-nitrosopiperidine chebi_ontology N-nitrosohexahydropyridine NO-Pip CHEBI:76324 N-nitrosopiperidine CAS:100-75-4 ChemIDplus CAS:100-75-4 KEGG COMPOUND CAS:100-75-4 NIST Chemistry WebBook PMID:11272112 Europe PMC PMID:132034 Europe PMC PMID:148095 Europe PMC PMID:15328585 Europe PMC PMID:19301245 Europe PMC PMID:19748591 Europe PMC PMID:20651851 Europe PMC PMID:21105252 Europe PMC PMID:21860515 Europe PMC PMID:355103 Europe PMC PMID:7342373 Europe PMC Reaxys:110253 Reaxys 1-nitrosopiperidine IUPAC N-nitrosohexahydropyridine NIST_Chemistry_WebBook NO-Pip ChemIDplus A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco. 0 C4H8N2O2 InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2 ZKXDGKXYMTYWTB-UHFFFAOYSA-N 116.11850 116.05858 O=NN1CCOCC1 CAS:59-89-2 KEGG:C19283 PMID:15328583 PMID:20781 PMID:21089935 PMID:21396674 PMID:21860513 PMID:23587048 PMID:355101 PMID:6889471 PMID:7307006 Reaxys:112139 4-nitrosomorpholine chebi_ontology N-nitrosomorpholin nitrosomorpholine CHEBI:76326 N-nitrosomorpholine CAS:59-89-2 ChemIDplus CAS:59-89-2 KEGG COMPOUND CAS:59-89-2 NIST Chemistry WebBook PMID:15328583 Europe PMC PMID:20781 Europe PMC PMID:21089935 Europe PMC PMID:21396674 Europe PMC PMID:21860513 Europe PMC PMID:23587048 Europe PMC PMID:355101 Europe PMC PMID:6889471 Europe PMC PMID:7307006 Europe PMC Reaxys:112139 Reaxys 4-nitrosomorpholine IUPAC N-nitrosomorpholin ChemIDplus nitrosomorpholine NIST_Chemistry_WebBook A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. 0 C15H17N3 InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3/b17-16+ LVTFSVIRYMXRSR-WUKNDPDISA-N 239.31560 239.14225 CN(C)c1ccc(cc1)\N=N\c1cccc(C)c1 CAS:55-80-1 PMID:105111 PMID:13844328 PMID:192081 PMID:209888 PMID:48420 PMID:828524 N,N-dimethyl-4-[(E)-(3-methylphenyl)diazenyl]aniline chebi_ontology 3',N,N-trimethyl-4-aminoazobenzene 3'-Mdab 3'-Me-Dab 3'-Methylbuttergelb 3'-Methyldimethylaminoazobenzol 3'-methyl-4-(N,N-dimethylamino)azobenzene 3'-methyl-4-(dimethylamine)azobenzene 3'-methyl-4-(dimethylamino)azobenzene 3'-methyl-4-dimethylaminoazobenzene 3'-methyl-N,N-dimethyl-4-aminoazobenzene 3'-methyl-dab 4-(N,N-dimethylamino)-3'-methylazobenzene 4-dimethylamino-3'-methylazobenzene MDAB N,N-dimethyl-4-[(3-methylphenyl)azo]benzenamine N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline N,N-dimethyl-p-(m-tolylazo)aniline m'-methyl-p-dimethylaminoazobenzene CHEBI:76329 3-methyl-4'-dimethylaminoazobenzene CAS:55-80-1 ChemIDplus CAS:55-80-1 NIST Chemistry WebBook PMID:105111 Europe PMC PMID:13844328 Europe PMC PMID:192081 Europe PMC PMID:209888 Europe PMC PMID:48420 Europe PMC PMID:828524 Europe PMC N,N-dimethyl-4-[(E)-(3-methylphenyl)diazenyl]aniline IUPAC 3',N,N-trimethyl-4-aminoazobenzene ChemIDplus 3'-Mdab ChemIDplus 3'-Me-Dab ChemIDplus 3'-Methylbuttergelb ChemIDplus 3'-Methyldimethylaminoazobenzol ChemIDplus 3'-methyl-4-(N,N-dimethylamino)azobenzene ChemIDplus 3'-methyl-4-(dimethylamine)azobenzene ChemIDplus 3'-methyl-4-(dimethylamino)azobenzene ChEBI 3'-methyl-4-dimethylaminoazobenzene ChemIDplus 3'-methyl-N,N-dimethyl-4-aminoazobenzene ChemIDplus 3'-methyl-dab ChemIDplus 4-(N,N-dimethylamino)-3'-methylazobenzene ChemIDplus 4-dimethylamino-3'-methylazobenzene ChemIDplus MDAB ChemIDplus N,N-dimethyl-4-[(3-methylphenyl)azo]benzenamine ChemIDplus N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline ChEBI N,N-dimethyl-p-(m-tolylazo)aniline ChemIDplus m'-methyl-p-dimethylaminoazobenzene ChemIDplus A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'. Wikipedia:Greenhouse_gas chebi_ontology greenhouse gases CHEBI:76413 envoPolar greenhouse gas greenhouse gases ChEBI A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans. PMID:22519407 PMID:24001847 chebi_ontology propellants CHEBI:76414 propellant PMID:22519407 Europe PMC PMID:24001847 Europe PMC propellants ChEBI Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. CHEBI:77078 chebi_ontology marine metabolites CHEBI:76507 marine metabolite marine metabolites ChEBI An anionic phospholipid having a phosphate group at sn-3 position of the glycerol backbone, and with a combination of one or two acyl groups, alkyl groups, or alkenyl groups attached at the sn-1 and sn-2 positions through ester, ether or vinyl linkages respectively. -2 C3H5O6PR2 168.042 167.98237 [O-]P([O-])(=O)OC[C@@H](CO[*])O[*] chebi_ontology Glycerophosphate glycerophosphate(2-) sn-glycero-3-phosphate(2-) CHEBI:76530 sn-glycero-3-monophosphate(2-) Glycerophosphate UniProt glycerophosphate(2-) ChEBI sn-glycero-3-phosphate(2-) ChEBI A nitroso compound that is any urea in which one of the nitrogens is substituted by a nitroso group chebi_ontology CHEBI:76551 N-nitrosoureas Any unsaturated fatty acid anion containing more than one C-C unsaturated bond. Major species at pH 7.3. chebi_ontology PUFA polyunsaturated fatty acid anions CHEBI:76567 polyunsaturated fatty acid anion PUFA SUBMITTER polyunsaturated fatty acid anions ChEBI A glycerol compound having one of three possible substituent groups - either acyl, alkyl, or alk-1-enyl - at each of the three possible positions sn-1, sn-2 or sn-3. has functional parent glycerol (CHEBI:17754), children: triglyceride (CHEBI:17855). Parent: is_a glycerolipid (CHEBI:35741) LIPID_MAPS_class:LMGL0301 chebi_ontology triradylglycerols CHEBI:76579 triradylglycerol LIPID_MAPS_class:LMGL0301 SUBMITTER triradylglycerols ChEBI Any protective agent that is able to prevent damage to the kidney. chebi_ontology nephroprotective agents CHEBI:76595 nephroprotective agent nephroprotective agents ChEBI A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers. 0 C9H4Cl6O4 InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19) DJKGDNKYTKCJKD-UHFFFAOYSA-N 388.84400 385.82407 OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl CAS:115-28-6 KEGG:C19204 PMID:12748725 PMID:1367592 PMID:15318386 PMID:18961903 PMID:21089823 PMID:21850124 PMID:2197462 PMID:22584684 PMID:2629100 PMID:7120517 PMID:8792842 Reaxys:1892213 Reaxys:8156979 Wikipedia:Chlorendic_acid 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Chlorendic acid chebi_ontology 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid Hexachloro-endo-methylenetetrahydrophthalic acid CHEBI:76603 chlorendic acid CAS:115-28-6 ChemIDplus CAS:115-28-6 KEGG COMPOUND PMID:12748725 Europe PMC PMID:1367592 Europe PMC PMID:15318386 Europe PMC PMID:18961903 Europe PMC PMID:21089823 Europe PMC PMID:21850124 Europe PMC PMID:2197462 Europe PMC PMID:22584684 Europe PMC PMID:2629100 Europe PMC PMID:7120517 Europe PMC PMID:8792842 Europe PMC Reaxys:1892213 Reaxys Reaxys:8156979 Reaxys 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid IUPAC Chlorendic acid KEGG_COMPOUND 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid ChemIDplus 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid KEGG_COMPOUND 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid ChemIDplus Hexachloro-endo-methylenetetrahydrophthalic acid ChemIDplus An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). CHEBI:66921 Wikipedia:Janus_kinase chebi_ontology ABL inhibitor ABL inhibitors ABL1 inhibitor ABL1 inhibitors ABL2 inhibitor ABL2 inhibitors ABLL inhibitor ABLL inhibitors ACK1 inhibitor ACK1 inhibitors ACK2 inhibitor ACK2 inhibitors AGMX1 inhibitor AGMX1 inhibitors ARG inhibitor ARG inhibitors ATK inhibitor ATK inhibitors ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitor ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitors BLK inhibitor BLK inhibitors BMX inhibitor BMX inhibitors BRK inhibitor BRK inhibitors BTK inhibitor BTK inhibitors BTKL inhibitor BTKL inhibitors Bmk inhibitor Bmk inhibitors Bruton's tyrosine kinase inhibitor Bruton's tyrosine kinase inhibitors Bsk inhibitor Bsk inhibitors CAKb inhibitor CAKb inhibitors CHK inhibitor CHK inhibitors CSK inhibitor CSK inhibitors CTK inhibitor CTK inhibitors CYL inhibitor CYL inhibitors Cdgip inhibitor Cdgip inhibitors EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitors EC 2.7.10.2 inhibitor EC 2.7.10.2 inhibitors EMT inhibitor EMT inhibitors ETK inhibitor ETK inhibitors FAK inhibitor FAK inhibitors FAK2 inhibitor FAK2 inhibitors FER inhibitor FER inhibitors FES inhibitor FES inhibitors FGR inhibitor FGR inhibitors FPS inhibitor FPS inhibitors FRK inhibitor FRK inhibitors FYN inhibitor FYN inhibitors Fadk inhibitor Fadk inhibitors Fert1/2 inhibitor Fert1/2 inhibitors HCK inhibitor HCK inhibitors HCTK inhibitor HCTK inhibitors HYL inhibitor HYL inhibitors IMD1 inhibitor IMD1 inhibitors ITK inhibitor ITK inhibitors IYK inhibitor IYK inhibitors JAK1 inhibitor JAK1 inhibitors JAK2 inhibitor JAK2 inhibitors JAK3 inhibitor JAK3 inhibitors JTK1 inhibitor JTK1 inhibitors JTK9 inhibitor JTK9 inhibitors Janus kinase 1 inhibitor Janus kinase 1 inhibitors Janus kinase 2 inhibitor Janus kinase 2 inhibitors Janus kinase 3 inhibitor Janus kinase 3 inhibitors Janus kinase inhibitor L-JAK inhibitor L-JAK inhibitors LCK inhibitor LCK inhibitors LSK inhibitor LSK inhibitors LYN inhibitor LYN inhibitors MATK inhibitor MATK inhibitors Ntk inhibitor Ntk inhibitors PKB inhibitor PKB inhibitors PSCTK inhibitor PSCTK inhibitors PSCTK1 inhibitor PSCTK1 inhibitors PSCTK2 inhibitor PSCTK2 inhibitors PSCTK4 inhibitor PSCTK4 inhibitors PSCTK5 inhibitor PSCTK5 inhibitors PTK2 inhibitor PTK2 inhibitors PTK2B inhibitor PTK2B inhibitors PTK6 inhibitor PTK6 inhibitors PYK2 inhibitor PYK2 inhibitors RAFTK inhibitor RAFTK inhibitors RAK inhibitor RAK inhibitors Rlk inhibitor Rlk inhibitors SLK inhibitor SLK inhibitors SRC inhibitor SRC inhibitors SRC2 inhibitor SRC2 inhibitors SRK inhibitor SRK inhibitors SRM inhibitor SRM inhibitors SRMS inhibitor SRMS inhibitors STD inhibitor STD inhibitors SYK inhibitor SYK inhibitors SYN inhibitor SYN inhibitors Sik inhibitor Sik inhibitors TEC inhibitor TEC inhibitors TNK1 inhibitor TNK1 inhibitors TXK inhibitor TXK inhibitors TYK2 inhibitor TYK2 inhibitors TYK3 inhibitor TYK3 inhibitors Tck inhibitor Tck inhibitors Tsk inhibitor Tsk inhibitors YES1 inhibitor YES1 inhibitors YK2 inhibitor YK2 inhibitors ZAP70 inhibitor ZAP70 inhibitors cytoplasmic protein tyrosine kinase inhibitor cytoplasmic protein tyrosine kinase inhibitors focal adhesion kinase inhibitor focal adhesion kinase inhibitors non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitor non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitors p60c-src protein tyrosine kinase inhibitor p60c-src protein tyrosine kinase inhibitors CHEBI:76617 EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor ABL inhibitor ChEBI ABL inhibitors ChEBI ABL1 inhibitor ChEBI ABL1 inhibitors ChEBI ABL2 inhibitor ChEBI ABL2 inhibitors ChEBI ABLL inhibitor ChEBI ABLL inhibitors ChEBI ACK1 inhibitor ChEBI ACK1 inhibitors ChEBI ACK2 inhibitor ChEBI ACK2 inhibitors ChEBI AGMX1 inhibitor ChEBI AGMX1 inhibitors ChEBI ARG inhibitor ChEBI ARG inhibitors ChEBI ATK inhibitor ChEBI ATK inhibitors ChEBI ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitor ChEBI ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitors ChEBI BLK inhibitor ChEBI BLK inhibitors ChEBI BMX inhibitor ChEBI BMX inhibitors ChEBI BRK inhibitor ChEBI BRK inhibitors ChEBI BTK inhibitor ChEBI BTK inhibitors ChEBI BTKL inhibitor ChEBI BTKL inhibitors ChEBI Bmk inhibitor ChEBI Bmk inhibitors ChEBI Bruton's tyrosine kinase inhibitor ChEBI Bruton's tyrosine kinase inhibitors ChEBI Bsk inhibitor ChEBI Bsk inhibitors ChEBI CAKb inhibitor ChEBI CAKb inhibitors ChEBI CHK inhibitor ChEBI CHK inhibitors ChEBI CSK inhibitor ChEBI CSK inhibitors ChEBI CTK inhibitor ChEBI CTK inhibitors ChEBI CYL inhibitor ChEBI CYL inhibitors ChEBI Cdgip inhibitor ChEBI Cdgip inhibitors ChEBI EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitors ChEBI EC 2.7.10.2 inhibitor ChEBI EC 2.7.10.2 inhibitors ChEBI EMT inhibitor ChEBI EMT inhibitors ChEBI ETK inhibitor ChEBI ETK inhibitors ChEBI FAK inhibitor ChEBI FAK inhibitors ChEBI FAK2 inhibitor ChEBI FAK2 inhibitors ChEBI FER inhibitor ChEBI FER inhibitors ChEBI FES inhibitor ChEBI FES inhibitors ChEBI FGR inhibitor ChEBI FGR inhibitors ChEBI FPS inhibitor ChEBI FPS inhibitors ChEBI FRK inhibitor ChEBI FRK inhibitors ChEBI FYN inhibitor ChEBI FYN inhibitors ChEBI Fadk inhibitor ChEBI Fadk inhibitors ChEBI Fert1/2 inhibitor ChEBI Fert1/2 inhibitors ChEBI HCK inhibitor ChEBI HCK inhibitors ChEBI HCTK inhibitor ChEBI HCTK inhibitors ChEBI HYL inhibitor ChEBI HYL inhibitors ChEBI IMD1 inhibitor ChEBI IMD1 inhibitors ChEBI ITK inhibitor ChEBI ITK inhibitors ChEBI IYK inhibitor ChEBI IYK inhibitors ChEBI JAK1 inhibitor ChEBI JAK1 inhibitors ChEBI JAK2 inhibitor ChEBI JAK2 inhibitors ChEBI JAK3 inhibitor ChEBI JAK3 inhibitors ChEBI JTK1 inhibitor ChEBI JTK1 inhibitors ChEBI JTK9 inhibitor ChEBI JTK9 inhibitors ChEBI Janus kinase 1 inhibitor ChEBI Janus kinase 1 inhibitors ChEBI Janus kinase 2 inhibitor ChEBI Janus kinase 2 inhibitors ChEBI Janus kinase 3 inhibitor ChEBI Janus kinase 3 inhibitors ChEBI Janus kinase inhibitor ChEBI L-JAK inhibitor ChEBI L-JAK inhibitors ChEBI LCK inhibitor ChEBI LCK inhibitors ChEBI LSK inhibitor ChEBI LSK inhibitors ChEBI LYN inhibitor ChEBI LYN inhibitors ChEBI MATK inhibitor ChEBI MATK inhibitors ChEBI Ntk inhibitor ChEBI Ntk inhibitors ChEBI PKB inhibitor ChEBI PKB inhibitors ChEBI PSCTK inhibitor ChEBI PSCTK inhibitors ChEBI PSCTK1 inhibitor ChEBI PSCTK1 inhibitors ChEBI PSCTK2 inhibitor ChEBI PSCTK2 inhibitors ChEBI PSCTK4 inhibitor ChEBI PSCTK4 inhibitors ChEBI PSCTK5 inhibitor ChEBI PSCTK5 inhibitors ChEBI PTK2 inhibitor ChEBI PTK2 inhibitors ChEBI PTK2B inhibitor ChEBI PTK2B inhibitors ChEBI PTK6 inhibitor ChEBI PTK6 inhibitors ChEBI PYK2 inhibitor ChEBI PYK2 inhibitors ChEBI RAFTK inhibitor ChEBI RAFTK inhibitors ChEBI RAK inhibitor ChEBI RAK inhibitors ChEBI Rlk inhibitor ChEBI Rlk inhibitors ChEBI SLK inhibitor ChEBI SLK inhibitors ChEBI SRC inhibitor ChEBI SRC inhibitors ChEBI SRC2 inhibitor ChEBI SRC2 inhibitors ChEBI SRK inhibitor ChEBI SRK inhibitors ChEBI SRM inhibitor ChEBI SRM inhibitors ChEBI SRMS inhibitor ChEBI SRMS inhibitors ChEBI STD inhibitor ChEBI STD inhibitors ChEBI SYK inhibitor ChEBI SYK inhibitors ChEBI SYN inhibitor ChEBI SYN inhibitors ChEBI Sik inhibitor ChEBI Sik inhibitors ChEBI TEC inhibitor ChEBI TEC inhibitors ChEBI TNK1 inhibitor ChEBI TNK1 inhibitors ChEBI TXK inhibitor ChEBI TXK inhibitors ChEBI TYK2 inhibitor ChEBI TYK2 inhibitors ChEBI TYK3 inhibitor ChEBI TYK3 inhibitors ChEBI Tck inhibitor ChEBI Tck inhibitors ChEBI Tsk inhibitor ChEBI Tsk inhibitors ChEBI YES1 inhibitor ChEBI YES1 inhibitors ChEBI YK2 inhibitor ChEBI YK2 inhibitors ChEBI ZAP70 inhibitor ChEBI ZAP70 inhibitors ChEBI cytoplasmic protein tyrosine kinase inhibitor ChEBI cytoplasmic protein tyrosine kinase inhibitors ChEBI focal adhesion kinase inhibitor ChEBI focal adhesion kinase inhibitors ChEBI non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitor ChEBI non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitors ChEBI p60c-src protein tyrosine kinase inhibitor ChEBI p60c-src protein tyrosine kinase inhibitors ChEBI A fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3. -1 C2H3O2R 59.044 59.01330 C[*]C([O-])=O chebi_ontology an omega-methyl fatty acid CHEBI:76619 omega-methyl fatty acid anion an omega-methyl fatty acid UniProt Any member of the class of lysophosphatidic acids which has a free hydroxy group at the 2-position of the glycerol moiety. 0 C4H8O7PR 199.07590 199.00076 OC(COC([*])=O)COP(O)(O)=O chebi_ontology 1-acylglycero-3-phosphate 1-acylglycero-3-phosphates 1-acylglycero-3-phosphatidic acid 1-acylglycerol-3-phosphate 1-acylglycerol-3-phosphates CHEBI:76629 2-lysophosphatidic acid 1-acylglycero-3-phosphate ChEBI 1-acylglycero-3-phosphates ChEBI 1-acylglycero-3-phosphatidic acid UniProt 1-acylglycerol-3-phosphate ChEBI 1-acylglycerol-3-phosphates ChEBI A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*). chebi_ontology C1-transferase (EC 2.1.*) inhibitor C1-transferase (EC 2.1.*) inhibitors C1-transferase inhibitor C1-transferase inhibitors EC 2.1.* (C1-transferase) inhibitors EC 2.1.* inhibitor EC 2.1.* inhibitors one-carbon-containing group transferase inhibitor one-carbon-containing group transferase inhibitors CHEBI:76655 EC 2.1.* (C1-transferase) inhibitor C1-transferase (EC 2.1.*) inhibitor ChEBI C1-transferase (EC 2.1.*) inhibitors ChEBI C1-transferase inhibitor ChEBI C1-transferase inhibitors ChEBI EC 2.1.* (C1-transferase) inhibitors ChEBI EC 2.1.* inhibitor ChEBI EC 2.1.* inhibitors ChEBI one-carbon-containing group transferase inhibitor ChEBI one-carbon-containing group transferase inhibitors ChEBI A transferase inhibitor interfering with the action of any transferase that transfers an aldehyde or ketone group (EC 2.2.*.*). chebi_ontology EC 2.2.* (aldehyde or ketone transferase) inhibitors EC 2.2.* inhibitor EC 2.2.* inhibitors aldehyde or ketone transferase inhibitor aldehyde or ketone transferase inhibitors aldehyde/ketone transferase (EC 2.2.*) inhibitor aldehyde/ketone transferase (EC 2.2.*) inhibitors aldehyde/ketone transferase inhibitor aldehyde/ketone transferase inhibitors CHEBI:76660 EC 2.2.* (aldehyde or ketone transferase) inhibitor EC 2.2.* (aldehyde or ketone transferase) inhibitors ChEBI EC 2.2.* inhibitor ChEBI EC 2.2.* inhibitors ChEBI aldehyde or ketone transferase inhibitor ChEBI aldehyde or ketone transferase inhibitors ChEBI aldehyde/ketone transferase (EC 2.2.*) inhibitor ChEBI aldehyde/ketone transferase (EC 2.2.*) inhibitors ChEBI aldehyde/ketone transferase inhibitor ChEBI aldehyde/ketone transferase inhibitors ChEBI A transferase inhibitor that interferes with the action of an acyltransferase (EC 2.3.*.*). chebi_ontology EC 2.3.* (acyltransferase) inhibitors EC 2.3.* inhibitor EC 2.3.* inhibitors acyltransferase inhibitor acyltransferase inhibitors CHEBI:76661 EC 2.3.* (acyltransferase) inhibitor EC 2.3.* (acyltransferase) inhibitors ChEBI EC 2.3.* inhibitor ChEBI EC 2.3.* inhibitors ChEBI acyltransferase inhibitor ChEBI acyltransferase inhibitors ChEBI A transferase inhibitor inhibiting the action of a glycosyltransferase (EC 2.4.*.*). chebi_ontology EC 2.4.* (glycosyltransferase) inhibitors EC 2.4.* inhibitor EC 2.4.* inhibitors glycosyltransferase (EC 2.4.*) inhibitor glycosyltransferase (EC 2.4.*) inhibitors glycosyltransferase inhibitor glycosyltransferase inhibitors CHEBI:76662 EC 2.4.* (glycosyltransferase) inhibitor EC 2.4.* (glycosyltransferase) inhibitors ChEBI EC 2.4.* inhibitor ChEBI EC 2.4.* inhibitors ChEBI glycosyltransferase (EC 2.4.*) inhibitor ChEBI glycosyltransferase (EC 2.4.*) inhibitors ChEBI glycosyltransferase inhibitor ChEBI glycosyltransferase inhibitors ChEBI A transferase inhibitor that inhibits the transfer of an alkyl (other than methyl) or aryl group (EC 2.5.1.*). chebi_ontology EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors EC 2.5.1.* inhibitor EC 2.5.1.* inhibitors alkyl/aryl (non-methyl) transferase inhibitor alkyl/aryl (non-methyl) transferase inhibitors non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors non-methyl alkyl/aryl transferase inhibitor non-methyl alkyl/aryl transferase inhibitors non-methyl-alkyl or aryl transferase inhibitor non-methyl-alkyl or aryl transferase inhibitors CHEBI:76663 EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors ChEBI EC 2.5.1.* inhibitor ChEBI EC 2.5.1.* inhibitors ChEBI alkyl/aryl (non-methyl) transferase inhibitor ChEBI alkyl/aryl (non-methyl) transferase inhibitors ChEBI non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor ChEBI non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors ChEBI non-methyl alkyl/aryl transferase inhibitor ChEBI non-methyl alkyl/aryl transferase inhibitors ChEBI non-methyl-alkyl or aryl transferase inhibitor ChEBI non-methyl-alkyl or aryl transferase inhibitors ChEBI A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*). chebi_ontology EC 2.7.* (P-containing group transferase) inhibitors EC 2.7.* (phosphorus-containing group transferase) inhibitor EC 2.7.* (phosphorus-containing group transferase) inhibitors EC 2.7.* inhibitor EC 2.7.* inhibitors phosphorus-containing group transferase (EC 2.7.*) inhibitor phosphorus-containing group transferase (EC 2.7.*) inhibitors phosphorus-containing group transferase inhibitor phosphorus-containing group transferase inhibitors CHEBI:76668 EC 2.7.* (P-containing group transferase) inhibitor EC 2.7.* (P-containing group transferase) inhibitors ChEBI EC 2.7.* (phosphorus-containing group transferase) inhibitor ChEBI EC 2.7.* (phosphorus-containing group transferase) inhibitors ChEBI EC 2.7.* inhibitor ChEBI EC 2.7.* inhibitors ChEBI phosphorus-containing group transferase (EC 2.7.*) inhibitor ChEBI phosphorus-containing group transferase (EC 2.7.*) inhibitors ChEBI phosphorus-containing group transferase inhibitor ChEBI phosphorus-containing group transferase inhibitors ChEBI An isomerase inhibitor that interferes with the action of an intramolecular transferase (EC 5.4.*.*). chebi_ontology EC 5.4.* (intramolecular transferase) inhibitors intramolecular transferase (EC 5.4.*) inhibitor intramolecular transferase (EC 5.4.*) inhibitors intramolecular transferase inhibitor intramolecular transferase inhibitors CHEBI:76695 EC 5.4.* (intramolecular transferase) inhibitor EC 5.4.* (intramolecular transferase) inhibitors ChEBI intramolecular transferase (EC 5.4.*) inhibitor ChEBI intramolecular transferase (EC 5.4.*) inhibitors ChEBI intramolecular transferase inhibitor ChEBI intramolecular transferase inhibitors ChEBI An isomerase inhibitor that interferes with the action of any member of the group of 'other isomerases' (EC 5.99.*.*). chebi_ontology EC 5.99.* (miscellaneous isomerases) inhibitor EC 5.99.* (miscellaneous isomerases) inhibitors EC 5.99.* (other isomerase) inhibitor EC 5.99.* (other isomerase) inhibitors EC 5.99.* (other isomerases) inhibitors EC 5.99.* inhibitor EC 5.99.* inhibitors CHEBI:76697 EC 5.99.* (other isomerases) inhibitor EC 5.99.* (miscellaneous isomerases) inhibitor ChEBI EC 5.99.* (miscellaneous isomerases) inhibitors ChEBI EC 5.99.* (other isomerase) inhibitor ChEBI EC 5.99.* (other isomerase) inhibitors ChEBI EC 5.99.* (other isomerases) inhibitors ChEBI EC 5.99.* inhibitor ChEBI EC 5.99.* inhibitors ChEBI An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation. Wikipedia:Lyase chebi_ontology EC 4.* (lyase) inhibitors EC 4.* inhibitor EC 4.* inhibitors EC 4.*.*.* inhibitor EC 4.*.*.* inhibitors lyase (EC 4.*) inhibitor lyase (EC 4.*) inhibitorS lyase inhibitor lyase inhibitors CHEBI:76710 EC 4.* (lyase) inhibitor EC 4.* (lyase) inhibitors ChEBI EC 4.* inhibitor ChEBI EC 4.* inhibitors ChEBI EC 4.*.*.* inhibitor ChEBI EC 4.*.*.* inhibitors ChEBI lyase (EC 4.*) inhibitor ChEBI lyase (EC 4.*) inhibitorS ChEBI lyase inhibitor ChEBI lyase inhibitors ChEBI A lyase inhibitor which inhibits the action of a C-C lyase (EC 4.1.*.*). chebi_ontology C-C lyase (EC 4.1.*) inhibitor C-C lyase (EC 4.1.*) inhibitors C-C lyase inhibitor C-C lyase inhibitors EC 4.1.* (C-C lyase) inhibitors EC 4.1.* inhibitor EC 4.1.* inhibitors CHEBI:76711 EC 4.1.* (C-C lyase) inhibitor C-C lyase (EC 4.1.*) inhibitor ChEBI C-C lyase (EC 4.1.*) inhibitors ChEBI C-C lyase inhibitor ChEBI C-C lyase inhibitors ChEBI EC 4.1.* (C-C lyase) inhibitors ChEBI EC 4.1.* inhibitor ChEBI EC 4.1.* inhibitors ChEBI A lyase inhibitor which inhibits the action of a C-O lyase (EC 4.2.*.*). chebi_ontology C-O lyase (EC 4.2.*) inhibitor C-O lyase (EC 4.2.*) inhibitors C-O lyase inhibitor C-O lyase inhibitors EC 4.2.* (C-O lyase) inhibitors EC 4.2.* inhibitor EC 4.2.* inhibitors CHEBI:76712 EC 4.2.* (C-O lyase) inhibitor C-O lyase (EC 4.2.*) inhibitor ChEBI C-O lyase (EC 4.2.*) inhibitors ChEBI C-O lyase inhibitor ChEBI C-O lyase inhibitors ChEBI EC 4.2.* (C-O lyase) inhibitors ChEBI EC 4.2.* inhibitor ChEBI EC 4.2.* inhibitors ChEBI A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*). chebi_ontology C-N lyase (EC 4.3.*) inhibitor C-N lyase (EC 4.3.*) inhibitors C-N lyase inhibitor C-N lyase inhibitors EC 4.3.* (C-N lyase) inhibitors EC 4.3.* inhibitor EC 4.3.* inhibitors CHEBI:76713 EC 4.3.* (C-N lyase) inhibitor C-N lyase (EC 4.3.*) inhibitor ChEBI C-N lyase (EC 4.3.*) inhibitors ChEBI C-N lyase inhibitor ChEBI C-N lyase inhibitors ChEBI EC 4.3.* (C-N lyase) inhibitors ChEBI EC 4.3.* inhibitor ChEBI EC 4.3.* inhibitors ChEBI A lyase inhibitor which inhibits the action of a P-O lyase (EC 4.6.*.*). chebi_ontology EC 4.6.* (P-O lyase) inhibitors EC 4.6.* inhibitor EC 4.6.* inhibitors P-O lyase (EC 4.6.*) inhibitor P-O lyase (EC 4.6.*) inhibitors P-O lyase inhibitor P-O lyase inhibitors CHEBI:76716 EC 4.6.* (P-O lyase) inhibitor EC 4.6.* (P-O lyase) inhibitors ChEBI EC 4.6.* inhibitor ChEBI EC 4.6.* inhibitors ChEBI P-O lyase (EC 4.6.*) inhibitor ChEBI P-O lyase (EC 4.6.*) inhibitors ChEBI P-O lyase inhibitor ChEBI P-O lyase inhibitors ChEBI An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*). Wikipedia:Oxidoreductase chebi_ontology EC 1.* (oxidoreductase) inhibitors EC 1.* inhibitor EC 1.* inhibitors oxidoreductase (EC 1.*) inhibitor oxidoreductase (EC 1.*) inhibitors oxidoreductase inhibitor oxidoreductase inhibitors CHEBI:76725 EC 1.* (oxidoreductase) inhibitor EC 1.* (oxidoreductase) inhibitors ChEBI EC 1.* inhibitor ChEBI EC 1.* inhibitors ChEBI oxidoreductase (EC 1.*) inhibitor ChEBI oxidoreductase (EC 1.*) inhibitors ChEBI oxidoreductase inhibitor ChEBI oxidoreductase inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-OH group of donors (EC 1.1.*.*). chebi_ontology EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors EC 1.1.* inhibitor EC 1.1.* inhibitors inhibitor of oxidoreductase acting on CH-OH group of donor inhibitor of oxidoreductase acting on CH-OH group of donors inhibitors of oxidoreductase acting on CH-OH group of donor inhibitors of oxidoreductase acting on CH-OH group of donors oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors oxidoreductase acting on donor CH-OH group inhibitor oxidoreductase acting on donor CH-OH group inhibitors CHEBI:76726 EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors ChEBI EC 1.1.* inhibitor ChEBI EC 1.1.* inhibitors ChEBI inhibitor of oxidoreductase acting on CH-OH group of donor ChEBI inhibitor of oxidoreductase acting on CH-OH group of donors ChEBI inhibitors of oxidoreductase acting on CH-OH group of donor ChEBI inhibitors of oxidoreductase acting on CH-OH group of donors ChEBI oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor ChEBI oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors ChEBI oxidoreductase acting on donor CH-OH group inhibitor ChEBI oxidoreductase acting on donor CH-OH group inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the aldehyde or oxo group of donors (EC 1.2.*.*). chebi_ontology EC 1.2.* (oxidoreductase acting on donor aldehyde or oxo group) inhibitor EC 1.2.* (oxidoreductase acting on donor aldehyde or oxo group) inhibitors EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitors EC 1.2.* inhibitor EC 1.2.* inhibitors inhibitor of oxidoreductase acting on aldehyde or oxo group of donor inhibitor of oxidoreductase acting on aldehyde or oxo group of donors inhibitor of oxidoreductase acting on aldehyde/oxo group of donor inhibitor of oxidoreductase acting on aldehyde/oxo group of donors inhibitors of oxidoreductase acting on aldehyde or oxo group of donor inhibitors of oxidoreductase acting on aldehyde or oxo group of donors inhibitors of oxidoreductase acting on aldehyde/oxo group of donor inhibitors of oxidoreductase acting on aldehyde/oxo group of donors oxidoreductase acting on donor aldehyde or oxo group (EC 1.2.*) inhibitor oxidoreductase acting on donor aldehyde or oxo group (EC 1.2.*) inhibitors oxidoreductase acting on donor aldehyde or oxo group inhibitor oxidoreductase acting on donor aldehyde or oxo group inhibitors oxidoreductase acting on donor aldehyde/oxo group (EC 1.2.*) inhibitor oxidoreductase acting on donor aldehyde/oxo group (EC 1.2.*) inhibitors oxidoreductase acting on donor aldehyde/oxo group inhibitor oxidoreductase acting on donor aldehyde/oxo group inhibitors CHEBI:76727 EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor EC 1.2.* (oxidoreductase acting on donor aldehyde or oxo group) inhibitor ChEBI EC 1.2.* (oxidoreductase acting on donor aldehyde or oxo group) inhibitors ChEBI EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitors ChEBI EC 1.2.* inhibitor ChEBI EC 1.2.* inhibitors ChEBI inhibitor of oxidoreductase acting on aldehyde or oxo group of donor ChEBI inhibitor of oxidoreductase acting on aldehyde or oxo group of donors ChEBI inhibitor of oxidoreductase acting on aldehyde/oxo group of donor ChEBI inhibitor of oxidoreductase acting on aldehyde/oxo group of donors ChEBI inhibitors of oxidoreductase acting on aldehyde or oxo group of donor ChEBI inhibitors of oxidoreductase acting on aldehyde or oxo group of donors ChEBI inhibitors of oxidoreductase acting on aldehyde/oxo group of donor ChEBI inhibitors of oxidoreductase acting on aldehyde/oxo group of donors ChEBI oxidoreductase acting on donor aldehyde or oxo group (EC 1.2.*) inhibitor ChEBI oxidoreductase acting on donor aldehyde or oxo group (EC 1.2.*) inhibitors ChEBI oxidoreductase acting on donor aldehyde or oxo group inhibitor ChEBI oxidoreductase acting on donor aldehyde or oxo group inhibitors ChEBI oxidoreductase acting on donor aldehyde/oxo group (EC 1.2.*) inhibitor ChEBI oxidoreductase acting on donor aldehyde/oxo group (EC 1.2.*) inhibitors ChEBI oxidoreductase acting on donor aldehyde/oxo group inhibitor ChEBI oxidoreductase acting on donor aldehyde/oxo group inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-CH group of donors (EC 1.3.*.*). chebi_ontology EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitors EC 1.3.* inhibitor EC 1.3.* inhibitors inhibitor of oxidoreductase acting on CH-CH group of donor inhibitor of oxidoreductase acting on CH-CH group of donors inhibitors of oxidoreductase acting on CH-CH group of donor inhibitors of oxidoreductase acting on CH-CH group of donors oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitor oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitors oxidoreductase acting on donor CH-CH group inhibitor oxidoreductase acting on donor CH-CH group inhibitors CHEBI:76729 EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitors ChEBI EC 1.3.* inhibitor ChEBI EC 1.3.* inhibitors ChEBI inhibitor of oxidoreductase acting on CH-CH group of donor ChEBI inhibitor of oxidoreductase acting on CH-CH group of donors ChEBI inhibitors of oxidoreductase acting on CH-CH group of donor ChEBI inhibitors of oxidoreductase acting on CH-CH group of donors ChEBI oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitor ChEBI oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitors ChEBI oxidoreductase acting on donor CH-CH group inhibitor ChEBI oxidoreductase acting on donor CH-CH group inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH2 group of donors (EC 1.4.*.*). EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor chebi_ontology EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors EC 1.4.* inhibitor EC 1.4.* inhibitors inhibitor of oxidoreductase acting on CH-NH2 group of donor inhibitor of oxidoreductase acting on CH-NH2 group of donors inhibitors of oxidoreductase acting on CH-NH2 group of donor inhibitors of oxidoreductase acting on CH-NH2 group of donors oxidoreductase acting on CH-NH2 group of donor inhibitor oxidoreductase acting on CH-NH2 group of donor inhibitors oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors CHEBI:76730 EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor ChEBI EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors ChEBI EC 1.4.* inhibitor ChEBI EC 1.4.* inhibitors ChEBI inhibitor of oxidoreductase acting on CH-NH2 group of donor ChEBI inhibitor of oxidoreductase acting on CH-NH2 group of donors ChEBI inhibitors of oxidoreductase acting on CH-NH2 group of donor ChEBI inhibitors of oxidoreductase acting on CH-NH2 group of donors ChEBI oxidoreductase acting on CH-NH2 group of donor inhibitor ChEBI oxidoreductase acting on CH-NH2 group of donor inhibitors ChEBI oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor ChEBI oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH group of donors (EC 1.5.*.*). chebi_ontology EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitors EC 1.5.* inhibitor EC 1.5.* inhibitors inhibitor of oxidoreductase acting on CH-NH group of donor inhibitor of oxidoreductase acting on CH-NH group of donors inhibitors of oxidoreductase acting on CH-NH group of donor inhibitors of oxidoreductase acting on CH-NH group of donors oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitor oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitors CHEBI:76731 EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitors ChEBI EC 1.5.* inhibitor ChEBI EC 1.5.* inhibitors ChEBI inhibitor of oxidoreductase acting on CH-NH group of donor ChEBI inhibitor of oxidoreductase acting on CH-NH group of donors ChEBI inhibitors of oxidoreductase acting on CH-NH group of donor ChEBI inhibitors of oxidoreductase acting on CH-NH group of donors ChEBI oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitor ChEBI oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on NADH or NADPH (EC 1.6.*.*). chebi_ontology EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitors inhibitor of oxidoreductase acting on NADH or NADPH inhibitor of oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitors of oxidoreductase acting on NADH or NADPH inhibitors of oxidoreductase acting on NADH or NADPH (EC 1.6.*) oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitor oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitors oxidoreductase acting on NADH or NADPH inhibitor oxidoreductase acting on NADH or NADPH inhibitors CHEBI:76733 EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitors ChEBI inhibitor of oxidoreductase acting on NADH or NADPH ChEBI inhibitor of oxidoreductase acting on NADH or NADPH (EC 1.6.*) ChEBI inhibitors of oxidoreductase acting on NADH or NADPH ChEBI inhibitors of oxidoreductase acting on NADH or NADPH (EC 1.6.*) ChEBI oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitor ChEBI oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitors ChEBI oxidoreductase acting on NADH or NADPH inhibitor ChEBI oxidoreductase acting on NADH or NADPH inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase of class EC 1.8.*.* (acting on a sulfur group of donors). chebi_ontology EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitors EC 1.8.* inhibitor EC 1.8.* inhibitors oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitor oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitors CHEBI:76735 EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitors ChEBI EC 1.8.* inhibitor ChEBI EC 1.8.* inhibitors ChEBI oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitor ChEBI oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on a heme group of donors (EC 1.9.*.*). chebi_ontology EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitor EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitors EC 1.9.* (oxidoreductase acting on donor heme group) inhibitors EC 1.9.* inhibitor EC 1.9.* inhibitors oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitor oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitors CHEBI:76736 EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitor ChEBI EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitors ChEBI EC 1.9.* (oxidoreductase acting on donor heme group) inhibitors ChEBI EC 1.9.* inhibitor ChEBI EC 1.9.* inhibitors ChEBI oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitor ChEBI oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on diphenols and related substances as donors (EC 1.10.*.*). chebi_ontology EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors EC 1.10.* inhibitor EC 1.10.* inhibitors inhibitor of an oxidoreductase acting on diphenols and related substances as donor inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) inhibitor of an oxidoreductase acting on diphenols and related substances as donors inhibitors of an oxidoreductase acting on diphenols and related substances as donor inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) inhibitors of an oxidoreductase acting on diphenols and related substances as donors CHEBI:76737 EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors ChEBI EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor ChEBI EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors ChEBI EC 1.10.* inhibitor ChEBI EC 1.10.* inhibitors ChEBI inhibitor of an oxidoreductase acting on diphenols and related substances as donor ChEBI inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) ChEBI inhibitor of an oxidoreductase acting on diphenols and related substances as donors ChEBI inhibitors of an oxidoreductase acting on diphenols and related substances as donor ChEBI inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) ChEBI inhibitors of an oxidoreductase acting on diphenols and related substances as donors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on peroxide as donors (EC 1.11.*.*). chebi_ontology EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitors EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitor EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitors EC 1.11.* inhibitor EC 1.11.* inhibitors oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitor oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitors oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitor oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitors CHEBI:76738 EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitors ChEBI EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitor ChEBI EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitors ChEBI EC 1.11.* inhibitor ChEBI EC 1.11.* inhibitors ChEBI oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitor ChEBI oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitors ChEBI oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitor ChEBI oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases), EC 1.13.*.*. chebi_ontology EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitors EC 1.13.* inhibitor EC 1.13.* inhibitors oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitor oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitors oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitor oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitors CHEBI:76740 EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitors ChEBI EC 1.13.* inhibitor ChEBI EC 1.13.* inhibitors ChEBI oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitor ChEBI oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitors ChEBI oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitor ChEBI oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on hydrogen as donors (EC 1.14.*.*). chebi_ontology EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors EC 1.14.* inhibitor EC 1.14.* inhibitors inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors CHEBI:76741 EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors ChEBI EC 1.14.* inhibitor ChEBI EC 1.14.* inhibitors ChEBI inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) ChEBI inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) ChEBI inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) ChEBI inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) ChEBI oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor ChEBI oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors ChEBI oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor ChEBI oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on CH or CH2 (EC 1.17.*.*). chebi_ontology EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors EC 1.17.* inhibitor EC 1.17.* inhibitors oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors oxidoreductase acting on CH or CH2 inhibitor oxidoreductase acting on CH or CH2 inhibitors CHEBI:76744 EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors ChEBI EC 1.17.* inhibitor ChEBI EC 1.17.* inhibitors ChEBI oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor ChEBI oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors ChEBI oxidoreductase acting on CH or CH2 inhibitor ChEBI oxidoreductase acting on CH or CH2 inhibitors ChEBI Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*). Wikipedia:Hydrolase chebi_ontology EC 3.* (hydrolase) inhibitors EC 3.* inhibitor EC 3.* inhibitors EC 3.*.*.* inhibitor EC 3.*.*.* inhibitors hydrolase (EC 3.*) inhibitor hydrolase (EC 3.*) inhibitors hydrolase inhibitor hydrolase inhibitors CHEBI:76759 EC 3.* (hydrolase) inhibitor EC 3.* (hydrolase) inhibitors ChEBI EC 3.* inhibitor ChEBI EC 3.* inhibitors ChEBI EC 3.*.*.* inhibitor ChEBI EC 3.*.*.* inhibitors ChEBI hydrolase (EC 3.*) inhibitor ChEBI hydrolase (EC 3.*) inhibitors ChEBI hydrolase inhibitor ChEBI hydrolase inhibitors ChEBI A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*). chebi_ontology EC 3.1.* (ester hydrolase) inhibitors EC 3.1.* inhibitor EC 3.1.* inhibitors ester hydrolase (EC 3.1.*) inhibitor ester hydrolase (EC 3.1.*) inhibitors ester hydrolase inhibitor ester hydrolase inhibitors CHEBI:76760 EC 3.1.* (ester hydrolase) inhibitor EC 3.1.* (ester hydrolase) inhibitors ChEBI EC 3.1.* inhibitor ChEBI EC 3.1.* inhibitors ChEBI ester hydrolase (EC 3.1.*) inhibitor ChEBI ester hydrolase (EC 3.1.*) inhibitors ChEBI ester hydrolase inhibitor ChEBI ester hydrolase inhibitors ChEBI A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*). chebi_ontology EC 3.2.* (glycosylase) inhibitors EC 3.2.* inhibitor EC 3.2.* inhibitors glycosylase (EC 3.2.*) inhibitor glycosylase (EC 3.2.*) inhibitors glycosylase inhibitor glycosylase inhibitors CHEBI:76761 EC 3.2.* (glycosylase) inhibitor EC 3.2.* (glycosylase) inhibitors ChEBI EC 3.2.* inhibitor ChEBI EC 3.2.* inhibitors ChEBI glycosylase (EC 3.2.*) inhibitor ChEBI glycosylase (EC 3.2.*) inhibitors ChEBI glycosylase inhibitor ChEBI glycosylase inhibitors ChEBI Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*). chebi_ontology EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors EC 3.5.* inhibitor EC 3.5.* inhibitors CHEBI:76764 EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor ChEBI EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors ChEBI EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor ChEBI EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors ChEBI EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors ChEBI EC 3.5.* inhibitor ChEBI EC 3.5.* inhibitors ChEBI An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*). chebi_ontology EC 3.1.1.* (carboxylic ester hydrolase) inhibitors EC 3.1.1.* inhibitor EC 3.1.1.* inhibitors carboxylic ester hydrolase (EC 3.1.1.*) inhibitor carboxylic ester hydrolase (EC 3.1.1.*) inhibitors CHEBI:76773 EC 3.1.1.* (carboxylic ester hydrolase) inhibitor EC 3.1.1.* (carboxylic ester hydrolase) inhibitors ChEBI EC 3.1.1.* inhibitor ChEBI EC 3.1.1.* inhibitors ChEBI carboxylic ester hydrolase (EC 3.1.1.*) inhibitor ChEBI carboxylic ester hydrolase (EC 3.1.1.*) inhibitors ChEBI An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any phosphoric monoester hydrolase (EC 3.1.3.*). chebi_ontology EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors EC 3.1.3.* inhibitor EC 3.1.3.* inhibitors inhibitor of phosphoric monoester hydrolase inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors of phosphoric monoester hydrolase inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*) phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors phosphoric monoester hydrolase inhibitor phosphoric monoester hydrolase inhibitors CHEBI:76775 EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors ChEBI EC 3.1.3.* inhibitor ChEBI EC 3.1.3.* inhibitors ChEBI inhibitor of phosphoric monoester hydrolase ChEBI inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*) ChEBI inhibitors of phosphoric monoester hydrolase ChEBI inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*) ChEBI phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor ChEBI phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors ChEBI phosphoric monoester hydrolase inhibitor ChEBI phosphoric monoester hydrolase inhibitors ChEBI Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26). chebi_ontology EC 3.4.21.26 (prolyl oligopeptidase) inhibitors EC 3.4.21.26 inhibitor EC 3.4.21.26 inhibitors endoprolylpeptidase inhibitor endoprolylpeptidase inhibitors post-proline cleaving enzyme inhibitor post-proline cleaving enzyme inhibitors post-proline endopeptidase inhibitor post-proline endopeptidase inhibitors proline endopeptidase inhibitor proline endopeptidase inhibitors proline-specific endopeptidase inhibitor proline-specific endopeptidase inhibitors prolyl endopeptidase inhibitor prolyl endopeptidase inhibitors prolyl oligopeptidase (EC 3.4.21.26) inhibitor prolyl oligopeptidase (EC 3.4.21.26) inhibitors prolyl oligopeptidase inhibitor CHEBI:76779 EC 3.4.21.26 (prolyl oligopeptidase) inhibitor EC 3.4.21.26 (prolyl oligopeptidase) inhibitors ChEBI EC 3.4.21.26 inhibitor ChEBI EC 3.4.21.26 inhibitors ChEBI endoprolylpeptidase inhibitor ChEBI endoprolylpeptidase inhibitors ChEBI post-proline cleaving enzyme inhibitor ChEBI post-proline cleaving enzyme inhibitors ChEBI post-proline endopeptidase inhibitor ChEBI post-proline endopeptidase inhibitors ChEBI proline endopeptidase inhibitor ChEBI proline endopeptidase inhibitors ChEBI proline-specific endopeptidase inhibitor ChEBI proline-specific endopeptidase inhibitors ChEBI prolyl endopeptidase inhibitor ChEBI prolyl endopeptidase inhibitors ChEBI prolyl oligopeptidase (EC 3.4.21.26) inhibitor ChEBI prolyl oligopeptidase (EC 3.4.21.26) inhibitors ChEBI prolyl oligopeptidase inhibitor ChEBI Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of a peptidyl dipeptidase (EC 3.4.15.*). chebi_ontology EC 3.4.15.* (peptidyl-dipeptidase) inhibitors EC 3.4.15.* inhibitor EC 3.4.15.* inhibitors inhibitor of peptidyl-dipeptidases inhibitor of peptidyl-dipeptidases (EC 3.4.15.*) inhibitors of peptidyl-dipeptidases inhibitors of peptidyl-dipeptidases (EC 3.4.15.*) peptidyl-dipeptidase (EC 3.4.15.*) inhibitor peptidyl-dipeptidase (EC 3.4.15.*) inhibitors peptidyl-dipeptidase inhibitor peptidyl-dipeptidase inhibitors CHEBI:76782 EC 3.4.15.* (peptidyl-dipeptidase) inhibitor EC 3.4.15.* (peptidyl-dipeptidase) inhibitors ChEBI EC 3.4.15.* inhibitor ChEBI EC 3.4.15.* inhibitors ChEBI inhibitor of peptidyl-dipeptidases ChEBI inhibitor of peptidyl-dipeptidases (EC 3.4.15.*) ChEBI inhibitors of peptidyl-dipeptidases ChEBI inhibitors of peptidyl-dipeptidases (EC 3.4.15.*) ChEBI peptidyl-dipeptidase (EC 3.4.15.*) inhibitor ChEBI peptidyl-dipeptidase (EC 3.4.15.*) inhibitors ChEBI peptidyl-dipeptidase inhibitor ChEBI peptidyl-dipeptidase inhibitors ChEBI An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes wtih the action of any aminopeptidase (EC 3.4.11.*). chebi_ontology EC 3.4.11.* (aminopeptidase) inhibitors EC 3.4.11.* inhibitor EC 3.4.11.* inhibitors aminopeptidase (EC 3.4.11.*) inhibitor aminopeptidase (EC 3.4.11.*) inhibitors CHEBI:76787 EC 3.4.11.* (aminopeptidase) inhibitor EC 3.4.11.* (aminopeptidase) inhibitors ChEBI EC 3.4.11.* inhibitor ChEBI EC 3.4.11.* inhibitors ChEBI aminopeptidase (EC 3.4.11.*) inhibitor ChEBI aminopeptidase (EC 3.4.11.*) inhibitors ChEBI An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of any dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*). chebi_ontology EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitors EC 3.4.14.* inhibitor EC 3.4.14.* inhibitors EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitor EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitors dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitor dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitors dipeptidyl- and tripeptidyl-peptidase inhibitor dipeptidyl- and tripeptidyl-peptidase inhibitors dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors dipeptidyl- and tripeptidyl-peptidases inhibitor dipeptidyl- and tripeptidyl-peptidases inhibitors dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors CHEBI:76788 EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitors ChEBI EC 3.4.14.* inhibitor ChEBI EC 3.4.14.* inhibitors ChEBI EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitor ChEBI EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitors ChEBI dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitor ChEBI dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitors ChEBI dipeptidyl- and tripeptidyl-peptidase inhibitor ChEBI dipeptidyl- and tripeptidyl-peptidase inhibitors ChEBI dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor ChEBI dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors ChEBI dipeptidyl- and tripeptidyl-peptidases inhibitor ChEBI dipeptidyl- and tripeptidyl-peptidases inhibitors ChEBI dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor ChEBI dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors ChEBI An EC 2.4.* (glycosyltransferase) inhibitor that interferes with the action of any pentosyltransferase (EC 2.4.2.*). chebi_ontology EC 2.4.2.* (pentosyltransferase) inhibitors EC 2.4.2.* inhibitor EC 2.4.2.* inhibitors pentosyltransferase (EC 2.4.2.*) inhibitor pentosyltransferase (EC 2.4.2.*) inhibitors pentosyltransferase inhibitor pentosyltransferase inhibitors CHEBI:76790 EC 2.4.2.* (pentosyltransferase) inhibitor EC 2.4.2.* (pentosyltransferase) inhibitors ChEBI EC 2.4.2.* inhibitor ChEBI EC 2.4.2.* inhibitors ChEBI pentosyltransferase (EC 2.4.2.*) inhibitor ChEBI pentosyltransferase (EC 2.4.2.*) inhibitors ChEBI pentosyltransferase inhibitor ChEBI pentosyltransferase inhibitors ChEBI An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the action of any cysteine endopeptidase (EC 3.4.22.*). chebi_ontology EC 3.4.22.* (cysteine endopeptidase) inhibitors EC 3.4.22.* inhibitor EC 3.4.22.* inhibitors cysteine endopeptidase (EC 3.4.22.*) inhibitor cysteine endopeptidase (EC 3.4.22.*) inhibitors cysteine endopeptidase inhibitor cysteine endopeptidase inhibitors CHEBI:76796 EC 3.4.22.* (cysteine endopeptidase) inhibitor EC 3.4.22.* (cysteine endopeptidase) inhibitors ChEBI EC 3.4.22.* inhibitor ChEBI EC 3.4.22.* inhibitors ChEBI cysteine endopeptidase (EC 3.4.22.*) inhibitor ChEBI cysteine endopeptidase (EC 3.4.22.*) inhibitors ChEBI cysteine endopeptidase inhibitor ChEBI cysteine endopeptidase inhibitors ChEBI An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18). Wikipedia:Glutathione_S-transferase chebi_ontology EC 2.5.1.18 (glutathione transferase) inhibitors EC 2.5.1.18 inhibitor EC 2.5.1.18 inhibitors RX:glutathione R-transferase inhibitor RX:glutathione R-transferase inhibitors S-(hydroxyalkyl)glutathione lyase inhibitor S-(hydroxyalkyl)glutathione lyase inhibitors glutathione S-alkyl transferase inhibitor glutathione S-alkyl transferase inhibitors glutathione S-alkyltransferase inhibitor glutathione S-alkyltransferase inhibitors glutathione S-aralkyltransferase inhibitor glutathione S-aralkyltransferase inhibitors glutathione S-aryltransferase inhibitor glutathione S-aryltransferase inhibitors glutathione S-transferase inhibitor glutathione S-transferase inhibitors glutathione transferase (EC 2.5.1.18) inhibitor glutathione transferase (EC 2.5.1.18) inhibitors glutathione transferase inhibitor glutathione transferase inhibitors CHEBI:76797 EC 2.5.1.18 (glutathione transferase) inhibitor EC 2.5.1.18 (glutathione transferase) inhibitors ChEBI EC 2.5.1.18 inhibitor ChEBI EC 2.5.1.18 inhibitors ChEBI RX:glutathione R-transferase inhibitor ChEBI RX:glutathione R-transferase inhibitors ChEBI S-(hydroxyalkyl)glutathione lyase inhibitor ChEBI S-(hydroxyalkyl)glutathione lyase inhibitors ChEBI glutathione S-alkyl transferase inhibitor ChEBI glutathione S-alkyl transferase inhibitors ChEBI glutathione S-alkyltransferase inhibitor ChEBI glutathione S-alkyltransferase inhibitors ChEBI glutathione S-aralkyltransferase inhibitor ChEBI glutathione S-aralkyltransferase inhibitors ChEBI glutathione S-aryltransferase inhibitor ChEBI glutathione S-aryltransferase inhibitors ChEBI glutathione S-transferase inhibitor ChEBI glutathione S-transferase inhibitors ChEBI glutathione transferase (EC 2.5.1.18) inhibitor ChEBI glutathione transferase (EC 2.5.1.18) inhibitors ChEBI glutathione transferase inhibitor ChEBI glutathione transferase inhibitors ChEBI An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*). chebi_ontology EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors EC 3.5.1.* inhibitor EC 3.5.1.* inhibitors non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors CHEBI:76807 EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors ChEBI EC 3.5.1.* inhibitor ChEBI EC 3.5.1.* inhibitors ChEBI non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor ChEBI non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors ChEBI An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*). chebi_ontology EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitors EC 3.5.2.* inhibitor EC 3.5.2.* inhibitors non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*) inhibitor non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*) inhibitors non-peptide cyclic amide C-N hydrolase inhibitor non-peptide cyclic amide C-N hydrolase inhibitors CHEBI:76808 EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitors ChEBI EC 3.5.2.* inhibitor ChEBI EC 3.5.2.* inhibitors ChEBI non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*) inhibitor ChEBI non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*) inhibitors ChEBI non-peptide cyclic amide C-N hydrolase inhibitor ChEBI non-peptide cyclic amide C-N hydrolase inhibitors ChEBI An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of sphingomyelin phosphodiesterase (EC 3.1.4.12). Wikipedia:Sphingomyelin_phosphodiesterase chebi_ontology EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitors EC 3.1.4.12 inhibitor EC 3.1.4.12 inhibitors SMase inhibitor SMase inhibitors acid sphingomyelinase inhibitor acid sphingomyelinase inhibitors neutral sphingomyelinase inhibitor neutral sphingomyelinase inhibitors sphingomyelin cholinephosphohydrolase inhibitor sphingomyelin cholinephosphohydrolase inhibitors sphingomyelin phosphodiesterase (EC 3.1.4.12) inhibitor sphingomyelin phosphodiesterase (EC 3.1.4.12) inhibitors sphingomyelin phosphodiesterase inhibitor sphingomyelin phosphodiesterase inhibitors CHEBI:76811 EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitors ChEBI EC 3.1.4.12 inhibitor ChEBI EC 3.1.4.12 inhibitors ChEBI SMase inhibitor ChEBI SMase inhibitors ChEBI acid sphingomyelinase inhibitor ChEBI acid sphingomyelinase inhibitors ChEBI neutral sphingomyelinase inhibitor ChEBI neutral sphingomyelinase inhibitors ChEBI sphingomyelin cholinephosphohydrolase inhibitor ChEBI sphingomyelin cholinephosphohydrolase inhibitors ChEBI sphingomyelin phosphodiesterase (EC 3.1.4.12) inhibitor ChEBI sphingomyelin phosphodiesterase (EC 3.1.4.12) inhibitors ChEBI sphingomyelin phosphodiesterase inhibitor ChEBI sphingomyelin phosphodiesterase inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-serine/threonine kinase (EC 2.7.11.*). chebi_ontology EC 2.7.11.* (protein-serine/threonine kinase) inhibitors EC 2.7.11.* inhibitor EC 2.7.11.* inhibitors protein-serine/threonine kinase (EC 2.7.11.*) inhibitor protein-serine/threonine kinase (EC 2.7.11.*) inhibitors protein-serine/threonine kinase inhibitor protein-serine/threonine kinase inhibitors CHEBI:76812 EC 2.7.11.* (protein-serine/threonine kinase) inhibitor EC 2.7.11.* (protein-serine/threonine kinase) inhibitors ChEBI EC 2.7.11.* inhibitor ChEBI EC 2.7.11.* inhibitors ChEBI protein-serine/threonine kinase (EC 2.7.11.*) inhibitor ChEBI protein-serine/threonine kinase (EC 2.7.11.*) inhibitors ChEBI protein-serine/threonine kinase inhibitor ChEBI protein-serine/threonine kinase inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*). chebi_ontology EC 2.7.7.* (nucleotidyltransferase) inhibitors inhibitor of nucleotidyltransferases inhibitor of nucleotidyltransferases (EC 2.7.7.*) inhibitors of nucleotidyltransferases inhibitors of nucleotidyltransferases (EC 2.7.7.*) nucleotidyltransferase (EC 2.7.7.*) inhibitor nucleotidyltransferase (EC 2.7.7.*) inhibitors nucleotidyltransferase inhibitor nucleotidyltransferase inhibitors CHEBI:76815 EC 2.7.7.* (nucleotidyltransferase) inhibitor EC 2.7.7.* (nucleotidyltransferase) inhibitors ChEBI inhibitor of nucleotidyltransferases ChEBI inhibitor of nucleotidyltransferases (EC 2.7.7.*) ChEBI inhibitors of nucleotidyltransferases ChEBI inhibitors of nucleotidyltransferases (EC 2.7.7.*) ChEBI nucleotidyltransferase (EC 2.7.7.*) inhibitor ChEBI nucleotidyltransferase (EC 2.7.7.*) inhibitors ChEBI nucleotidyltransferase inhibitor ChEBI nucleotidyltransferase inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with any enzyme in the EC 2.7.8.* (transferases for other substituted phosphate groups) category. chebi_ontology EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitors EC 2.7.8.* inhibitor EC 2.7.8.* inhibitors CHEBI:76816 EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitors ChEBI EC 2.7.8.* inhibitor ChEBI EC 2.7.8.* inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-tyrosine kinase (EC 2.7.10.*). chebi_ontology EC 2.7.10.* (protein-tyrosine kinase) inhibitors EC 2.7.10.* inhibitor EC 2.7.10.* inhibitors protein-tyrosine kinase (EC 2.7.10.*) inhibitor protein-tyrosine kinase (EC 2.7.10.*) inhibitors protein-tyrosine kinase inhibitor protein-tyrosine kinase inhibitors CHEBI:76817 EC 2.7.10.* (protein-tyrosine kinase) inhibitor EC 2.7.10.* (protein-tyrosine kinase) inhibitors ChEBI EC 2.7.10.* inhibitor ChEBI EC 2.7.10.* inhibitors ChEBI protein-tyrosine kinase (EC 2.7.10.*) inhibitor ChEBI protein-tyrosine kinase (EC 2.7.10.*) inhibitors ChEBI protein-tyrosine kinase inhibitor ChEBI protein-tyrosine kinase inhibitors ChEBI An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of any acid-ammonia (or amine) ligase (EC 6.3.1.*). chebi_ontology EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors EC 6.3.1.* inhibitor EC 6.3.1.* inhibitors acid-ammonia (or amine) ligase inhibitor acid-ammonia (or amine) ligase inhibitors CHEBI:76823 EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors ChEBI EC 6.3.1.* inhibitor ChEBI EC 6.3.1.* inhibitors ChEBI acid-ammonia (or amine) ligase inhibitor ChEBI acid-ammonia (or amine) ligase inhibitors ChEBI An EC 6.4.* (C-C bond-forming ligase) inhibitor that interferes with the action of a carboxylating enzyme (EC 6.4.1.*). chebi_ontology EC 6.4.1.* (C-C bond forming ligase) inhibitor EC 6.4.1.* (C-C bond forming ligase) inhibitors EC 6.4.1.* (C-C bond-forming ligase) inhibitors EC 6.4.1.* (carboxylase) inhibitors EC 6.4.1.* inhibitor EC 6.4.1.* inhibitors inhibitor of ligases forming C-C bonds inhibitor of ligases forming C-C bonds (EC 6.4.1.*) inhibitors of ligases forming C-C bonds inhibitors of ligases forming C-C bonds (EC 6.4.1.*) CHEBI:76824 EC 6.4.1.* (carboxylase) inhibitor EC 6.4.1.* (C-C bond forming ligase) inhibitor ChEBI EC 6.4.1.* (C-C bond forming ligase) inhibitors ChEBI EC 6.4.1.* (C-C bond-forming ligase) inhibitors ChEBI EC 6.4.1.* (carboxylase) inhibitors ChEBI EC 6.4.1.* inhibitor ChEBI EC 6.4.1.* inhibitors ChEBI inhibitor of ligases forming C-C bonds ChEBI inhibitor of ligases forming C-C bonds (EC 6.4.1.*) ChEBI inhibitors of ligases forming C-C bonds ChEBI inhibitors of ligases forming C-C bonds (EC 6.4.1.*) ChEBI An EC 5.4.* (intramolecular transferase) inhibitor that interferes with the activity of any intramolecular transferase transferring amino groups (EC 5.4.3.*). chebi_ontology EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitors EC 5.4.3.* inhibitor EC 5.4.3.* inhibitors inhibitor of intramolecular transferase transferring amino groups inhibitor of intramolecular transferase transferring amino groups (EC 5.4.3.*) inhibitors of intramolecular transferase transferring amino groups inhibitors of intramolecular transferase transferring amino groups (EC 5.4.3.*) CHEBI:76829 EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitors ChEBI EC 5.4.3.* inhibitor ChEBI EC 5.4.3.* inhibitors ChEBI inhibitor of intramolecular transferase transferring amino groups ChEBI inhibitor of intramolecular transferase transferring amino groups (EC 5.4.3.*) ChEBI inhibitors of intramolecular transferase transferring amino groups ChEBI inhibitors of intramolecular transferase transferring amino groups (EC 5.4.3.*) ChEBI An EC 5.99.* (other isomerases) inhibitor that interferes with the activity of any enzyme in the EC 5.99.1.* class. chebi_ontology EC 5.99.1.* (miscellaneous isomerase) inhibitors EC 5.99.1.* inhibitor EC 5.99.1.* inhibitors CHEBI:76830 EC 5.99.1.* (miscellaneous isomerase) inhibitor EC 5.99.1.* (miscellaneous isomerase) inhibitors ChEBI EC 5.99.1.* inhibitor ChEBI EC 5.99.1.* inhibitors ChEBI An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*). chebi_ontology EC 4.3.1.* (ammonia-lyase) inhibitors EC 4.3.1.* (ammonia-lyases) inhibitor EC 4.3.1.* (ammonia-lyases) inhibitors EC 4.3.1.* inhibitor EC 4.3.1.* inhibitors ammonia-lyase (EC 4.3.1.*) inhibitor ammonia-lyase (EC 4.3.1.*) inhibitors ammonia-lyase inhibitor ammonia-lyase inhibitors CHEBI:76832 EC 4.3.1.* (ammonia-lyase) inhibitor EC 4.3.1.* (ammonia-lyase) inhibitors ChEBI EC 4.3.1.* (ammonia-lyases) inhibitor ChEBI EC 4.3.1.* (ammonia-lyases) inhibitors ChEBI EC 4.3.1.* inhibitor ChEBI EC 4.3.1.* inhibitors ChEBI ammonia-lyase (EC 4.3.1.*) inhibitor ChEBI ammonia-lyase (EC 4.3.1.*) inhibitors ChEBI ammonia-lyase inhibitor ChEBI ammonia-lyase inhibitors ChEBI An EC 2.5.* (transferase) inhibitor that inhibits the action of any transferase that transfers an alkyl (other than methyl) or aryl group (EC 2.5.*). chebi_ontology EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors EC 2.5.* inhibitor EC 2.5.* inhibitors non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors CHEBI:76834 EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors ChEBI EC 2.5.* inhibitor ChEBI EC 2.5.* inhibitors ChEBI non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor ChEBI non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors ChEBI An EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor that uses NAD(+) or NADP(+) as acceptor (EC 1.1.1.*). chebi_ontology EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors EC 1.1.1.* inhibitor EC 1.1.1.* inhibitors oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors CHEBI:76835 EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors ChEBI EC 1.1.1.* inhibitor ChEBI EC 1.1.1.* inhibitors ChEBI oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor ChEBI oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors ChEBI An EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor that inhibits the action of any oxidoreductase incorporating 2 atoms of oxygen (EC 1.13.11.*). chebi_ontology EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitors EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitors EC 1.13.11.* inhibitor EC 1.13.11.* inhibitors oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitor oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitors CHEBI:76837 EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitors ChEBI EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor ChEBI EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitors ChEBI EC 1.13.11.* inhibitor ChEBI EC 1.13.11.* inhibitors ChEBI oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitor ChEBI oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitors ChEBI An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using reduced flavin or flavoprotein as donor (EC 1.14.14.*). chebi_ontology EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors EC 1.14.14.* inhibitor EC 1.14.14.* inhibitors oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitor oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitors CHEBI:76838 EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors ChEBI EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor ChEBI EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors ChEBI EC 1.14.14.* inhibitor ChEBI EC 1.14.14.* inhibitors ChEBI oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitor ChEBI oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitors ChEBI An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any enzyme in the EC 1.14.99.* (miscellaneous) category. chebi_ontology EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors EC 1.14.99.* inhibitor EC 1.14.99.* inhibitors miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitor miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitors CHEBI:76840 EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors ChEBI EC 1.14.99.* inhibitor ChEBI EC 1.14.99.* inhibitors ChEBI miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitor ChEBI miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitors ChEBI An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using NADH or NADPH as one donor (EC 1.14.13.*). chebi_ontology EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitors EC 1.14.13.* inhibitor EC 1.14.13.* inhibitors oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitor oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitors CHEBI:76841 EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitors ChEBI EC 1.14.13.* inhibitor ChEBI EC 1.14.13.* inhibitors ChEBI oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitor ChEBI oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitors ChEBI An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme using a miscellaneous compound as one donor and incorporating one atom of oxygen (EC 1.14.18.*). chebi_ontology EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitors EC 1.14.18.* inhibitor EC 1.14.18.* inhibitors oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitor oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitors CHEBI:76845 EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitors ChEBI EC 1.14.18.* inhibitor ChEBI EC 1.14.18.* inhibitors ChEBI oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitor ChEBI oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitors ChEBI An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that interferes with the activity of any such enzyme that uses a disulfide as acceptor (EC 1.17.4.*). chebi_ontology EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitors EC 1.17.4.* inhibitor EC 1.17.4.* inhibitors oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitor oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitors CHEBI:76848 EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitors ChEBI EC 1.17.4.* inhibitor ChEBI EC 1.17.4.* inhibitors ChEBI oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitor ChEBI oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitors ChEBI An EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.2.1.*). chebi_ontology EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitors EC 1.2.1.* inhibitor EC 1.2.1.* inhibitors oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor (EC 1.2.1.*) inhibitor oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor (EC 1.2.1.*) inhibitors CHEBI:76852 EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitors ChEBI EC 1.2.1.* inhibitor ChEBI EC 1.2.1.* inhibitors ChEBI oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor (EC 1.2.1.*) inhibitor ChEBI oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor (EC 1.2.1.*) inhibitors ChEBI An EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.2.3.*). chebi_ontology EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitors EC 1.2.3.* inhibitor EC 1.2.3.* inhibitors oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor (EC 1.2.3.*) inhibitor oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor (EC 1.2.3.*) inhibitors CHEBI:76853 EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitors ChEBI EC 1.2.3.* inhibitor ChEBI EC 1.2.3.* inhibitors ChEBI oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor (EC 1.2.3.*) inhibitor ChEBI oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor (EC 1.2.3.*) inhibitors ChEBI An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.3.1.*). chebi_ontology EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitor EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitors EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitors EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitors EC 1.3.1.* inhibitor EC 1.3.1.* inhibitors oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitor oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitors CHEBI:76857 EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitor ChEBI EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitors ChEBI EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor ChEBI EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitors ChEBI EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitors ChEBI EC 1.3.1.* inhibitor ChEBI EC 1.3.1.* inhibitors ChEBI oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitor ChEBI oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitors ChEBI An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the function of any such enzyme in the EC 1.3.98.* (with other acceptors) category. chebi_ontology EC 1.3.99.* (oxidoreductase acting on donor CH-CH group with other acceptors) inhibitors EC 1.3.99.* (oxidoreductase acting on donor CH-CH group, with other acceptors) inhibitors EC 1.3.99.* inhibitor EC 1.3.99.* inhibitors oxidoreductase acting on donor CH-CH group with other acceptors (EC 1.3.99.*) inhibitor oxidoreductase acting on donor CH-CH group with other acceptors (EC 1.3.99.*) inhibitors CHEBI:76859 EC 1.3.99.* (oxidoreductase acting on donor CH-CH group, with other acceptors) inhibitor EC 1.3.99.* (oxidoreductase acting on donor CH-CH group with other acceptors) inhibitors ChEBI EC 1.3.99.* (oxidoreductase acting on donor CH-CH group, with other acceptors) inhibitors ChEBI EC 1.3.99.* inhibitor ChEBI EC 1.3.99.* inhibitors ChEBI oxidoreductase acting on donor CH-CH group with other acceptors (EC 1.3.99.*) inhibitor ChEBI oxidoreductase acting on donor CH-CH group with other acceptors (EC 1.3.99.*) inhibitors ChEBI An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.3.3.*). chebi_ontology EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitors EC 1.3.3.* (oxidoreductase acting on donor CH-CH group, oxygen as acceptor) inhibitors EC 1.3.3.* inhibitor EC 1.3.3.* inhibitors oxidoreductase acting on donor CH-CH group with oxygen as acceptor (EC 1.3.3.*) inhibitor oxidoreductase acting on donor CH-CH group with oxygen as acceptor (EC 1.3.3.*) inhibitors CHEBI:76860 EC 1.3.3.* (oxidoreductase acting on donor CH-CH group, oxygen as acceptor) inhibitor EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor ChEBI EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitors ChEBI EC 1.3.3.* (oxidoreductase acting on donor CH-CH group, oxygen as acceptor) inhibitors ChEBI EC 1.3.3.* inhibitor ChEBI EC 1.3.3.* inhibitors ChEBI oxidoreductase acting on donor CH-CH group with oxygen as acceptor (EC 1.3.3.*) inhibitor ChEBI oxidoreductase acting on donor CH-CH group with oxygen as acceptor (EC 1.3.3.*) inhibitors ChEBI An EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.4.3.*). chebi_ontology EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors EC 1.4.3.* inhibitor EC 1.4.3.* inhibitors oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors CHEBI:76861 EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors ChEBI EC 1.4.3.* inhibitor ChEBI EC 1.4.3.* inhibitors ChEBI oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor ChEBI oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors ChEBI An EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.5.1.*). chebi_ontology EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitors EC 1.5.1.* inhibitor EC 1.5.1.* inhibitors oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitor oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitors CHEBI:76863 EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitors ChEBI EC 1.5.1.* inhibitor ChEBI EC 1.5.1.* inhibitors ChEBI oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitor ChEBI oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitors ChEBI An EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor that interferes with the action of any such enzyme using a quinone or similar as acceptor (EC 1.6.5.*). chebi_ontology EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitors EC 1.6.5.* inhibitor EC 1.6.5.* inhibitors oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor (EC 1.6.5.*) inhibitor oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor (EC 1.6.5.*) inhibitors CHEBI:76866 EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitors ChEBI EC 1.6.5.* inhibitor ChEBI EC 1.6.5.* inhibitors ChEBI oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor (EC 1.6.5.*) inhibitor ChEBI oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor (EC 1.6.5.*) inhibitors ChEBI An EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.8.1.*). chebi_ontology EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitors EC 1.8.1.* inhibitor EC 1.8.1.* inhibitors oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitor oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitors CHEBI:76869 EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitors ChEBI EC 1.8.1.* inhibitor ChEBI EC 1.8.1.* inhibitors ChEBI oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitor ChEBI oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitors ChEBI An EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.9.3.*). chebi_ontology EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitors EC 1.9.3.* inhibitor EC 1.9.3.* inhibitors oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitor oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitors CHEBI:76870 EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitors ChEBI EC 1.9.3.* inhibitor ChEBI EC 1.9.3.* inhibitors ChEBI oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitor ChEBI oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitors ChEBI An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any methyltransferase (EC 2.1.1.*). chebi_ontology EC 2.1.1.* (methyltransferase) inhibitor EC 2.1.1.* (methyltransferase) inhibitors EC 2.1.1.* (methyltransferases) inhibitors EC 2.1.1.* inhibitor EC 2.1.1.* inhibitors methyltransferase (EC 2.1.1.*) inhibitor methyltransferase (EC 2.1.1.*) inhibitors CHEBI:76871 EC 2.1.1.* (methyltransferases) inhibitor EC 2.1.1.* (methyltransferase) inhibitor ChEBI EC 2.1.1.* (methyltransferase) inhibitors ChEBI EC 2.1.1.* (methyltransferases) inhibitors ChEBI EC 2.1.1.* inhibitor ChEBI EC 2.1.1.* inhibitors ChEBI methyltransferase (EC 2.1.1.*) inhibitor ChEBI methyltransferase (EC 2.1.1.*) inhibitors ChEBI An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*). chebi_ontology EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors EC 2.1.2.* inhibitor EC 2.1.2.* inhibitors hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors CHEBI:76874 EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors ChEBI EC 2.1.2.* inhibitor ChEBI EC 2.1.2.* inhibitors ChEBI hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor ChEBI hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors ChEBI An EC 2.2.* (aldehyde or ketone transferase) inhibitor that interferes with the action of any (transketolase or transaldolase (EC 2.2.1.*). chebi_ontology EC 2.2.1.* (transketolase/transaldolase) inhibitors EC 2.2.1.* (transketolases and transaldolases) inhibitor EC 2.2.1.* (transketolases and transaldolases) inhibitors EC 2.2.1.* inhibitor EC 2.2.1.* inhibitors transketolase/transaldolase (EC 2.2.1.*) inhibitor transketolase/transaldolase (EC 2.2.1.*) inhibitors CHEBI:76876 EC 2.2.1.* (transketolase/transaldolase) inhibitor EC 2.2.1.* (transketolase/transaldolase) inhibitors ChEBI EC 2.2.1.* (transketolases and transaldolases) inhibitor ChEBI EC 2.2.1.* (transketolases and transaldolases) inhibitors ChEBI EC 2.2.1.* inhibitor ChEBI EC 2.2.1.* inhibitors ChEBI transketolase/transaldolase (EC 2.2.1.*) inhibitor ChEBI transketolase/transaldolase (EC 2.2.1.*) inhibitors ChEBI An EC 2.3.* (acyltransferase) inhibitor that inhibits the action of any acyltransferase transferring groups other than amino-acyl groups (EC 2.3.1.*). chebi_ontology EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitors EC 2.3.1.* inhibitor EC 2.3.1.* inhibitors acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitor acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitors CHEBI:76878 EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitors ChEBI EC 2.3.1.* inhibitor ChEBI EC 2.3.1.* inhibitors ChEBI acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitor ChEBI acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any phosphotransferase with an alcohol group as acceptor (EC 2.7.1.*). chebi_ontology EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitors EC 2.7.1.* inhibitor EC 2.7.1.* inhibitors phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitor phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitors CHEBI:76881 EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitors ChEBI EC 2.7.1.* inhibitor ChEBI EC 2.7.1.* inhibitors ChEBI phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitor ChEBI phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitors ChEBI An EC 3.4.11.* (aminopeptidase) inhibitor that interferes with the action of cytosol alanyl aminopeptidase (EC 3.4.11.14). Wikipedia:Cytosol_alanyl_aminopeptidase chebi_ontology EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitors EC 3.4.11.14 inhibitor EC 3.4.11.14 inhibitors alanine aminopeptidase inhibitor alanine aminopeptidase inhibitors aminopolypeptidase inhibitor aminopolypeptidase inhibitors arylamidase inhibitor arylamidase inhibitors cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitor cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitors cytosol alanyl aminopeptidase inhibitor cytosol alanyl aminopeptidase inhibitors cytosol aminopeptidase III inhibitor cytosol aminopeptidase III inhibitors human liver aminopeptidase inhibitor human liver aminopeptidase inhibitors puromycin-sensitive aminopeptidase inhibitor puromycin-sensitive aminopeptidase inhibitors soluble alanyl aminopeptidase inhibitor soluble alanyl aminopeptidase inhibitors thiol-activated aminopeptidase inhibitor thiol-activated aminopeptidase inhibitors CHEBI:76891 EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitors ChEBI EC 3.4.11.14 inhibitor ChEBI EC 3.4.11.14 inhibitors ChEBI alanine aminopeptidase inhibitor ChEBI alanine aminopeptidase inhibitors ChEBI aminopolypeptidase inhibitor ChEBI aminopolypeptidase inhibitors ChEBI arylamidase inhibitor ChEBI arylamidase inhibitors ChEBI cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitor ChEBI cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitors ChEBI cytosol alanyl aminopeptidase inhibitor ChEBI cytosol alanyl aminopeptidase inhibitors ChEBI cytosol aminopeptidase III inhibitor ChEBI cytosol aminopeptidase III inhibitors ChEBI human liver aminopeptidase inhibitor ChEBI human liver aminopeptidase inhibitors ChEBI puromycin-sensitive aminopeptidase inhibitor ChEBI puromycin-sensitive aminopeptidase inhibitors ChEBI soluble alanyl aminopeptidase inhibitor ChEBI soluble alanyl aminopeptidase inhibitors ChEBI thiol-activated aminopeptidase inhibitor ChEBI thiol-activated aminopeptidase inhibitors ChEBI An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that interferes with the action of dipeptidyl-peptidase II (EC 3.4.14.2). chebi_ontology DAP II inhibitor DAP II inhibitors EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitors EC 3.4.14.2 inhibitor EC 3.4.14.2 inhibitors carboxytripeptidase inhibitor carboxytripeptidase inhibitors dipeptidyl aminopeptidase II inhibitor dipeptidyl aminopeptidase II inhibitors dipeptidyl arylamidase II inhibitor dipeptidyl arylamidase II inhibitors dipeptidyl peptidase II inhibitor dipeptidyl peptidase II inhibitors dipeptidyl(amino)peptidase II inhibitor dipeptidyl(amino)peptidase II inhibitors dipeptidyl-peptidase II (EC 3.4.14.2) inhibitor dipeptidyl-peptidase II (EC 3.4.14.2) inhibitors dipeptidyl-peptidase II inhibitor dipeptidyl-peptidase II inhibitors dipeptidylarylamidase inhibitor dipeptidylarylamidase inhibitors CHEBI:76893 EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor DAP II inhibitor ChEBI DAP II inhibitors ChEBI EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitors ChEBI EC 3.4.14.2 inhibitor ChEBI EC 3.4.14.2 inhibitors ChEBI carboxytripeptidase inhibitor ChEBI carboxytripeptidase inhibitors ChEBI dipeptidyl aminopeptidase II inhibitor ChEBI dipeptidyl aminopeptidase II inhibitors ChEBI dipeptidyl arylamidase II inhibitor ChEBI dipeptidyl arylamidase II inhibitors ChEBI dipeptidyl peptidase II inhibitor ChEBI dipeptidyl peptidase II inhibitors ChEBI dipeptidyl(amino)peptidase II inhibitor ChEBI dipeptidyl(amino)peptidase II inhibitors ChEBI dipeptidyl-peptidase II (EC 3.4.14.2) inhibitor ChEBI dipeptidyl-peptidase II (EC 3.4.14.2) inhibitors ChEBI dipeptidyl-peptidase II inhibitor ChEBI dipeptidyl-peptidase II inhibitors ChEBI dipeptidylarylamidase inhibitor ChEBI dipeptidylarylamidase inhibitors ChEBI An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme that catalyses transmembrane movement of substances (EC 3.6.3.*). chebi_ontology EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitors EC 3.6.3.* inhibitor EC 3.6.3.* inhibitors acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitor acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitors CHEBI:76895 EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitors ChEBI EC 3.6.3.* inhibitor ChEBI EC 3.6.3.* inhibitors ChEBI acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitor ChEBI acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitors ChEBI An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor that interferes with the action of an unspecified monooxygenase (EC 1.14.14.1). chebi_ontology EC 1.14.14.1 (unspecific monooxygenase) inhibitors EC 1.14.14.1 inhibitor EC 1.14.14.1 inhibitors aryl hydrocarbon hydroxylase inhibitor aryl hydrocarbon hydroxylase inhibitors aryl-4-monooxygenase inhibitor aryl-4-monooxygenase inhibitors flavoprotein monooxygenase inhibitor flavoprotein monooxygenase inhibitors flavoprotein-linked monooxygenase inhibitor flavoprotein-linked monooxygenase inhibitors microsomal P-450 inhibitor microsomal P-450 inhibitors microsomal monooxygenase inhibitor microsomal monooxygenase inhibitors substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitor substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitors unspecific monooxygenase (EC 1.14.14.1) inhibitor unspecific monooxygenase (EC 1.14.14.1) inhibitors unspecific monooxygenase inhibitor unspecific monooxygenase inhibitors xenobiotic monooxygenase inhibitor xenobiotic monooxygenase inhibitors CHEBI:76898 EC 1.14.14.1 (unspecific monooxygenase) inhibitor EC 1.14.14.1 (unspecific monooxygenase) inhibitors ChEBI EC 1.14.14.1 inhibitor ChEBI EC 1.14.14.1 inhibitors ChEBI aryl hydrocarbon hydroxylase inhibitor ChEBI aryl hydrocarbon hydroxylase inhibitors ChEBI aryl-4-monooxygenase inhibitor ChEBI aryl-4-monooxygenase inhibitors ChEBI flavoprotein monooxygenase inhibitor ChEBI flavoprotein monooxygenase inhibitors ChEBI flavoprotein-linked monooxygenase inhibitor ChEBI flavoprotein-linked monooxygenase inhibitors ChEBI microsomal P-450 inhibitor ChEBI microsomal P-450 inhibitors ChEBI microsomal monooxygenase inhibitor ChEBI microsomal monooxygenase inhibitors ChEBI substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitor ChEBI substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitors ChEBI unspecific monooxygenase (EC 1.14.14.1) inhibitor ChEBI unspecific monooxygenase (EC 1.14.14.1) inhibitors ChEBI unspecific monooxygenase inhibitor ChEBI unspecific monooxygenase inhibitors ChEBI xenobiotic monooxygenase inhibitor ChEBI xenobiotic monooxygenase inhibitors ChEBI An EC 4.1.* (C-C lyase) inhibitor that interferes with the action of any carboxy-lyase (EC 4.1.1.*). chebi_ontology EC 4.1.1.* (carboxy-lyase) inhibitors EC 4.1.1.* inhibitor EC 4.1.1.* inhibitors carboxy-lyase (EC 4.1.1.*) inhibitor carboxy-lyase (EC 4.1.1.*) inhibitors carboxy-lyases (EC 4.1.1.*) inhibitor carboxy-lyases (EC 4.1.1.*) inhibitors CHEBI:76906 EC 4.1.1.* (carboxy-lyase) inhibitor EC 4.1.1.* (carboxy-lyase) inhibitors ChEBI EC 4.1.1.* inhibitor ChEBI EC 4.1.1.* inhibitors ChEBI carboxy-lyase (EC 4.1.1.*) inhibitor ChEBI carboxy-lyase (EC 4.1.1.*) inhibitors ChEBI carboxy-lyases (EC 4.1.1.*) inhibitor ChEBI carboxy-lyases (EC 4.1.1.*) inhibitors ChEBI An EC 4.2.* (C-O lyase) inhibitor that interferes with the action of any hydro-lyase (EC 4.2.1.*). chebi_ontology EC 4.2.1.* (hydro-lyase) inhibitor EC 4.2.1.* (hydro-lyase) inhibitors EC 4.2.1.* (hydro-lyases) inhibitors EC 4.2.1.* inhibitor EC 4.2.1.* inhibitors hydro-lyase (EC 4.2.1.*) inhibitor hydro-lyase (EC 4.2.1.*) inhibitors CHEBI:76907 EC 4.2.1.* (hydro-lyases) inhibitor EC 4.2.1.* (hydro-lyase) inhibitor ChEBI EC 4.2.1.* (hydro-lyase) inhibitors ChEBI EC 4.2.1.* (hydro-lyases) inhibitors ChEBI EC 4.2.1.* inhibitor ChEBI EC 4.2.1.* inhibitors ChEBI hydro-lyase (EC 4.2.1.*) inhibitor ChEBI hydro-lyase (EC 4.2.1.*) inhibitors ChEBI Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. CHEBI:75766 CHEBI:76925 chebi_ontology plant metabolites plant secondary metabolites CHEBI:76924 plant metabolite plant metabolites ChEBI plant secondary metabolites ChEBI An EC 3.4.13.* (dipeptidase) inhibitor that interferes with the action of membrane dipeptidase (EC 3.4.13.19). chebi_ontology DPH I inhibitors EC 3.4.13.19 (membrane dipeptidase) inhibitors EC 3.4.13.19 inhibitor EC 3.4.13.19 inhibitors MDP inhibitors aminodipeptidase inhibitors dehydropeptidase I (DPH I) inhibitors dehydropeptidase I inhibitors dipeptidase inhibitors dipeptide hydrolase inhibitors dipeptidyl hydrolase inhibitors glycosyl-phosphatidylinositol-anchored renal dipeptidase inhibitors membrane dipeptidase (EC 3.4.13.19) inhibitor membrane dipeptidase (EC 3.4.13.19) inhibitors membrane dipeptidase inhibitor membrane dipeptidase inhibitors microsomal dipeptidase inhibitors nonspecific dipeptidase inhibitors renal dipeptidase inhibitors CHEBI:76926 EC 3.4.13.19 (membrane dipeptidase) inhibitor DPH I inhibitors ChEBI EC 3.4.13.19 (membrane dipeptidase) inhibitors ChEBI EC 3.4.13.19 inhibitor ChEBI EC 3.4.13.19 inhibitors ChEBI MDP inhibitors ChEBI aminodipeptidase inhibitors ChEBI dehydropeptidase I (DPH I) inhibitors ChEBI dehydropeptidase I inhibitors ChEBI dipeptidase inhibitors ChEBI dipeptide hydrolase inhibitors ChEBI dipeptidyl hydrolase inhibitors ChEBI glycosyl-phosphatidylinositol-anchored renal dipeptidase inhibitors ChEBI membrane dipeptidase (EC 3.4.13.19) inhibitor ChEBI membrane dipeptidase (EC 3.4.13.19) inhibitors ChEBI membrane dipeptidase inhibitor ChEBI membrane dipeptidase inhibitors ChEBI microsomal dipeptidase inhibitors ChEBI nonspecific dipeptidase inhibitors ChEBI renal dipeptidase inhibitors ChEBI A fatty acid anion obtained by deprotonation of the carboxy group of any 2,3-saturated fatty acid. -1 C3H4O2R 72.063 72.02113 [O-]C(=O)CC[*] chebi_ontology a 2,3-saturated fatty acid CHEBI:76928 2,3-saturated fatty acid(1-) a 2,3-saturated fatty acid UniProt Any fatty acid in which the first two carbons of the chain attached to the carboxy group are saturated and unbranched. 0 C3H5O2R 73.071 73.02895 OC(=O)CC[*] chebi_ontology CHEBI:76929 2,3-saturated fatty acid An enzyme inhibitor that interferes with one or more steps in a metabolic pathway. chebi_ontology metabolic pathway inhibitor metabolic pathway inhibitors pathway inhibitors CHEBI:76932 pathway inhibitor metabolic pathway inhibitor ChEBI metabolic pathway inhibitors ChEBI pathway inhibitors ChEBI An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme acting on ATP and involved in cellular and subcellular movement (EC 3.6.4.*). chebi_ontology EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitor EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitors EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitors EC 3.6.4.* inhibitor EC 3.6.4.* inhibitors hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitor hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitors CHEBI:76938 EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitor ChEBI EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitors ChEBI EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitors ChEBI EC 3.6.4.* inhibitor ChEBI EC 3.6.4.* inhibitors ChEBI hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitor ChEBI hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitors ChEBI An EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor that interferes with the action of a non-chaperonin molecular chaperone ATPase (EC 3.6.4.10). Wikipedia:Non-chaperonin_molecular_chaperone_ATPase chebi_ontology ATP phosphohydrolase (polypeptide-polymerising) inhibitor ATP phosphohydrolase (polypeptide-polymerising) inhibitors ATP phosphohydrolase (polypeptide-polymerizing) inhibitor ATP phosphohydrolase (polypeptide-polymerizing) inhibitors EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitors EC 3.6.4.10 inhibitor EC 3.6.4.10 inhibitors molecular chaperone Hsc70 ATPase inhibitor molecular chaperone Hsc70 ATPase inhibitors non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitor non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitors CHEBI:76939 EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor ATP phosphohydrolase (polypeptide-polymerising) inhibitor ChEBI ATP phosphohydrolase (polypeptide-polymerising) inhibitors ChEBI ATP phosphohydrolase (polypeptide-polymerizing) inhibitor ChEBI ATP phosphohydrolase (polypeptide-polymerizing) inhibitors ChEBI EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitors ChEBI EC 3.6.4.10 inhibitor ChEBI EC 3.6.4.10 inhibitors ChEBI molecular chaperone Hsc70 ATPase inhibitor ChEBI molecular chaperone Hsc70 ATPase inhibitors ChEBI non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitor ChEBI non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitors ChEBI Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. CHEBI:75765 CHEBI:76947 chebi_ontology fungal metabolites CHEBI:76946 fungal metabolite fungal metabolites ChEBI Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus. CHEBI:75864 CHEBI:76958 chebi_ontology Aspergillus metabolites CHEBI:76956 Aspergillus metabolite Aspergillus metabolites ChEBI Any fungal metabolite produced during a metabolic reaction in Penicillium. CHEBI:76205 CHEBI:76963 chebi_ontology Penicillium metabolites CHEBI:76964 Penicillium metabolite Penicillium metabolites ChEBI Any human metabolite produced by metabolism of a xenobiotic compound in humans. chebi_ontology human xenobiotic metabolites CHEBI:76967 human xenobiotic metabolite human xenobiotic metabolites ChEBI Any prokaryotic metabolite produced during a metabolic reaction in bacteria. CHEBI:75760 CHEBI:76970 chebi_ontology CHEBI:76969 bacterial metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. chebi_ontology E.coli metabolite E.coli metabolites Escherichia coli metabolites CHEBI:76971 Escherichia coli metabolite E.coli metabolite ChEBI E.coli metabolites ChEBI Escherichia coli metabolites ChEBI Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. chebi_ontology bacterial xenobiotic metabolites CHEBI:76976 bacterial xenobiotic metabolite bacterial xenobiotic metabolites ChEBI A urea in which one of the hydrogens attached to a nitrogen of the urea group is replaced by a sulfonyl group. The N-sulfonylurea moiety is a key group in various herbicides, as well as in a number of antidiabetic drugs used in the management of type 2 diabetis mellitus. 0 CN2O3SR4 120.08700 119.96296 [*]S(=O)(=O)N([*])C(=O)N([*])[*] PMID:23237384 PMID:23594109 PMID:23609875 Wikipedia:Sulfonylurea chebi_ontology N-sulfonylureas sulfonylurea sulfonylureas CHEBI:76983 N-sulfonylurea PMID:23237384 Europe PMC PMID:23594109 Europe PMC PMID:23609875 Europe PMC N-sulfonylureas ChEBI sulfonylurea ChEBI sulfonylureas ChEBI A synthetic or semi-synthetic compound that has oestrogenic activity. Wikipedia:Xenoestrogen chebi_ontology xenoestrogens CHEBI:76988 xenoestrogen xenoestrogens ChEBI Any compound produced by a plant that happens to have estrogenic activity. Wikipedia:Phytoestrogen chebi_ontology phytoestrogens CHEBI:76989 phytoestrogen phytoestrogens ChEBI An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme in the EC 1.10.99.* category. chebi_ontology EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors EC 1.10.99.* inhibitor EC 1.10.99.* inhibitors oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors CHEBI:77019 EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors ChEBI EC 1.10.99.* inhibitor ChEBI EC 1.10.99.* inhibitors ChEBI oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor ChEBI oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors ChEBI An EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor that interferes with the action of ribosyldihydronicotinamide dehydrogenase (quinone), EC 1.10.99.2. Wikipedia:Ribosyldihydronicotinamide_dehydrogenase_(quinone) chebi_ontology 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors EC 1.10.99.2 inhibitor EC 1.10.99.2 inhibitors N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors NAD(P)H:quinone oxidoreductase-2 inhibitor NAD(P)H:quinone oxidoreductase-2 inhibitors NAD(P)H:quinone oxidoreductase2 inhibitor NAD(P)H:quinone oxidoreductase2 inhibitors NQO2 inhibitor NQO2 inhibitors NRH:quinone oxidoreductase 2 inhibitor NRH:quinone oxidoreductase 2 inhibitors QR2 inhibitor QR2 inhibitors quinone reductase 2 inhibitor quinone reductase 2 inhibitors ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors CHEBI:77020 EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor ChEBI 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors ChEBI EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor ChEBI EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors ChEBI EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors ChEBI EC 1.10.99.2 inhibitor ChEBI EC 1.10.99.2 inhibitors ChEBI N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor ChEBI N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors ChEBI NAD(P)H:quinone oxidoreductase-2 inhibitor ChEBI NAD(P)H:quinone oxidoreductase-2 inhibitors ChEBI NAD(P)H:quinone oxidoreductase2 inhibitor ChEBI NAD(P)H:quinone oxidoreductase2 inhibitors ChEBI NQO2 inhibitor ChEBI NQO2 inhibitors ChEBI NRH:quinone oxidoreductase 2 inhibitor ChEBI NRH:quinone oxidoreductase 2 inhibitors ChEBI QR2 inhibitor ChEBI QR2 inhibitors ChEBI quinone reductase 2 inhibitor ChEBI quinone reductase 2 inhibitors ChEBI ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor ChEBI ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors ChEBI An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of 4-nitrophenylphosphatase (EC 3.1.3.41). Wikipedia:4-nitrophenylphosphatase chebi_ontology 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitor 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitors 4-nitrophenylphosphate phosphohydrolase inhibitor 4-nitrophenylphosphate phosphohydrolase inhibitors EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitors EC 3.1.3.41 inhibitor EC 3.1.3.41 inhibitors Ecto-p-nitrophenyl phosphatase inhibitor Ecto-p-nitrophenyl phosphatase inhibitors K-pNPPase inhibitor K-pNPPase inhibitors NPPase inhibitor NPPase inhibitors PNPPase inhibitor PNPPase inhibitors nitrophenyl phosphatase inhibitor nitrophenyl phosphatase inhibitors p-nitrophenylphosphatase inhibitor p-nitrophenylphosphatase inhibitors p-nitrophenylphosphate phosphohydrolase inhibitor p-nitrophenylphosphate phosphohydrolase inhibitors para-nitrophenyl phosphatase inhibitor para-nitrophenyl phosphatase inhibitors xK-pNPPase inhibitors CHEBI:77024 EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitor ChEBI 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitors ChEBI 4-nitrophenylphosphate phosphohydrolase inhibitor ChEBI 4-nitrophenylphosphate phosphohydrolase inhibitors ChEBI EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitors ChEBI EC 3.1.3.41 inhibitor ChEBI EC 3.1.3.41 inhibitors ChEBI Ecto-p-nitrophenyl phosphatase inhibitor ChEBI Ecto-p-nitrophenyl phosphatase inhibitors ChEBI K-pNPPase inhibitor ChEBI K-pNPPase inhibitors ChEBI NPPase inhibitor ChEBI NPPase inhibitors ChEBI PNPPase inhibitor ChEBI PNPPase inhibitors ChEBI nitrophenyl phosphatase inhibitor ChEBI nitrophenyl phosphatase inhibitors ChEBI p-nitrophenylphosphatase inhibitor ChEBI p-nitrophenylphosphatase inhibitors ChEBI p-nitrophenylphosphate phosphohydrolase inhibitor ChEBI p-nitrophenylphosphate phosphohydrolase inhibitors ChEBI para-nitrophenyl phosphatase inhibitor ChEBI para-nitrophenyl phosphatase inhibitors ChEBI xK-pNPPase inhibitors ChEBI Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex. PMID:17594730 chebi_ontology expectorants CHEBI:77035 expectorant PMID:17594730 Europe PMC expectorants ChEBI An organic cation that is the conjugate acid of tylosin, obtained by protonation of the tertiary amino group; major species at pH 7.3. +1 C46H78NO17 InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/p+1/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-O 917.10750 916.52643 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylazaniumyl)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside chebi_ontology tylosin CHEBI:77047 tylosin(1+) [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylazaniumyl)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside IUPAC tylosin UniProt An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of serine-sulfate ammonia-lyase (EC 4.3.1.10). Wikipedia:Serine-sulfate_ammonia-lyase chebi_ontology (L-SOS)lyase inhibitor (L-SOS)lyase inhibitors EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitors EC 4.3.1.10 inhibitor EC 4.3.1.10 inhibitors L-serine-O-sulfate ammonia-lyase (pyruvate-forming) inhibitor L-serine-O-sulfate ammonia-lyase (pyruvate-forming) inhibitors serine-sulfate ammonia-lyase (EC 4.3.1.10) inhibitor serine-sulfate ammonia-lyase (EC 4.3.1.10) inhibitors serine-sulfate ammonia-lyase inhibitor serine-sulfate ammonia-lyase inhibitors CHEBI:77090 EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor (L-SOS)lyase inhibitor ChEBI (L-SOS)lyase inhibitors ChEBI EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitors ChEBI EC 4.3.1.10 inhibitor ChEBI EC 4.3.1.10 inhibitors ChEBI L-serine-O-sulfate ammonia-lyase (pyruvate-forming) inhibitor ChEBI L-serine-O-sulfate ammonia-lyase (pyruvate-forming) inhibitors ChEBI serine-sulfate ammonia-lyase (EC 4.3.1.10) inhibitor ChEBI serine-sulfate ammonia-lyase (EC 4.3.1.10) inhibitors ChEBI serine-sulfate ammonia-lyase inhibitor ChEBI serine-sulfate ammonia-lyase inhibitors ChEBI An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using a quinone or related compound as acceptor (EC 1.3.5.*). chebi_ontology EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitors EC 1.3.5.* inhibitor EC 1.3.5.* inhibitors inhibitor of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor inhibitor of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitors of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor inhibitors of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitor oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitors CHEBI:77102 EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitors ChEBI EC 1.3.5.* inhibitor ChEBI EC 1.3.5.* inhibitors ChEBI inhibitor of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor ChEBI inhibitor of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) ChEBI inhibitors of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor ChEBI inhibitors of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) ChEBI oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitor ChEBI oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitors ChEBI An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116). Wikipedia:3'-hydroxy-N-methyl-(S)-coclaurine_4'-O-methyltransferase chebi_ontology 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116) inhibitor 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116) inhibitors EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitors EC 2.1.1.116 inhibitor EC 2.1.1.116 inhibitors S-adenosyl-L-methionine:3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase inhibitor S-adenosyl-L-methionine:3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase inhibitors CHEBI:77111 EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116) inhibitor ChEBI 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116) inhibitors ChEBI EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitors ChEBI EC 2.1.1.116 inhibitor ChEBI EC 2.1.1.116 inhibitors ChEBI S-adenosyl-L-methionine:3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase inhibitor ChEBI S-adenosyl-L-methionine:3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase inhibitors ChEBI An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-E2 9-reductase (EC 1.1.1.189). Wikipedia:Prostaglandin-E2_9-reductase chebi_ontology (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors 9-keto-prostaglandin E2 reductase inhibitor 9-keto-prostaglandin E2 reductase inhibitors 9-ketoprostaglandin reductase inhibitor 9-ketoprostaglandin reductase inhibitors EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors EC 1.1.1.189 inhibitor EC 1.1.1.189 inhibitors PGE-9-ketoreductase inhibitor PGE-9-ketoreductase inhibitors PGE2 9-oxoreductase inhibitor PGE2 9-oxoreductase inhibitors PGE2-9-OR inhibitor PGE2-9-OR inhibitors PGE2-9-ketoreductase inhibitor PGE2-9-ketoreductase inhibitors prostaglandin 9-ketoreductase inhibitor prostaglandin 9-ketoreductase inhibitors prostaglandin E 9-ketoreductase inhibitor prostaglandin E 9-ketoreductase inhibitors prostaglandin E2-9-oxoreductase inhibitor prostaglandin E2-9-oxoreductase inhibitors prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors reductase, 15-hydroxy-9-oxoprostaglandin inhibitor reductase, 15-hydroxy-9-oxoprostaglandin inhibitors CHEBI:77119 EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor ChEBI (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors ChEBI 9-keto-prostaglandin E2 reductase inhibitor ChEBI 9-keto-prostaglandin E2 reductase inhibitors ChEBI 9-ketoprostaglandin reductase inhibitor ChEBI 9-ketoprostaglandin reductase inhibitors ChEBI EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors ChEBI EC 1.1.1.189 inhibitor ChEBI EC 1.1.1.189 inhibitors ChEBI PGE-9-ketoreductase inhibitor ChEBI PGE-9-ketoreductase inhibitors ChEBI PGE2 9-oxoreductase inhibitor ChEBI PGE2 9-oxoreductase inhibitors ChEBI PGE2-9-OR inhibitor ChEBI PGE2-9-OR inhibitors ChEBI PGE2-9-ketoreductase inhibitor ChEBI PGE2-9-ketoreductase inhibitors ChEBI prostaglandin 9-ketoreductase inhibitor ChEBI prostaglandin 9-ketoreductase inhibitors ChEBI prostaglandin E 9-ketoreductase inhibitor ChEBI prostaglandin E 9-ketoreductase inhibitors ChEBI prostaglandin E2-9-oxoreductase inhibitor ChEBI prostaglandin E2-9-oxoreductase inhibitors ChEBI prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor ChEBI prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors ChEBI reductase, 15-hydroxy-9-oxoprostaglandin inhibitor ChEBI reductase, 15-hydroxy-9-oxoprostaglandin inhibitors ChEBI A 3-oxo-Delta(1) steroid containing an additional double bond between positions 4 and 5. 0 C19H25OR 269.402 269.19054 C12(C=CC(C=C1CCC3C2CCC4(C3CCC4*)C)=O)C chebi_ontology 3-oxo Delta(1),Delta(4)-steroid 3-oxo Delta(1),Delta(4)-steroids 3-oxo-Delta(1),Delta(4)-steroids 3-oxo-Delta(1,4)-steroid 3-oxo-Delta(1,4)-steroids a 3-oxo-Delta(1,4)-steroid CHEBI:77166 3-oxo-Delta(1),Delta(4)-steroid 3-oxo Delta(1),Delta(4)-steroid ChEBI 3-oxo Delta(1),Delta(4)-steroids ChEBI 3-oxo-Delta(1),Delta(4)-steroids ChEBI 3-oxo-Delta(1,4)-steroid ChEBI 3-oxo-Delta(1,4)-steroids ChEBI a 3-oxo-Delta(1,4)-steroid UniProt A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm. PMID:21756020 PMID:21838612 PMID:23901948 chebi_ontology biological stain biological stains histological dyes histological stain histological stains CHEBI:77178 histological dye PMID:21756020 Europe PMC PMID:21838612 Europe PMC PMID:23901948 Europe PMC biological stain ChEBI biological stains ChEBI histological dyes ChEBI histological stain ChEBI histological stains ChEBI A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199). Wikipedia:Food_coloring chebi_ontology food coloring food colorings food colourings CHEBI:77182 food colouring food coloring ChEBI food colorings ChEBI food colourings ChEBI An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33). Wikipedia:Pantothenate_kinase chebi_ontology ATP:(R)-pantothenate 4'-phosphotransferase inhibitor ATP:(R)-pantothenate 4'-phosphotransferase inhibitors ATP:pantothenate 4'-phosphotransferase inhibitor ATP:pantothenate 4'-phosphotransferase inhibitors D-pantothenate kinase inhibitor D-pantothenate kinase inhibitors EC 2.7.1.33 (pantothenate kinase) inhibitors EC 2.7.1.33 inhibitor EC 2.7.1.33 inhibitors pantothenate kinase (EC 2.7.1.33) inhibitor pantothenate kinase (EC 2.7.1.33) inhibitors pantothenate kinase (phosphorylating) inhibitor pantothenate kinase (phosphorylating) inhibitors pantothenic acid kinase inhibitor pantothenic acid kinase inhibitors CHEBI:77194 EC 2.7.1.33 (pantothenate kinase) inhibitor ATP:(R)-pantothenate 4'-phosphotransferase inhibitor ChEBI ATP:(R)-pantothenate 4'-phosphotransferase inhibitors ChEBI ATP:pantothenate 4'-phosphotransferase inhibitor ChEBI ATP:pantothenate 4'-phosphotransferase inhibitors ChEBI D-pantothenate kinase inhibitor ChEBI D-pantothenate kinase inhibitors ChEBI EC 2.7.1.33 (pantothenate kinase) inhibitors ChEBI EC 2.7.1.33 inhibitor ChEBI EC 2.7.1.33 inhibitors ChEBI pantothenate kinase (EC 2.7.1.33) inhibitor ChEBI pantothenate kinase (EC 2.7.1.33) inhibitors ChEBI pantothenate kinase (phosphorylating) inhibitor ChEBI pantothenate kinase (phosphorylating) inhibitors ChEBI pantothenic acid kinase inhibitor ChEBI pantothenic acid kinase inhibitors ChEBI An EC 3.4.24.* (metalloendopeptidase) inhibitor that interferes with the action of anthrax lethal factor endopeptidase (EC 3.4.24.83). Wikipedia:Anthrax_lethal_factor_endopeptidase chebi_ontology EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitors EC 3.4.24.83 inhibitor EC 3.4.24.83 inhibitors anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitor anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitors lethal toxin inhibitor lethal toxin inhibitors CHEBI:77255 EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitors ChEBI EC 3.4.24.83 inhibitor ChEBI EC 3.4.24.83 inhibitors ChEBI anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitor ChEBI anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitors ChEBI lethal toxin inhibitor ChEBI lethal toxin inhibitors ChEBI An imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group. 0 C11H12N2S InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 HLFSDGLLUJUHTE-UHFFFAOYSA-N 204.29100 204.07212 C1CN2CC(N=C2S1)c1ccccc1 LINCS:LSM-1579 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole chebi_ontology CHEBI:77278 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole IUPAC A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has R configuration. 0 C11H12N2S InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m0/s1 HLFSDGLLUJUHTE-JTQLQIEISA-N 204.29100 204.07212 C1CN2C[C@H](N=C2S1)c1ccccc1 CAS:14769-74-5 KEGG:D03708 PMID:189006 PMID:22337783 PMID:669135 PMID:7454609 Reaxys:5267119 (6R)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole chebi_ontology (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole (+)-tetramisole (R)-(+)-tetramisole dexamisol dexamisole dexamisolum CHEBI:77282 dexamisole CAS:14769-74-5 ChemIDplus PMID:189006 Europe PMC PMID:22337783 Europe PMC PMID:669135 Europe PMC PMID:7454609 Europe PMC Reaxys:5267119 Reaxys (6R)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole IUPAC (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole ChEBI (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole ChEBI (+)-tetramisole ChemIDplus (R)-(+)-tetramisole ChemIDplus dexamisol WHO_MedNet dexamisole WHO_MedNet dexamisolum WHO_MedNet Any protective agent that is able to prevent damage to the heart. chebi_ontology cardioprotective agents CHEBI:77307 cardioprotective agent cardioprotective agents ChEBI A member of the class of dithiocarbamate anions resulting from the deprotonation of both of the dithiocarbamic acid moieties of ethylenebis(dithiocarbamic acid). The major species at pH 7.3. -2 C4H6N2S4 InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)/p-2 AWYFNIZYMPNGAI-UHFFFAOYSA-L 210.36500 209.94248 [S-]C(=S)NCCNC([S-])=S ethane-1,2-diyldicarbamodithioate chebi_ontology ethylenebis(dithiocarbamic acid)(2-) CHEBI:77308 ethylenebis(dithiocarbamate) ethane-1,2-diyldicarbamodithioate IUPAC ethylenebis(dithiocarbamic acid)(2-) ChEBI A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3. -1 C22H27FN3O6S InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1 BPRHUIZQVSMCRT-VEUZHWNKSA-M 480.53000 480.16101 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate chebi_ontology rosuvastatin anion CHEBI:77313 rosuvastatin(1-) (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate IUPAC rosuvastatin anion ChEBI An agonist that selectively binds to and activates androstane receptors. Wikipedia:Constitutive_androstane_receptor chebi_ontology CAR agonist CAR agonists androstane receptor agonists constitutive androstane receptor agonist constitutive androstane receptor agonists CHEBI:77326 androstane receptor agonist CAR agonist ChEBI CAR agonists ChEBI androstane receptor agonists ChEBI constitutive androstane receptor agonist ChEBI constitutive androstane receptor agonists ChEBI A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. 0 C17H20N4S InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N 312.434 312.14087 N1=C(C2=C(NC3=CC=CC=C13)SC(=C2)C)N4CCN(CC4)C CAS:132539-06-1 DrugBank:DB00334 Drug_Central:1982 KEGG:C07322 KEGG:D00454 PMID:18022155 PMID:18504690 PMID:18792627 Patent:EP454436 Patent:US5229382 Reaxys:7655141 Wikipedia:Olanzapine 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine Olanzapine chebi_ontology Zyprexa olanzapina olanzapine olanzapinum CHEBI:7735 olanzapine CAS:132539-06-1 ChemIDplus Drug_Central:1982 DrugCentral PMID:18022155 Europe PMC PMID:18504690 Europe PMC PMID:18792627 Europe PMC Reaxys:7655141 Reaxys 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine IUPAC Olanzapine KEGG_COMPOUND Zyprexa DrugBank olanzapina ChEBI olanzapine ChEBI olanzapinum ChEBI Any member of the class of phosphonic acids in which a carbon atom is directly attached to two phosphonic acid groups. They are analogues of pyrophosphates (with the central oxygen atom replaced by a carbon atom) and like pyrophosphates they tend to have a strong affinity for bone, so are frequently used for their antiresorptive and hypocalcaemic properties. 0 CH4O6P2R2 173.98640 173.94831 OP(O)(=O)C([*])([*])P(O)(O)=O Wikipedia:Bisphosphonate chebi_ontology 1,1-bis(phosphonic acid)s 1,1-diphosphonate 1,1-diphosphonates 1,1-diphosphonic acid 1,1-diphosphonic acids bis(phosphonic acid) bis(phosphonic acid)s bisphosphonate bisphosphonates diphosphonic acid CHEBI:77383 1,1-bis(phosphonic acid) 1,1-bis(phosphonic acid)s ChEBI 1,1-diphosphonate ChEBI 1,1-diphosphonates ChEBI 1,1-diphosphonic acid ChEBI 1,1-diphosphonic acids ChEBI bis(phosphonic acid) ChEBI bis(phosphonic acid)s ChEBI bisphosphonate ChEBI bisphosphonates ChEBI diphosphonic acid ChEBI A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. 0 C20H21FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 WSEQXVZVJXJVFP-UHFFFAOYSA-N 324.39190 324.16379 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 CAS:59729-33-8 KEGG:C07572 KEGG:D07704 LINCS:LSM-1585 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile chebi_ontology CHEBI:77397 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile CAS:59729-33-8 KEGG COMPOUND 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile IUPAC An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of trypanothione-disulfide reductase (EC 1.8.1.12). Wikipedia:Trypanothione-disulfide_reductase chebi_ontology EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitors EC 1.8.1.12 inhibitor EC 1.8.1.12 inhibitors N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitor N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitors NADPH2:trypanothione oxidoreductase inhibitor NADPH2:trypanothione oxidoreductase inhibitors NADPH:trypanothione oxidoreductase inhibitor NADPH:trypanothione oxidoreductase inhibitors trypanothione reductase inhibitor trypanothione reductase inhibitors trypanothione-disulfide reductase (EC 1.8.1.12) inhibitor trypanothione-disulfide reductase (EC 1.8.1.12) inhibitors trypanothione:NADP(+) oxidoreductase inhibitor trypanothione:NADP(+) oxidoreductase inhibitors CHEBI:77402 EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitors ChEBI EC 1.8.1.12 inhibitor ChEBI EC 1.8.1.12 inhibitors ChEBI N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitor ChEBI N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitors ChEBI NADPH2:trypanothione oxidoreductase inhibitor ChEBI NADPH2:trypanothione oxidoreductase inhibitors ChEBI NADPH:trypanothione oxidoreductase inhibitor ChEBI NADPH:trypanothione oxidoreductase inhibitors ChEBI trypanothione reductase inhibitor ChEBI trypanothione reductase inhibitors ChEBI trypanothione-disulfide reductase (EC 1.8.1.12) inhibitor ChEBI trypanothione-disulfide reductase (EC 1.8.1.12) inhibitors ChEBI trypanothione:NADP(+) oxidoreductase inhibitor ChEBI trypanothione:NADP(+) oxidoreductase inhibitors ChEBI A 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of (R)-citalopram. +1 C20H22FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m1/s1 WSEQXVZVJXJVFP-HXUWFJFHSA-O 325.39930 325.17107 C[NH+](C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 3-[(1R)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium chebi_ontology CHEBI:77405 (R)-citalopram(1+) 3-[(1R)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium IUPAC A 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of escitalopram. +1 C20H22FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m0/s1 WSEQXVZVJXJVFP-FQEVSTJZSA-O 325.39930 325.17107 C[NH+](C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium chebi_ontology (S)-citalopram(1+) CHEBI:77406 escitalopram(1+) 3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium IUPAC (S)-citalopram(1+) ChEBI An ammonium ion resulting from the protonation of the tertiary amino group of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile. +1 C20H22FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1 WSEQXVZVJXJVFP-UHFFFAOYSA-O 325.39930 325.17107 C[NH+](C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium chebi_ontology CHEBI:77408 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium IUPAC An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-F synthase (EC 1.1.1.188). Wikipedia:Prostaglandin-F_synthase chebi_ontology (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 11-oxidoreductase inhibitor (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 11-oxidoreductase inhibitors EC 1.1.1.188 (prostaglandin-F synthase) inhibitors EC 1.1.1.188 inhibitor EC 1.1.1.188 inhibitors NADPH-dependent prostaglandin D2 11-keto reductase inhibitor NADPH-dependent prostaglandin D2 11-keto reductase inhibitors PGD2 11-ketoreductase inhibitor PGD2 11-ketoreductase inhibitors PGF synthetase inhibitor PGF synthetase inhibitors PGF2alpha synthetase inhibitor PGF2alpha synthetase inhibitors prostaglandin 11-keto reductase inhibitor prostaglandin 11-keto reductase inhibitors prostaglandin 11-ketoreductase inhibitor prostaglandin 11-ketoreductase inhibitors prostaglandin D2-ketoreductase inhibitor prostaglandin D2-ketoreductase inhibitors prostaglandin F synthase inhibitor prostaglandin F synthase inhibitors prostaglandin F synthetase inhibitor prostaglandin F synthetase inhibitors prostaglandin-D2 11-reductase inhibitor prostaglandin-D2 11-reductase inhibitors reductase, 15-hydroxy-11-oxoprostaglandin inhibitor reductase, 15-hydroxy-11-oxoprostaglandin inhibitors synthetase, prostaglandin F2alpha inhibitor synthetase, prostaglandin F2alpha inhibitors CHEBI:77425 EC 1.1.1.188 (prostaglandin-F synthase) inhibitor (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 11-oxidoreductase inhibitor ChEBI (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 11-oxidoreductase inhibitors ChEBI EC 1.1.1.188 (prostaglandin-F synthase) inhibitors ChEBI EC 1.1.1.188 inhibitor ChEBI EC 1.1.1.188 inhibitors ChEBI NADPH-dependent prostaglandin D2 11-keto reductase inhibitor ChEBI NADPH-dependent prostaglandin D2 11-keto reductase inhibitors ChEBI PGD2 11-ketoreductase inhibitor ChEBI PGD2 11-ketoreductase inhibitors ChEBI PGF synthetase inhibitor ChEBI PGF synthetase inhibitors ChEBI PGF2alpha synthetase inhibitor ChEBI PGF2alpha synthetase inhibitors ChEBI prostaglandin 11-keto reductase inhibitor ChEBI prostaglandin 11-keto reductase inhibitors ChEBI prostaglandin 11-ketoreductase inhibitor ChEBI prostaglandin 11-ketoreductase inhibitors ChEBI prostaglandin D2-ketoreductase inhibitor ChEBI prostaglandin D2-ketoreductase inhibitors ChEBI prostaglandin F synthase inhibitor ChEBI prostaglandin F synthase inhibitors ChEBI prostaglandin F synthetase inhibitor ChEBI prostaglandin F synthetase inhibitors ChEBI prostaglandin-D2 11-reductase inhibitor ChEBI prostaglandin-D2 11-reductase inhibitors ChEBI reductase, 15-hydroxy-11-oxoprostaglandin inhibitor ChEBI reductase, 15-hydroxy-11-oxoprostaglandin inhibitors ChEBI synthetase, prostaglandin F2alpha inhibitor ChEBI synthetase, prostaglandin F2alpha inhibitors ChEBI A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any dicarboxylic acid monoamide; major species at pH 7.3. -1 C2H2NO3R 88.042 88.00347 NC(=O)[*]C([O-])=O MetaCyc:DICARBOXYLIC-ACID-MONOAMIDES chebi_ontology a monoamide of a dicarboxylate CHEBI:77450 dicarboxylic acid monoamide(1-) a monoamide of a dicarboxylate UniProt An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25). Wikipedia:Shikimate_dehydrogenase chebi_ontology 5-dehydroshikimate reductase inhibitor 5-dehydroshikimate reductase inhibitors 5-dehydroshikimic reductase inhibitor 5-dehydroshikimic reductase inhibitors AroE inhibitor AroE inhibitors DHS reductase inhibitor DHS reductase inhibitors EC 1.1.1.25 (shikimate dehydrogenase) inhibitors EC 1.1.1.25 inhibitor EC 1.1.1.25 inhibitors dehydroshikimic reductase inhibitor dehydroshikimic reductase inhibitors shikimate 5-dehydrogenase inhibitor shikimate 5-dehydrogenase inhibitors shikimate dehydrogenase (EC 1.1.1.25) inhibitor shikimate dehydrogenase (EC 1.1.1.25) inhibitors shikimate dehydrogenase inhibitor shikimate dehydrogenase inhibitors shikimate oxidoreductase inhibitor shikimate oxidoreductase inhibitors shikimate:NADP(+) 3-oxidoreductase inhibitor shikimate:NADP(+) 3-oxidoreductase inhibitors shikimate:NADP(+) 5-oxidoreductase inhibitor shikimate:NADP(+) 5-oxidoreductase inhibitors shikimate:NADP(+) oxidoreductase inhibitor shikimate:NADP(+) oxidoreductase inhibitors CHEBI:77484 EC 1.1.1.25 (shikimate dehydrogenase) inhibitor 5-dehydroshikimate reductase inhibitor ChEBI 5-dehydroshikimate reductase inhibitors ChEBI 5-dehydroshikimic reductase inhibitor ChEBI 5-dehydroshikimic reductase inhibitors ChEBI AroE inhibitor ChEBI AroE inhibitors ChEBI DHS reductase inhibitor ChEBI DHS reductase inhibitors ChEBI EC 1.1.1.25 (shikimate dehydrogenase) inhibitors ChEBI EC 1.1.1.25 inhibitor ChEBI EC 1.1.1.25 inhibitors ChEBI dehydroshikimic reductase inhibitor ChEBI dehydroshikimic reductase inhibitors ChEBI shikimate 5-dehydrogenase inhibitor ChEBI shikimate 5-dehydrogenase inhibitors ChEBI shikimate dehydrogenase (EC 1.1.1.25) inhibitor ChEBI shikimate dehydrogenase (EC 1.1.1.25) inhibitors ChEBI shikimate dehydrogenase inhibitor ChEBI shikimate dehydrogenase inhibitors ChEBI shikimate oxidoreductase inhibitor ChEBI shikimate oxidoreductase inhibitors ChEBI shikimate:NADP(+) 3-oxidoreductase inhibitor ChEBI shikimate:NADP(+) 3-oxidoreductase inhibitors ChEBI shikimate:NADP(+) 5-oxidoreductase inhibitor ChEBI shikimate:NADP(+) 5-oxidoreductase inhibitors ChEBI shikimate:NADP(+) oxidoreductase inhibitor ChEBI shikimate:NADP(+) oxidoreductase inhibitors ChEBI A secondary alcohol that is 2-butanol carrying an additional methyl substituent at position 3. 0 C5H12O InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 MXLMTQWGSQIYOW-UHFFFAOYSA-N 88.14820 88.08882 CC(C)C(C)O CAS:598-75-4 HMDB:HMDB0033777 PMID:16833644 PMID:22752178 Reaxys:1718800 Wikipedia:3-Methyl-2-butanol 3-methylbutan-2-ol chebi_ontology (+/-)-3-Methyl-2-butanol (CH3)2CHCH(OH)CH3 1,2-Dimethyl-1-propanol 1,2-Dimethylpropanol 2-Methyl-3-butanol DL-3-Methyl-2-butanol Isopropylmethylcarbinol Methylisopropylcarbinol sec-Isoamyl alcohol CHEBI:77517 3-methyl-2-butanol CAS:598-75-4 ChemIDplus CAS:598-75-4 NIST Chemistry WebBook PMID:16833644 Europe PMC PMID:22752178 Europe PMC Reaxys:1718800 Reaxys 3-methylbutan-2-ol IUPAC (+/-)-3-Methyl-2-butanol NIST_Chemistry_WebBook (CH3)2CHCH(OH)CH3 NIST_Chemistry_WebBook 1,2-Dimethyl-1-propanol NIST_Chemistry_WebBook 1,2-Dimethylpropanol ChemIDplus 2-Methyl-3-butanol ChemIDplus DL-3-Methyl-2-butanol HMDB Isopropylmethylcarbinol ChemIDplus Methylisopropylcarbinol ChemIDplus sec-Isoamyl alcohol ChemIDplus Any product obtained as a result of thermally induced non-enzymatic degradation. chebi_ontology thermal artefact thermal artefacts thermal degradation products CHEBI:77521 thermal degradation product thermal artefact ChEBI thermal artefacts ChEBI thermal degradation products ChEBI Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products). PMID:23588491 PMID:23612540 PMID:24246231 Wikipedia:Maillard_reaction chebi_ontology Maillard product Maillard products maillard reaction products CHEBI:77523 Maillard reaction product PMID:23588491 Europe PMC PMID:23612540 Europe PMC PMID:24246231 Europe PMC Maillard product ChEBI Maillard products ChEBI maillard reaction products ChEBI An sn-glycerol 3-phosphate(2-) resulting from partial hydrolysis of a phosphatidate, which removes one of the fatty acid groups. -2 C4H6O7PR 168.042 167.98237 [O-]P([O-])(=O)OC[C@@H](CO[*])O[*] chebi_ontology monoacyl-sn-glycero-3-phosphate CHEBI:77589 monoacyl-sn-glycerol 3-phosphate(2-) monoacyl-sn-glycero-3-phosphate UniProt A diuretic that acts on the ascending loop of Henle in the kidney. Wikipedia:Loop_diuretic chebi_ontology loop diuretics CHEBI:77608 loop diuretic loop diuretics ChEBI An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of 1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267). Wikipedia:DXP_reductoisomerase chebi_ontology 1-deoxy-D-xylulose-5-phosphate isomeroreductase inhibitor 1-deoxy-D-xylulose-5-phosphate isomeroreductase inhibitors 1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267) inhibitor 1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267) inhibitors 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitor 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors 1-deoxyxylulose-5-phosphate reductoisomerase inhibitor 1-deoxyxylulose-5-phosphate reductoisomerase inhibitors 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerising) inhibitor 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerising) inhibitors 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerizing) inhibitor 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerizing) inhibitors 2C-methyl-D-erythritol-4-phosphate (MEP) synthase inhibitor 2C-methyl-D-erythritol-4-phosphate (MEP) synthase inhibitors DXP-reductoisomerase inhibitor DXP-reductoisomerase inhibitors EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitors EC 1.1.1.267 inhibitor EC 1.1.1.267 inhibitors CHEBI:77654 EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor 1-deoxy-D-xylulose-5-phosphate isomeroreductase inhibitor ChEBI 1-deoxy-D-xylulose-5-phosphate isomeroreductase inhibitors ChEBI 1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267) inhibitor ChEBI 1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267) inhibitors ChEBI 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitor ChEBI 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors ChEBI 1-deoxyxylulose-5-phosphate reductoisomerase inhibitor ChEBI 1-deoxyxylulose-5-phosphate reductoisomerase inhibitors ChEBI 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerising) inhibitor ChEBI 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerising) inhibitors ChEBI 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerizing) inhibitor ChEBI 2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerizing) inhibitors ChEBI 2C-methyl-D-erythritol-4-phosphate (MEP) synthase inhibitor ChEBI 2C-methyl-D-erythritol-4-phosphate (MEP) synthase inhibitors ChEBI DXP-reductoisomerase inhibitor ChEBI DXP-reductoisomerase inhibitors ChEBI EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitors ChEBI EC 1.1.1.267 inhibitor ChEBI EC 1.1.1.267 inhibitors ChEBI A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. 0 C2H4O2 InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3 TZIHFWKZFHZASV-UHFFFAOYSA-N 60.05200 60.02113 COC=O CAS:107-31-3 PMID:21969072 PMID:23268565 Reaxys:1734623 methyl formate chebi_ontology HCO2CH3 HCOOCH3 Methylformiat R-611 formiate de methyle formic acid methyl ester methanoic acid methyl ester methyl methanoate CHEBI:77699 methyl formate CAS:107-31-3 ChemIDplus CAS:107-31-3 NIST Chemistry WebBook PMID:21969072 Europe PMC PMID:23268565 Europe PMC Reaxys:1734623 Reaxys methyl formate IUPAC methyl formate UniProt HCO2CH3 ChEBI HCOOCH3 NIST_Chemistry_WebBook Methylformiat ChemIDplus R-611 ChEBI formiate de methyle ChemIDplus formic acid methyl ester NIST_Chemistry_WebBook methanoic acid methyl ester NIST_Chemistry_WebBook methyl methanoate NIST_Chemistry_WebBook An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils. 0 C3H6O2 InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 KXKVLQRXCPHEJC-UHFFFAOYSA-N 74.07850 74.03678 COC(C)=O CAS:79-20-9 HMDB:HMDB0031523 KEGG:C17530 MetaCyc:METHYL-ACETATE PMID:1323358 PMID:14168434 PMID:22869894 PMID:23340101 PMID:23602747 PMID:23862653 Reaxys:1736662 Wikipedia:Methyl_acetate methyl acetate chebi_ontology AcOMe CH3CO2CH3 CH3COOCH3 Devoton MeOAc Methylacetat Tereton acetate de methyle acetic acid methyl ester methyl ethanoate CHEBI:77700 methyl acetate CAS:79-20-9 ChemIDplus CAS:79-20-9 KEGG COMPOUND CAS:79-20-9 NIST Chemistry WebBook PMID:1323358 Europe PMC PMID:14168434 Europe PMC PMID:22869894 Europe PMC PMID:23340101 Europe PMC PMID:23602747 Europe PMC PMID:23862653 Europe PMC Reaxys:1736662 Reaxys methyl acetate IUPAC methyl acetate UniProt AcOMe ChEBI CH3CO2CH3 ChEBI CH3COOCH3 ChEBI Devoton KEGG_COMPOUND MeOAc ChEBI Methylacetat ChemIDplus Tereton KEGG_COMPOUND acetate de methyle ChemIDplus acetic acid methyl ester ChemIDplus methyl ethanoate NIST_Chemistry_WebBook A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. 0 CH3NO2 InChI=1S/CH3NO2/c1-2(3)4/h1H3 LYGJENNIWJXYER-UHFFFAOYSA-N 61.04000 61.01638 C[N+]([O-])=O CAS:75-52-5 KEGG:C19275 MetaCyc:CPD-8133 PMID:11100413 PMID:21860501 PMID:26735907 PMID:26800205 PMID:4207867 PMID:999282 Reaxys:1698205 Wikipedia:Nitromethane nitromethane chebi_ontology CH3NO2 MeNO2 CHEBI:77701 nitromethane CAS:75-52-5 ChemIDplus CAS:75-52-5 KEGG COMPOUND CAS:75-52-5 NIST Chemistry WebBook PMID:11100413 Europe PMC PMID:21860501 Europe PMC PMID:26735907 Europe PMC PMID:26800205 Europe PMC PMID:4207867 Europe PMC PMID:999282 Europe PMC Reaxys:1698205 Reaxys nitromethane IUPAC CH3NO2 ChEBI MeNO2 ChEBI An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3). Wikipedia:Histidine_ammonia-lyase chebi_ontology EC 4.3.1.3 (histidine ammonia-lyase) inhibitors EC 4.3.1.3 inhibitor EC 4.3.1.3 inhibitors L-histidine ammonia-lyase (urocanate-forming) inhibitor L-histidine ammonia-lyase (urocanate-forming) inhibitors L-histidine ammonia-lyase inhibitor L-histidine ammonia-lyase inhibitors histidase inhibitor histidase inhibitors histidinase inhibitor histidinase inhibitors histidine alpha-deaminase inhibitor histidine alpha-deaminase inhibitors histidine ammonia-lyase (EC 4.3.1.3) inhibitor histidine ammonia-lyase (EC 4.3.1.3) inhibitors histidine ammonia-lyase inhibitor histidine ammonia-lyase inhibitors CHEBI:77703 EC 4.3.1.3 (histidine ammonia-lyase) inhibitor EC 4.3.1.3 (histidine ammonia-lyase) inhibitors ChEBI EC 4.3.1.3 inhibitor ChEBI EC 4.3.1.3 inhibitors ChEBI L-histidine ammonia-lyase (urocanate-forming) inhibitor ChEBI L-histidine ammonia-lyase (urocanate-forming) inhibitors ChEBI L-histidine ammonia-lyase inhibitor ChEBI L-histidine ammonia-lyase inhibitors ChEBI histidase inhibitor ChEBI histidase inhibitors ChEBI histidinase inhibitor ChEBI histidinase inhibitors ChEBI histidine alpha-deaminase inhibitor ChEBI histidine alpha-deaminase inhibitors ChEBI histidine ammonia-lyase (EC 4.3.1.3) inhibitor ChEBI histidine ammonia-lyase (EC 4.3.1.3) inhibitors ChEBI histidine ammonia-lyase inhibitor ChEBI histidine ammonia-lyase inhibitors ChEBI Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the action of any omega-peptidase (EC 3.4.19.*). chebi_ontology EC 3.4.19.* (omega-peptidase) inhibitors EC 3.4.19.* inhibitor EC 3.4.19.* inhibitors omega-peptidase (EC 3.4.19.*) inhibitor omega-peptidase (EC 3.4.19.*) inhibitors omega-peptidase inhibitor omega-peptidase inhibitors CHEBI:77705 EC 3.4.19.* (omega-peptidase) inhibitor EC 3.4.19.* (omega-peptidase) inhibitors ChEBI EC 3.4.19.* inhibitor ChEBI EC 3.4.19.* inhibitors ChEBI omega-peptidase (EC 3.4.19.*) inhibitor ChEBI omega-peptidase (EC 3.4.19.*) inhibitors ChEBI omega-peptidase inhibitor ChEBI omega-peptidase inhibitors ChEBI An EC 3.4.19.* (omega-peptidase) inhibitor that interferes with the action of pyroglutamyl-peptidase I (EC 3.4.19.3). Wikipedia:Pyroglutamyl-peptidase_I chebi_ontology 5-oxoprolyl-peptidase inhibitors EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitors EC 3.4.19.3 inhibitor EC 3.4.19.3 inhibitors L-pyroglutamyl peptide hydrolase inhibitor L-pyroglutamyl peptide hydrolase inhibitors L-pyrrolidonecarboxylate peptidase inhibitor L-pyrrolidonecarboxylate peptidase inhibitors pyrase inhibitor pyrase inhibitors pyroglutamate aminopeptidase inhibitor pyroglutamate aminopeptidase inhibitors pyroglutamidase inhibitor pyroglutamidase inhibitors pyroglutamyl aminopeptidase inhibitor pyroglutamyl aminopeptidase inhibitors pyroglutamyl-peptidase I (EC 3.4.19.3) inhibitor pyroglutamyl-peptidase I (EC 3.4.19.3) inhibitors pyroglutamyl-peptidase I inhibitor pyroglutamyl-peptidase I inhibitors pyrrolidone-carboxyl peptidase inhibitor pyrrolidone-carboxyl peptidase inhibitors pyrrolidonecarboxylyl peptidase inhibitor pyrrolidonecarboxylyl peptidase inhibitors pyrrolidonyl peptidase inhibitor pyrrolidonyl peptidase inhibitors5-oxoprolyl-peptidase inhibitor CHEBI:77706 EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor 5-oxoprolyl-peptidase inhibitors ChEBI EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitors ChEBI EC 3.4.19.3 inhibitor ChEBI EC 3.4.19.3 inhibitors ChEBI L-pyroglutamyl peptide hydrolase inhibitor ChEBI L-pyroglutamyl peptide hydrolase inhibitors ChEBI L-pyrrolidonecarboxylate peptidase inhibitor ChEBI L-pyrrolidonecarboxylate peptidase inhibitors ChEBI pyrase inhibitor ChEBI pyrase inhibitors ChEBI pyroglutamate aminopeptidase inhibitor ChEBI pyroglutamate aminopeptidase inhibitors ChEBI pyroglutamidase inhibitor ChEBI pyroglutamidase inhibitors ChEBI pyroglutamyl aminopeptidase inhibitor ChEBI pyroglutamyl aminopeptidase inhibitors ChEBI pyroglutamyl-peptidase I (EC 3.4.19.3) inhibitor ChEBI pyroglutamyl-peptidase I (EC 3.4.19.3) inhibitors ChEBI pyroglutamyl-peptidase I inhibitor ChEBI pyroglutamyl-peptidase I inhibitors ChEBI pyrrolidone-carboxyl peptidase inhibitor ChEBI pyrrolidone-carboxyl peptidase inhibitors ChEBI pyrrolidonecarboxylyl peptidase inhibitor ChEBI pyrrolidonecarboxylyl peptidase inhibitors ChEBI pyrrolidonyl peptidase inhibitor ChEBI pyrrolidonyl peptidase inhibitors5-oxoprolyl-peptidase inhibitor ChEBI A drug used to relieve nasal congestion in the upper respiratory tract. Wikipedia:Decongestant chebi_ontology decongestant decongestants nasal decongestants CHEBI:77715 nasal decongestant decongestant ChEBI decongestants ChEBI nasal decongestants ChEBI A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. 0 C27H38N2O4 InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N 454.60160 454.28316 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC CAS:52-53-9 KEGG:C07188 KEGG:D02356 LINCS:LSM-1298 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chebi_ontology CHEBI:77733 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile CAS:52-53-9 KEGG COMPOUND 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile IUPAC A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil. 0 C27H38N2O4 InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1 SGTNSNPWRIOYBX-HHHXNRCGSA-N 454.60160 454.28316 COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC CAS:38321-02-7 PMID:7636539 PMID:8698736 PMID:8698738 PMID:8698739 PMID:8698740 PMID:8712693 Reaxys:3657914 (2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chebi_ontology (+)-(2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile (+)-(R)-5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile (+)-(R)-verapamil (+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile (+)-3-(3,4-dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile (+)-verapamil (2R)-(+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile (R)-(+)-verapamil (R)-verapamil dexverapamil dexverapamilo dexverapamilum CHEBI:77734 dexverapamil CAS:38321-02-7 ChemIDplus PMID:7636539 Europe PMC PMID:8698736 Europe PMC PMID:8698738 Europe PMC PMID:8698739 Europe PMC PMID:8698740 Europe PMC PMID:8712693 Europe PMC Reaxys:3657914 Reaxys (2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile IUPAC (+)-(2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile ChEBI (+)-(R)-5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile ChemIDplus (+)-(R)-verapamil ChEBI (+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile ChEBI (+)-3-(3,4-dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile ChEBI (+)-verapamil ChEBI (2R)-(+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile ChEBI (R)-(+)-verapamil ChEBI (R)-verapamil ChEBI dexverapamil WHO_MedNet dexverapamilo WHO_MedNet dexverapamilum WHO_MedNet A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration. 0 C27H38N2O4 InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1 SGTNSNPWRIOYBX-MHZLTWQESA-N 454.60160 454.28316 COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Reaxys:5314473 (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chebi_ontology (-)-(S)-verapamil (-)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile (-)-verapamil (S)-(-)-verapamil CHEBI:77736 (S)-verapamil Reaxys:5314473 Reaxys (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile IUPAC (-)-(S)-verapamil ChEBI (-)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile ChEBI (-)-verapamil ChEBI (S)-(-)-verapamil ChEBI An ammonium ion resulting from the protonation of the tertiary amino group of dexverapamil. +1 C27H39N2O4 InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m1/s1 SGTNSNPWRIOYBX-HHHXNRCGSA-O 455.60900 455.29043 COc1ccc(CC[NH+](C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC (4R)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium chebi_ontology (R)-verapamil(1+) CHEBI:77737 dexverapamil(1+) (4R)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium IUPAC (R)-verapamil(1+) ChEBI An ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil. (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium (S)-verapamil(1+) chebi_ontology CHEBI:77738 (S)-verapamil(1+) (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium IUPAC (S)-verapamil(1+) ChEBI An EC 3.4.24.* (metalloendopeptidase) inhibitor that inhibits the action of meprin A (EC 3.4.24.18). Wikipedia:Meprin_A chebi_ontology EC 3.4.24.18 (meprin A) inhibitors EC 3.4.24.18 inhibitor EC 3.4.24.18 inhibitors N-benzoyl-L-tyrosyl-p-aminobenzoic acid hydrolase inhibitor N-benzoyl-L-tyrosyl-p-aminobenzoic acid hydrolase inhibitors PABA-peptide hydrolase inhibitor PABA-peptide hydrolase inhibitors PPH inhibitor PPH inhibitors endopeptidase-2 inhibitor endopeptidase-2 inhibitors meprin A (EC 3.4.24.18) inhibitor meprin A (EC 3.4.24.18) inhibitors meprin A inhibitor meprin A inhibitors meprin inhibitor meprin inhibitors meprin-a inhibitor meprin-a inhibitors CHEBI:77745 EC 3.4.24.18 (meprin A) inhibitor EC 3.4.24.18 (meprin A) inhibitors ChEBI EC 3.4.24.18 inhibitor ChEBI EC 3.4.24.18 inhibitors ChEBI N-benzoyl-L-tyrosyl-p-aminobenzoic acid hydrolase inhibitor ChEBI N-benzoyl-L-tyrosyl-p-aminobenzoic acid hydrolase inhibitors ChEBI PABA-peptide hydrolase inhibitor ChEBI PABA-peptide hydrolase inhibitors ChEBI PPH inhibitor ChEBI PPH inhibitors ChEBI endopeptidase-2 inhibitor ChEBI endopeptidase-2 inhibitors ChEBI meprin A (EC 3.4.24.18) inhibitor ChEBI meprin A (EC 3.4.24.18) inhibitors ChEBI meprin A inhibitor ChEBI meprin A inhibitors ChEBI meprin inhibitor ChEBI meprin inhibitors ChEBI meprin-a inhibitor ChEBI meprin-a inhibitors ChEBI Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). CHEBI:75770 CHEBI:77123 chebi_ontology H. sapiens metabolite H. sapiens metabolites Homo sapiens metabolite Homo sapiens metabolites CHEBI:77746 human metabolite H. sapiens metabolite ChEBI H. sapiens metabolites ChEBI Homo sapiens metabolite ChEBI Homo sapiens metabolites ChEBI An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of phospholipid-translocating ATPase (EC 3.6.3.1). Wikipedia:Phospholipid-translocating_ATPase chebi_ontology ATP phosphohydrolase (phospholipid-flipping) inhibitor ATP phosphohydrolase (phospholipid-flipping) inhibitors EC 3.6.3.1 (phospholipid-translocating ATPase) inhibitors EC 3.6.3.1 inhibitor EC 3.6.3.1 inhibitors Mg(2)(+)-ATPase inhibitor Mg(2)(+)-ATPase inhibitors aminophospholipid-transporting ATPase inhibitor aminophospholipid-transporting ATPase inhibitors flippase inhibitor flippase inhibitors magnesium-ATPase inhibitor magnesium-ATPase inhibitors phospholipid-translocating ATPase (EC 3.6.3.1) inhibitor phospholipid-translocating ATPase (EC 3.6.3.1) inhibitors phospholipid-translocating ATPase inhibitor phospholipid-translocating ATPase inhibitors phospholipid-transporting ATPase inhibitor phospholipid-transporting ATPase inhibitors CHEBI:77747 EC 3.6.3.1 (phospholipid-translocating ATPase) inhibitor ATP phosphohydrolase (phospholipid-flipping) inhibitor ChEBI ATP phosphohydrolase (phospholipid-flipping) inhibitors ChEBI EC 3.6.3.1 (phospholipid-translocating ATPase) inhibitors ChEBI EC 3.6.3.1 inhibitor ChEBI EC 3.6.3.1 inhibitors ChEBI Mg(2)(+)-ATPase inhibitor ChEBI Mg(2)(+)-ATPase inhibitors ChEBI aminophospholipid-transporting ATPase inhibitor ChEBI aminophospholipid-transporting ATPase inhibitors ChEBI flippase inhibitor ChEBI flippase inhibitors ChEBI magnesium-ATPase inhibitor ChEBI magnesium-ATPase inhibitors ChEBI phospholipid-translocating ATPase (EC 3.6.3.1) inhibitor ChEBI phospholipid-translocating ATPase (EC 3.6.3.1) inhibitors ChEBI phospholipid-translocating ATPase inhibitor ChEBI phospholipid-translocating ATPase inhibitors ChEBI phospholipid-transporting ATPase inhibitor ChEBI phospholipid-transporting ATPase inhibitors ChEBI An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of xenobiotic-transporting ATPase (EC 3.6.3.44). Wikipedia:Xenobiotic-transporting_ATPase chebi_ontology ATP phosphohydrolase (steroid-exporting) inhibitor ATP phosphohydrolase (steroid-exporting) inhibitors ATP phosphohydrolase (xenobiotic-exporting) inhibitor ATP phosphohydrolase (xenobiotic-exporting) inhibitors EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitors EC 3.6.3.44 inhibitor EC 3.6.3.44 inhibitors MDR protein inhibitor MDR protein inhibitors P-glycoprotein inhibitor P-glycoprotein inhibitors PDR protein inhibitor PDR protein inhibitors multidrug-resistance protein inhibitor multidrug-resistance protein inhibitors pleiotropic-drug-resistance protein inhibitor pleiotropic-drug-resistance protein inhibitors steroid-transporting ATPase inhibitor steroid-transporting ATPase inhibitors xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitor xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitors xenobiotic-transporting ATPase inhibitor xenobiotic-transporting ATPase inhibitors CHEBI:77748 EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor ATP phosphohydrolase (steroid-exporting) inhibitor ChEBI ATP phosphohydrolase (steroid-exporting) inhibitors ChEBI ATP phosphohydrolase (xenobiotic-exporting) inhibitor ChEBI ATP phosphohydrolase (xenobiotic-exporting) inhibitors ChEBI EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitors ChEBI EC 3.6.3.44 inhibitor ChEBI EC 3.6.3.44 inhibitors ChEBI MDR protein inhibitor ChEBI MDR protein inhibitors ChEBI P-glycoprotein inhibitor ChEBI P-glycoprotein inhibitors ChEBI PDR protein inhibitor ChEBI PDR protein inhibitors ChEBI multidrug-resistance protein inhibitor ChEBI multidrug-resistance protein inhibitors ChEBI pleiotropic-drug-resistance protein inhibitor ChEBI pleiotropic-drug-resistance protein inhibitors ChEBI steroid-transporting ATPase inhibitor ChEBI steroid-transporting ATPase inhibitors ChEBI xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitor ChEBI xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitors ChEBI xenobiotic-transporting ATPase inhibitor ChEBI xenobiotic-transporting ATPase inhibitors ChEBI A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom. 0 C12H16ClNOS InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3 LLLFASISUZUJEQ-UHFFFAOYSA-N 257.78000 257.06411 CCN(CC)C(=O)SCc1ccccc1Cl CAS:34622-58-7 KEGG:C11087 PPDB:493 Patent:WO2004010784 Patent:WO2009053095 Pesticides:orbencarb Reaxys:1968914 S-(2-chlorobenzyl) diethylcarbamothioate chebi_ontology Diethylthiocarbamic acid S-(o-chlorobenzyl) ester S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate CHEBI:7778 orbencarb CAS:34622-58-7 ChemIDplus CAS:34622-58-7 KEGG COMPOUND Pesticides:orbencarb Alan Wood's Pesticides Reaxys:1968914 Reaxys S-(2-chlorobenzyl) diethylcarbamothioate IUPAC Diethylthiocarbamic acid S-(o-chlorobenzyl) ester ChemIDplus S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate ChemIDplus A highly complex mixture of several hundred polychlorinated compounds obtained by chlorination of camphene to an overall chlorine content of 67-69% by weight and having an overall empirical formula of C10H10Cl8 (including optical isomers, it could theoretically contain over 32,000 congeners). Toxaphene was used from the mid-1940s as an agricultural insecticide (mostly in the USA, particularly on corn and soybeans). Use increased with the phasing out of DDT in the 1970s (it became the most heavily manufactured pesticide in the US) but it is now banned due to concerns about toxicity and carcinogenicity. Total production since its first use is estimated at around 500,000 tons. In the environment, most of the components of toxaphene get metabolised, but from 10 to >100 resist biodegradation, depending on the medium and the specialisation of the enzyme system. Breathing, drinking or eating high levels of toxaphene can damage the lungs, kidneys, and nervous system. CAS:8001-35-2 KEGG:C15470 PMID:11254057 PMID:15295903 PMID:20221755 PMID:21470655 PMID:21863113 PMID:22162326 PMID:22366425 PMID:22498080 PMID:23859873 PMID:23939819 PMID:24056452 PMID:24164036 PMID:24274290 PMID:385896 Patent:US2565471 Reaxys:8188730 Wikipedia:Toxaphene chebi_ontology Camphechlor Toxaphen camphechlor camphechlore chlorinated camphene chlorocamphene polychlorocamphene CHEBI:77850 toxaphene CAS:8001-35-2 ChemIDplus CAS:8001-35-2 KEGG COMPOUND PMID:11254057 Europe PMC PMID:15295903 Europe PMC PMID:20221755 Europe PMC PMID:21470655 Europe PMC PMID:21863113 Europe PMC PMID:22162326 Europe PMC PMID:22366425 Europe PMC PMID:22498080 Europe PMC PMID:23859873 Europe PMC PMID:23939819 Europe PMC PMID:24056452 Europe PMC PMID:24164036 Europe PMC PMID:24274290 Europe PMC PMID:385896 Europe PMC Reaxys:8188730 Reaxys Camphechlor KEGG_COMPOUND Toxaphen ChemIDplus camphechlor ChemIDplus camphechlore ChemIDplus chlorinated camphene ChemIDplus chlorocamphene ChemIDplus polychlorocamphene ChemIDplus Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. Wikipedia:Persistant_organic_pollutant chebi_ontology POP POPs persistent organic pollutants CHEBI:77853 persistent organic pollutant POP ChEBI POPs ChEBI persistent organic pollutants ChEBI An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of diaminopropionate ammonia-lyase (EC 4.3.1.15). Wikipedia:Diaminopropionate_ammonia-lyase chebi_ontology 2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitor 2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitors 2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitor 2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitors 2,3-diaminopropanoate ammonia-lyase inhibitor 2,3-diaminopropanoate ammonia-lyase inhibitors 2,3-diaminopropionate ammonia-lyase inhibitor 2,3-diaminopropionate ammonia-lyase inhibitors EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitors EC 4.3.1.15 inhibitor EC 4.3.1.15 inhibitors alpha,beta-diaminopropionate ammonia-lyase inhibitor alpha,beta-diaminopropionate ammonia-lyase inhibitors diaminopropionatase inhibitor diaminopropionatase inhibitors diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitor diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitors diaminopropionate ammonia-lyase inhibitor diaminopropionate ammonia-lyase inhibitors CHEBI:77881 EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor 2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitor ChEBI 2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitors ChEBI 2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitor ChEBI 2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitors ChEBI 2,3-diaminopropanoate ammonia-lyase inhibitor ChEBI 2,3-diaminopropanoate ammonia-lyase inhibitors ChEBI 2,3-diaminopropionate ammonia-lyase inhibitor ChEBI 2,3-diaminopropionate ammonia-lyase inhibitors ChEBI EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitors ChEBI EC 4.3.1.15 inhibitor ChEBI EC 4.3.1.15 inhibitors ChEBI alpha,beta-diaminopropionate ammonia-lyase inhibitor ChEBI alpha,beta-diaminopropionate ammonia-lyase inhibitors ChEBI diaminopropionatase inhibitor ChEBI diaminopropionatase inhibitors ChEBI diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitor ChEBI diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitors ChEBI diaminopropionate ammonia-lyase inhibitor ChEBI diaminopropionate ammonia-lyase inhibitors ChEBI An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14alpha-demethylase). Wikipedia:Sterol_14-demethylase chebi_ontology EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitors EC 1.14.13.70 inhibitor EC 1.14.13.70 inhibitors cytochrome P450 51 inhibitor cytochrome P450 51 inhibitors lanosterol 14-demethylase inhibitor lanosterol 14-demethylase inhibitors lanosterol 14alpha-demethylase inhibitor lanosterol 14alpha-demethylase inhibitors obtusufoliol 14-demethylase inhibitor obtusufoliol 14-demethylase inhibitors sterol 14-demethylase inhibitor sterol 14-demethylase inhibitors sterol 14alpha-demethylase inhibitor sterol 14alpha-demethylase inhibitors sterol,NADPH:oxygen oxidoreductase (14-methyl cleaving) inhibitor sterol,NADPH:oxygen oxidoreductase (14-methyl cleaving) inhibitors CHEBI:77884 EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitors ChEBI EC 1.14.13.70 inhibitor ChEBI EC 1.14.13.70 inhibitors ChEBI cytochrome P450 51 inhibitor ChEBI cytochrome P450 51 inhibitors ChEBI lanosterol 14-demethylase inhibitor ChEBI lanosterol 14-demethylase inhibitors ChEBI lanosterol 14alpha-demethylase inhibitor ChEBI lanosterol 14alpha-demethylase inhibitors ChEBI obtusufoliol 14-demethylase inhibitor ChEBI obtusufoliol 14-demethylase inhibitors ChEBI sterol 14-demethylase inhibitor ChEBI sterol 14-demethylase inhibitors ChEBI sterol 14alpha-demethylase inhibitor ChEBI sterol 14alpha-demethylase inhibitors ChEBI sterol,NADPH:oxygen oxidoreductase (14-methyl cleaving) inhibitor ChEBI sterol,NADPH:oxygen oxidoreductase (14-methyl cleaving) inhibitors ChEBI An aci-nitro compound that is the predominant form of ethylnitronate at pH 7.3 (according to Marvin v 6.2.0.). 0 C2H5NO2 InChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5) CPZLOQHKKRZRSD-UHFFFAOYSA-N 75.06660 75.03203 C\C=[N+](\O)[O-] ethylideneazinic acid chebi_ontology ethylnitronate ethylnitronate ylide CHEBI:77894 aci-nitroethane ethylideneazinic acid IUPAC ethylnitronate UniProt ethylnitronate ylide ChEBI A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). 0 C22H24N2O8 InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 OFVLGDICTFRJMM-WESIUVDSSA-N 444.43460 444.15327 C[NH+](C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)c1c(O)cccc1[C@@]3(C)O (1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate chebi_ontology tetracycline CHEBI:77932 tetracycline zwitterion (1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate IUPAC tetracycline UniProt An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4). Wikipedia:Amidase chebi_ontology EC 3.5.1.4 (amidase) inhibitors EC 3.5.1.4 inhibitor EC 3.5.1.4 inhibitors N-acetylaminohydrolase inhibitor N-acetylaminohydrolase inhibitors acylamidase inhibitor acylamidase inhibitors acylamide amidohydrolase inhibitor acylamide amidohydrolase inhibitors amidase (EC 3.5.1.4) inhibitor amidase (EC 3.5.1.4) inhibitors amidase inhibitor amidase inhibitors amidohydrolase inhibitor amidohydrolase inhibitors deaminase inhibitor deaminase inhibitors fatty acylamidase inhibitor fatty acylamidase inhibitors CHEBI:77941 EC 3.5.1.4 (amidase) inhibitor EC 3.5.1.4 (amidase) inhibitors ChEBI EC 3.5.1.4 inhibitor ChEBI EC 3.5.1.4 inhibitors ChEBI N-acetylaminohydrolase inhibitor ChEBI N-acetylaminohydrolase inhibitors ChEBI acylamidase inhibitor ChEBI acylamidase inhibitors ChEBI acylamide amidohydrolase inhibitor ChEBI acylamide amidohydrolase inhibitors ChEBI amidase (EC 3.5.1.4) inhibitor ChEBI amidase (EC 3.5.1.4) inhibitors ChEBI amidase inhibitor ChEBI amidase inhibitors ChEBI amidohydrolase inhibitor ChEBI amidohydrolase inhibitors ChEBI deaminase inhibitor ChEBI deaminase inhibitors ChEBI fatty acylamidase inhibitor ChEBI fatty acylamidase inhibitors ChEBI A food additive that is used to make or keep fruit or vegetable tissues firm and crisp. or which interacts with gelling agents such as pectin to produce or strengthen a gel. Wikipedia:Firming_agent chebi_ontology firming agent firming agents food firming agents CHEBI:77960 food firming agent firming agent ChEBI firming agents ChEBI food firming agents ChEBI An antioxidant that used as a food additives to help guard against food deterioration. chebi_ontology food antioxidants CHEBI:77962 food antioxidant food antioxidants ChEBI A food additive that is used to preserve the structure of food. Wikipedia:Stabiliser_(food) chebi_ontology food stabilisers food stabilizer food stabilizers stabiliser stabilisers stabilizer stabilizers CHEBI:77966 food stabiliser food stabilisers ChEBI food stabilizer ChEBI food stabilizers ChEBI stabiliser ChEBI stabilisers ChEBI stabilizer ChEBI stabilizers ChEBI A food additive that is used to increase the viscosity of foodstuffs. chebi_ontology food thickening agents thickening agent thickening agents CHEBI:77970 food thickening agent food thickening agents ChEBI thickening agent ChEBI thickening agents ChEBI A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container. Wikipedia:Packaging_gas chebi_ontology food packaging gases CHEBI:77974 food packaging gas food packaging gases ChEBI A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza. 0 C16H28N2O4 InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 VSZGPKBBMSAYNT-RRFJBIMHSA-N 312.40450 312.20491 CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 CHEBI:42582 Beilstein:8003908 CAS:196618-13-0 DrugBank:DB00198 Drug_Central:2001 HMDB:HMDB0014343 KEGG:C08092 KEGG:D08306 PMID:11075941 PMID:11270942 PMID:11825310 PMID:17912363 PMID:18559644 PMID:18936828 PMID:19355841 PMID:19439487 PMID:19557131 PMID:19884755 Patent:US5763483 Reaxys:8003908 Wikipedia:Oseltamivir Oseltamivir ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate chebi_ontology (-)-oseltamivir 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))- Agucort Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate GS-4104 HSDB 7433 Tamiflu oseltamivir oseltamivirum CHEBI:7798 oseltamivir Beilstein:8003908 Beilstein CAS:196618-13-0 ChemIDplus CAS:196618-13-0 KEGG COMPOUND Drug_Central:2001 DrugCentral PMID:11075941 Europe PMC PMID:11270942 Europe PMC PMID:11825310 Europe PMC PMID:17912363 Europe PMC PMID:18559644 Europe PMC PMID:18936828 Europe PMC PMID:19355841 Europe PMC PMID:19439487 Europe PMC PMID:19557131 Europe PMC PMID:19884755 Europe PMC Reaxys:8003908 Reaxys Oseltamivir KEGG_COMPOUND ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate IUPAC (-)-oseltamivir ChEBI 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))- ChemIDplus Agucort KEGG_DRUG Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate ChemIDplus GS-4104 ChemIDplus HSDB 7433 ChemIDplus Tamiflu ChEBI oseltamivir ChEBI oseltamivir ChemIDplus oseltamivirum ChEBI A food additive that is used for the purpose of decolourising food. chebi_ontology food bleaching agents CHEBI:78003 food bleaching agent food bleaching agents ChEBI A food additive that enhances the texture of a foodstuff by gel formation. chebi_ontology food gelling agents CHEBI:78016 food gelling agent food gelling agents ChEBI A propellant that is used to expel foods from an aerosol container. chebi_ontology food propellants CHEBI:78017 food propellant food propellants ChEBI A fatty acid anion containing 18 carbons and one double bond. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3. -1 C18H33O2 281.4534 281.24806 [O-]C([*])=O chebi_ontology CHEBI:78049 octadecenoate Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C3H5O2 73.07060 73.02895 [O-]C([*])=O chebi_ontology fatty acid 3:0 CHEBI:78113 fatty acid anion 3:0 fatty acid 3:0 UniProt Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C4H7O2 87.09718 87.04460 [O-]C([*])=O chebi_ontology fatty acid 4:0 CHEBI:78115 fatty acid anion 4:0 fatty acid 4:0 UniProt Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C6H11O2 115.15034 115.07590 [O-]C([*])=O chebi_ontology fatty acid 6:0 CHEBI:78116 fatty acid anion 6:0 fatty acid 6:0 UniProt Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C8H15O2 143.20350 143.10720 [O-]C([*])=O chebi_ontology fatty acid 8:0 CHEBI:78117 fatty acid anion 8:0 fatty acid 8:0 UniProt Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C10H19O2 171.25670 171.13850 [O-]C([*])=O chebi_ontology fatty acid 10:0 CHEBI:78118 fatty acid anion 10:0 fatty acid 10:0 UniProt Any saturated fatty acid anion containing 12 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C12H23O2 199.30982 199.16980 [O-]C([*])=O chebi_ontology fatty acid 12:0 CHEBI:78119 fatty acid anion 12:0 fatty acid 12:0 UniProt Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C14H27O2 227.36298 227.20111 [O-]C([*])=O chebi_ontology fatty acid 14:0 CHEBI:78121 fatty acid anion 14:0 fatty acid 14:0 UniProt Any saturated fatty acid anion containing 24 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C24H47O2 367.62880 367.35761 [O-]C([*])=O chebi_ontology fatty acid 24:0 CHEBI:78128 fatty acid anion 24:0 fatty acid 24:0 UniProt Any monoacylglycerol 3-phosphate(2-) which has a free hydroxy group at the 2-position of the glycerol moiety. -2 C4H6O7PR 197.060 196.98511 OC(COC([*])=O)COP([O-])([O-])=O chebi_ontology 1-acylglycero-3-phosphate 1-acylglycerol 3-phosphate(2-) CHEBI:78166 2-lysophosphatidate(2-) 1-acylglycero-3-phosphate UniProt 1-acylglycerol 3-phosphate(2-) SUBMITTER Any glycero-3-monophosphate carrying a single acyl substituent in an unspecified position (sn-1, sn-2 or sn-3). -2 C3H5O6PR2 168.042 167.98237 [O-]P([O-])(=O)OCC(CO[*])O[*] chebi_ontology monoacylglycero-3-phosphate CHEBI:78172 monoacylglycerol 3-phosphate(2-) monoacylglycero-3-phosphate UniProt An anionic phospholipid having a phosphate group at sn-1 or sn-3 position of the glycerol backbone, and with a combination of one or two acyl groups, alkyl groups, or alkenyl groups attached at the sn-1, sn-2, or sn-3 positions through ester, ether or vinyl linkages respectively. -2 C3H5O6PR2 168.042 167.98237 [O-]P([O-])(=O)OCC(CO[*])O[*] chebi_ontology CHEBI:78185 glycero-3-monophosphate(2-) An alkylacylglycero-3-phosphocholine in which the alkyl and acyl groups are located at positions 1 and 2 respectively. Major species at pH 7.3. 0 C9H18NO7PR2 283.216 283.08209 C[N+](C)(C)CCOP([O-])(=O)OCC(CO[*])OC([*])=O 1-alkyl-2-acyl-glycero-3-phosphocholine chebi_ontology CHEBI:78186 1-alkyl-2-acyl-glycero-3-phosphocholine 1-alkyl-2-acyl-glycero-3-phosphocholine UniProt A glycerophosphocholine that is glycero-3-phosphocholine carrying one alkyl and one acyl group in unspecified positions. Major species at pH 7.3. 0 C9H18NO7PR2 255.206 255.08717 C[N+](C)(C)CCOP([O-])(=O)OCC(CO[*])O[*] chebi_ontology monoalkylmonoacylglycero-3-phosphocholine CHEBI:78189 alkylacylglycero-3-phosphocholine monoalkylmonoacylglycero-3-phosphocholine UniProt A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5. 0 C15H11ClN2O2 InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19) ADIMAYPTOBDMTL-UHFFFAOYSA-N 286.71300 286.05091 OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O CAS:604-75-1 DrugBank:DB00842 Drug_Central:2015 HMDB:HMDB0014980 KEGG:C07359 KEGG:D00464 PMID:17456431 PMID:9811432 Patent:CN1543961 Reaxys:754065 Wikipedia:Oxazepam 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one Oxazepam chebi_ontology (+-)-Oxazepam (RS)-Oxazepam Serax Tazepam CHEBI:7823 oxazepam CAS:604-75-1 ChemIDplus CAS:604-75-1 KEGG COMPOUND CAS:604-75-1 NIST Chemistry WebBook Drug_Central:2015 DrugCentral PMID:17456431 Europe PMC PMID:9811432 Europe PMC Reaxys:754065 Reaxys 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one IUPAC Oxazepam KEGG_COMPOUND (+-)-Oxazepam ChemIDplus (RS)-Oxazepam ChemIDplus Serax ChemIDplus Tazepam ChemIDplus A monoacyl-sn-glycerol 3-phosphate in which the acyl group is specified as octadecenoyl and is attached at either sn-1 or sn-2 position; major species at pH 7.3. -2 C21H39O7P 434.5039 434.24334 [O-]P([O-])(=O)OC[C@@H](CO[*])O[*] chebi_ontology octadecenoyl-sn-glycero-3-phosphate CHEBI:78279 lysophosphatidate 18:1 octadecenoyl-sn-glycero-3-phosphate UniProt food component role A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. chebi_ontology dietary component dietary components food components CHEBI:78295 food component dietary component ChEBI dietary components ChEBI food components ChEBI Any minor or unwanted substance introduced into the environment that can have undesired effects. chebi_ontology environmental contaminants CHEBI:78298 environmental contaminant environmental contaminants ChEBI Any unwanted chemical in food. The term includes agrochemicals and industrial chemicals that may contaminate foodstuffs during their production, transportation or storage. environmental food contaminant A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. 0 C3H6O3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N 90.07790 90.03169 CC(O)C(O)=O CAS:50-21-5 KEGG:C01432 KEGG:D00111 2-Hydroxypropanoic acid 2-hydroxypropanoic acid chebi_ontology 2-Hydroxypropionic acid Lactic acid CHEBI:78320 2-hydroxypropanoic acid CAS:50-21-5 KEGG COMPOUND 2-Hydroxypropanoic acid KEGG_COMPOUND 2-hydroxypropanoic acid IUPAC 2-Hydroxypropionic acid KEGG_COMPOUND Lactic acid KEGG_COMPOUND An isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium. 0 C2H3NS InChI=1S/C2H3NS/c1-3-2-4/h1H3 LGDSHSYDSCRFAB-UHFFFAOYSA-N 73.11700 72.99862 CN=C=S CAS:556-61-6 HMDB:HMDB0034106 KEGG:C18587 PMID:20521729 PMID:21780282 PMID:24216433 PMID:24370859 PMID:25144617 PPDB:887 Reaxys:605319 Wikipedia:Methyl_isothiocyanate isothiocyanatomethane chebi_ontology Methyl mustard Methyl mustard oil CHEBI:78337 methyl isothiocyanate CAS:556-61-6 ChemIDplus CAS:556-61-6 KEGG COMPOUND CAS:556-61-6 NIST Chemistry WebBook PMID:20521729 Europe PMC PMID:21780282 Europe PMC PMID:24216433 Europe PMC PMID:24370859 Europe PMC PMID:25144617 Europe PMC Reaxys:605319 Reaxys isothiocyanatomethane IUPAC Methyl mustard ChemIDplus Methyl mustard oil ChemIDplus An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of hexokinase, EC 2.7.1.1, an enzyme that phosphorylates hexoses forming hexose phosphate. Wikipedia:Hexokinase chebi_ontology ATP-dependent hexokinase inhibitor ATP-dependent hexokinase inhibitors ATP:D-hexose 6-phosphotransferase inhibitor ATP:D-hexose 6-phosphotransferase inhibitors EC 2.7.1.1 (hexokinase) inhibitors EC 2.7.1.1 inhibitor EC 2.7.1.1 inhibitors glucose ATP phosphotransferase inhibitor glucose ATP phosphotransferase inhibitors hexokinase (phosphorylating) inhibitor hexokinase (phosphorylating) inhibitors hexokinase D inhibitor hexokinase D inhibitors hexokinase inhibitor hexokinase inhibitors hexokinase type I inhibitor hexokinase type I inhibitors hexokinase type II inhibitor hexokinase type II inhibitors hexokinase type III inhibitor hexokinase type III inhibitors hexokinase type IV glucokinase inhibitor hexokinase type IV glucokinase inhibitors hexokinase type IV inhibitor hexokinase type IV inhibitors CHEBI:78366 EC 2.7.1.1 (hexokinase) inhibitor ATP-dependent hexokinase inhibitor ChEBI ATP-dependent hexokinase inhibitors ChEBI ATP:D-hexose 6-phosphotransferase inhibitor ChEBI ATP:D-hexose 6-phosphotransferase inhibitors ChEBI EC 2.7.1.1 (hexokinase) inhibitors ChEBI EC 2.7.1.1 inhibitor ChEBI EC 2.7.1.1 inhibitors ChEBI glucose ATP phosphotransferase inhibitor ChEBI glucose ATP phosphotransferase inhibitors ChEBI hexokinase (phosphorylating) inhibitor ChEBI hexokinase (phosphorylating) inhibitors ChEBI hexokinase D inhibitor ChEBI hexokinase D inhibitors ChEBI hexokinase inhibitor ChEBI hexokinase inhibitors ChEBI hexokinase type I inhibitor ChEBI hexokinase type I inhibitors ChEBI hexokinase type II inhibitor ChEBI hexokinase type II inhibitors ChEBI hexokinase type III inhibitor ChEBI hexokinase type III inhibitors ChEBI hexokinase type IV glucokinase inhibitor ChEBI hexokinase type IV glucokinase inhibitors ChEBI hexokinase type IV inhibitor ChEBI hexokinase type IV inhibitors ChEBI A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure. Wikipedia:Refrigerant chebi_ontology refrigerants CHEBI:78433 refrigerant refrigerants ChEBI Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ). chebi_ontology Alpha-carboxylesterase inhibitor Alpha-carboxylesterase inhibitors Beta-esterase inhibitor Beta-esterase inhibitors EC 3.1.1.1 (carboxylesterase) inhibitors ali-esterase inhibitor ali-esterase inhibitors butyrate esterase inhibitor butyrate esterase inhibitors butyryl esterase inhibitor butyryl esterase inhibitors carboxyl ester hydrolase inhibitor carboxyl ester hydrolase inhibitors carboxylate esterase inhibitor carboxylate esterase inhibitors carboxylesterase inhibitor carboxylesterase inhibitors carboxylic acid esterase inhibitor carboxylic acid esterase inhibitors carboxylic esterase inhibitor carboxylic esterase inhibitors carboxylic-ester hydrolase inhibitor carboxylic-ester hydrolase inhibitors cocaine esterase inhibitor cocaine esterase inhibitors esterase A inhibitor esterase A inhibitors esterase B inhibitor esterase B inhibitors esterase D inhibitor esterase D inhibitors methylbutyrase inhibitor methylbutyrase inhibitors methylbutyrate esterase inhibitor methylbutyrate esterase inhibitors monobutyrase inhibitor monobutyrase inhibitors nonspecific carboxylesterase inhibitor nonspecific carboxylesterase inhibitors procaine esterase inhibitor procaine esterase inhibitors propionyl esterase inhibitor propionyl esterase inhibitors serine esterase inhibitor serine esterase inhibitors triacetin esterase inhibitor triacetin esterase inhibitors vitamin A esterase inhibitor vitamin A esterase inhibitors CHEBI:78444 EC 3.1.1.1 (carboxylesterase) inhibitor Alpha-carboxylesterase inhibitor ChEBI Alpha-carboxylesterase inhibitors ChEBI Beta-esterase inhibitor ChEBI Beta-esterase inhibitors ChEBI EC 3.1.1.1 (carboxylesterase) inhibitors ChEBI ali-esterase inhibitor ChEBI ali-esterase inhibitors ChEBI butyrate esterase inhibitor ChEBI butyrate esterase inhibitors ChEBI butyryl esterase inhibitor ChEBI butyryl esterase inhibitors ChEBI carboxyl ester hydrolase inhibitor ChEBI carboxyl ester hydrolase inhibitors ChEBI carboxylate esterase inhibitor ChEBI carboxylate esterase inhibitors ChEBI carboxylesterase inhibitor ChEBI carboxylesterase inhibitors ChEBI carboxylic acid esterase inhibitor ChEBI carboxylic acid esterase inhibitors ChEBI carboxylic esterase inhibitor ChEBI carboxylic esterase inhibitors ChEBI carboxylic-ester hydrolase inhibitor ChEBI carboxylic-ester hydrolase inhibitors ChEBI cocaine esterase inhibitor ChEBI cocaine esterase inhibitors ChEBI esterase A inhibitor ChEBI esterase A inhibitors ChEBI esterase B inhibitor ChEBI esterase B inhibitors ChEBI esterase D inhibitor ChEBI esterase D inhibitors ChEBI methylbutyrase inhibitor ChEBI methylbutyrase inhibitors ChEBI methylbutyrate esterase inhibitor ChEBI methylbutyrate esterase inhibitors ChEBI monobutyrase inhibitor ChEBI monobutyrase inhibitors ChEBI nonspecific carboxylesterase inhibitor ChEBI nonspecific carboxylesterase inhibitors ChEBI procaine esterase inhibitor ChEBI procaine esterase inhibitors ChEBI propionyl esterase inhibitor ChEBI propionyl esterase inhibitors ChEBI serine esterase inhibitor ChEBI serine esterase inhibitors ChEBI triacetin esterase inhibitor ChEBI triacetin esterase inhibitors ChEBI vitamin A esterase inhibitor ChEBI vitamin A esterase inhibitors ChEBI A member of the class of phenothiazines that is 4aH-phenothiazine substituted by dimethylamino groups at positions 3 and 7. 0 C16H19N3S InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,15H,1-4H3 DDCCHUHICUGJCF-UHFFFAOYSA-N 285.40700 285.12997 CN(C)C1=CC2Sc3cc(ccc3N=C2C=C1)N(C)C Reaxys:8131736 N,N,N',N'-tetramethyl-4aH-phenothiazine-3,7-diamine chebi_ontology CHEBI:78523 3,7-bis(dimethylamino)phenothiazine Reaxys:8131736 Reaxys N,N,N',N'-tetramethyl-4aH-phenothiazine-3,7-diamine IUPAC A protein kinase agonist that selectively binds to and activates a protein kinase A receptor chebi_ontology protein kinase A agonists CHEBI:78547 protein kinase A agonist protein kinase A agonists ChEBI Any agonist of one or more of the isoforms of adenylate cyclase (EC 4.6.1.1). chebi_ontology adenylate cyclase agonists adenylyl cyclase agonist adenylyl cyclase agonists CHEBI:78548 adenylate cyclase agonist adenylate cyclase agonists ChEBI adenylyl cyclase agonist ChEBI adenylyl cyclase agonists ChEBI Any compound that causes severe skin, eye and mucosal pain and irritation. PMID:16168310 Wikipedia:Blister_agent chebi_ontology blister agent blister agents vesicants CHEBI:78592 vesicant PMID:16168310 Europe PMC blister agent ChEBI blister agents ChEBI vesicants ChEBI An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3. 0 C2H4NO2R 74.059 74.02420 [NH3+]C([*])C([O-])=O CHEBI:83409 MetaCyc:Alpha-Amino-Acids chebi_ontology an alpha-amino acid CHEBI:78608 alpha-amino acid zwitterion MetaCyc:Alpha-Amino-Acids SUBMITTER an alpha-amino acid UniProt Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation. chebi_ontology carbohydrates and derivatives carbohydrates and their derivatives CHEBI:78616 carbohydrates and carbohydrate derivatives carbohydrates and derivatives ChEBI carbohydrates and their derivatives ChEBI A retinoate that is the conjugate base of 9-cis-retinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. -1 C20H27O2 InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8-,16-14+ SHGAZHPCJJPHSC-ZVCIMWCZSA-M 299.42770 299.20165 C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C([O-])=O (9cis)-15-oxidoretinal 9-cis-retinoate chebi_ontology (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate CHEBI:78630 9-cis-retinoate (9cis)-15-oxidoretinal IUPAC 9-cis-retinoate UniProt (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate SUBMITTER A chromanol that is chromane in which the hydrogen at position 6 is replaced by a hydroxy group. 0 C9H10O2 InChI=1S/C9H10O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,10H,1-2,5H2 GZCJJOLJSBCUNR-UHFFFAOYSA-N 150.17450 150.06808 Oc1ccc2OCCCc2c1 Reaxys:1283166 3,4-dihydro-2H-chromen-6-ol chebi_ontology 3,4-dihydrobenzopyran-6-ol CHEBI:78631 chroman-6-ol Reaxys:1283166 Reaxys 3,4-dihydro-2H-chromen-6-ol IUPAC 3,4-dihydrobenzopyran-6-ol ChEBI A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. 0 C9H12O2 InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 YQHLDYVWEZKEOX-UHFFFAOYSA-N 152.19040 152.08373 CC(C)(OO)c1ccccc1 CAS:80-15-9 MetaCyc:CPD0-1449 PMID:23357941 PMID:23707950 PMID:23767299 PMID:24073228 PMID:24492382 PMID:26985019 Reaxys:1908117 Wikipedia:Cumene_hydroperoxide cumene hydroperoxide chebi_ontology 1-Methyl-1-phenylethyl hydroperoxide 7-Cumyl hydroperoxide CHP Cumenyl hydroperoxide Cumolhydroperoxid Cumyl hydroperoxide Hydroperoxyde de cumene Hydroperoxyde de cumyle Isopropylbenzene hydroperoxide alpha,alpha-Dimethylbenzyl hydroperoxide alpha-Cumene hydroperoxide alpha-Cumyl hydroperoxide CHEBI:78673 cumene hydroperoxide CAS:80-15-9 ChemIDplus CAS:80-15-9 NIST Chemistry WebBook PMID:23357941 Europe PMC PMID:23707950 Europe PMC PMID:23767299 Europe PMC PMID:24073228 Europe PMC PMID:24492382 Europe PMC PMID:26985019 Europe PMC Reaxys:1908117 Reaxys cumene hydroperoxide UniProt 1-Methyl-1-phenylethyl hydroperoxide NIST_Chemistry_WebBook 7-Cumyl hydroperoxide ChemIDplus CHP ChEBI Cumenyl hydroperoxide ChemIDplus Cumolhydroperoxid ChemIDplus Cumyl hydroperoxide ChemIDplus Hydroperoxyde de cumene ChemIDplus Hydroperoxyde de cumyle ChemIDplus Isopropylbenzene hydroperoxide NIST_Chemistry_WebBook alpha,alpha-Dimethylbenzyl hydroperoxide ChemIDplus alpha-Cumene hydroperoxide NIST_Chemistry_WebBook alpha-Cumyl hydroperoxide NIST_Chemistry_WebBook Any metabolite produced by all living cells. chebi_ontology essential metabolite essential metabolites fundamental metabolites CHEBI:78675 fundamental metabolite essential metabolite ChEBI essential metabolites ChEBI fundamental metabolites ChEBI An EC 4.6.* (P-O lyase) inhibitor that interferes with the action of enzyme guanylate cyclase (EC 4.6.1.2). Wikipedia:Guanylate_cyclase chebi_ontology EC 4.6.1.2 (guanylate cyclase) inhibitors EC 4.6.1.2 inhibitor EC 4.6.1.2 inhibitors GTP diphosphate-lyase (cyclizing) inhibitor GTP diphosphate-lyase (cyclizing) inhibitors GTP diphosphate-lyase (cyclizing; 3',5'-cyclic-GMP-forming) inhibitor GTP diphosphate-lyase (cyclizing; 3',5'-cyclic-GMP-forming) inhibitors guanyl cyclase inhibitor guanyl cyclase inhibitors guanylyl cyclase inhibitor guanylyl cyclase inhibitors CHEBI:78678 EC 4.6.1.2 (guanylate cyclase) inhibitor EC 4.6.1.2 (guanylate cyclase) inhibitors ChEBI EC 4.6.1.2 inhibitor ChEBI EC 4.6.1.2 inhibitors ChEBI GTP diphosphate-lyase (cyclizing) inhibitor ChEBI GTP diphosphate-lyase (cyclizing) inhibitors ChEBI GTP diphosphate-lyase (cyclizing; 3',5'-cyclic-GMP-forming) inhibitor ChEBI GTP diphosphate-lyase (cyclizing; 3',5'-cyclic-GMP-forming) inhibitors ChEBI guanyl cyclase inhibitor ChEBI guanyl cyclase inhibitors ChEBI guanylyl cyclase inhibitor ChEBI guanylyl cyclase inhibitors ChEBI A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease). 0 C8H11NO3 InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2 DIVDFFZHCJEHGG-UHFFFAOYSA-N 169.17780 169.07389 NCCc1cc(O)c(O)cc1O HMDB:HMDB0001537 KEGG:D05294 LINCS:LSM-37081 MetaCyc:CPD-7666 PMID:12486162 PMID:22789904 PMID:23358137 PMID:23670213 PMID:23959789 PMID:24277157 PMID:24333330 PMID:24885281 PMID:8255370 Reaxys:2211011 Wikipedia:Oxidopamine 5-(2-aminoethyl)benzene-1,2,4-triol chebi_ontology 2,4,5-trihydroxyphenethylamine 6-OHDA 6-hydroxydopamine hydroxydopamine oxidopamina oxidopamine oxidopaminum topamine CHEBI:78741 oxidopamine PMID:12486162 Europe PMC PMID:22789904 Europe PMC PMID:23358137 Europe PMC PMID:23670213 Europe PMC PMID:23959789 Europe PMC PMID:24277157 Europe PMC PMID:24333330 Europe PMC PMID:24885281 Europe PMC PMID:8255370 Europe PMC Reaxys:2211011 Reaxys 5-(2-aminoethyl)benzene-1,2,4-triol IUPAC 2,4,5-trihydroxyphenethylamine ChemIDplus 6-OHDA ChemIDplus 6-hydroxydopamine ChemIDplus hydroxydopamine MetaCyc oxidopamina ChemIDplus oxidopamine ChemIDplus oxidopamine WHO_MedNet oxidopaminum ChemIDplus topamine ChEBI A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. 0 C19H18ClN3O4 InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3 HZRSNVGNWUDEFX-UHFFFAOYSA-N 387.81700 387.09858 CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1 CAS:175013-18-0 KEGG:C18561 PMID:22730168 PMID:23554042 PMID:23793800 PMID:23998307 PMID:24144943 PMID:24380616 PMID:24533668 PMID:24772573 PMID:24908975 PPDB:564 Pesticides:pyraclostrobin Reaxys:10095527 methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate chebi_ontology Pyraclostrobine CHEBI:78780 pyraclostrobin CAS:175013-18-0 ChemIDplus CAS:175013-18-0 KEGG COMPOUND CAS:175013-18-0 NIST Chemistry WebBook PMID:22730168 Europe PMC PMID:23554042 Europe PMC PMID:23793800 Europe PMC PMID:23998307 Europe PMC PMID:24144943 Europe PMC PMID:24380616 Europe PMC PMID:24533668 Europe PMC PMID:24772573 Europe PMC PMID:24908975 Europe PMC Pesticides:pyraclostrobin Alan Wood's Pesticides Reaxys:10095527 Reaxys methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate IUPAC Pyraclostrobine NIST_Chemistry_WebBook Any organic acid in which both oxygens of a carbamic acid have been replaced by sulfur. 0 CHNS2R2 91.158 90.95504 SC(=S)N([*])[*] chebi_ontology dithiocarbamic acid CHEBI:78787 dithiocarbamic acids dithiocarbamic acid ChEBI A family of plant metabolites with a common 1,7-diphenylheptane structural skeleton, carrying various substituents. They are mainly distributed in the roots, rhizomes and bark of Alpinia, Zingiber, Curcuma and Alnus species. chebi_ontology diarylheptanoids diphenylheptanoid diphenylheptanoids CHEBI:78802 diarylheptanoid diarylheptanoid diarylheptanoids ChEBI diphenylheptanoid ChEBI diphenylheptanoids ChEBI An animal metabolite produced by any member of the phylum Nematoda. chebi_ontology nematode metabolites CHEBI:78803 nematode metabolite nematode metabolites ChEBI A nematode metabolite produced by Caenorhabditis elegans. chebi_ontology C. elegans metabolite C. elegans metabolites Caenorhabditis elegans metabolites CHEBI:78804 Caenorhabditis elegans metabolite C. elegans metabolite ChEBI C. elegans metabolites ChEBI Caenorhabditis elegans metabolites ChEBI Any organic molecular entity that contains at least one C=C bond. chebi_ontology olefinic compounds CHEBI:78840 olefinic compound olefinic compounds ChEBI An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning. sodium nitrite http://langual.org Codex::250 Europe::250 http://www.langual.org/langual_thesaurus.asp?termid=B3266 LanguaL term definition: Food additive; technological purpose(s): colour fixative, preservative. sodium nitrite An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid). 0 C34H24N6Na4O14S4 C34H24N6O14S4.4Na InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;; GLNADSQYFUSGOU-GPTZEZBUSA-J 960.80500 959.98241 [Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 CAS:72-57-1 KEGG:C19307 PMID:23889365 PMID:24238944 PMID:24464534 PMID:24512297 PMID:24519684 PMID:24643390 PMID:24652322 PMID:24867494 PMID:25717323 PMID:25815522 PMID:25840295 PMID:26379749 PMID:26529666 Reaxys:4360496 Wikipedia:Trypan_blue tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate) chebi_ontology C.I. 23850 C.I. Direct Blue 14 C.I. Direct Blue 14, tetrasodium salt Niagara blue 3B Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonate Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulfonate Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulphonate direct blue 14 CHEBI:78897 trypan blue CAS:72-57-1 ChemIDplus CAS:72-57-1 KEGG COMPOUND PMID:23889365 Europe PMC PMID:24238944 Europe PMC PMID:24464534 Europe PMC PMID:24512297 Europe PMC PMID:24519684 Europe PMC PMID:24643390 Europe PMC PMID:24652322 Europe PMC PMID:24867494 Europe PMC PMID:25717323 Europe PMC PMID:25815522 Europe PMC PMID:25840295 Europe PMC PMID:26379749 Europe PMC PMID:26529666 Europe PMC Reaxys:4360496 Reaxys tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate) IUPAC C.I. 23850 ChEBI C.I. Direct Blue 14 ChemIDplus C.I. Direct Blue 14, tetrasodium salt ChemIDplus Niagara blue 3B ChEBI Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonate ChemIDplus Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulfonate ChemIDplus Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulphonate ChemIDplus direct blue 14 ChEBI An organosulfonate oxoanion that is the tetraanionic form of trypan blue. -4 C34H24N6O14S4 InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/b39-37+,40-38+ ZBNARPCCDMHDDV-HVMBLDELSA-J 868.84800 868.02553 Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate) chebi_ontology CHEBI:78899 trypan blue(4-) 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate) IUPAC An aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye. 0 C34H28N6O14S4 InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+ ZBNARPCCDMHDDV-HVMBLDELSA-N 872.87800 872.05463 Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1 CAS:2538-83-2 Drug_Central:4608 Wikipedia:Trypan_blue 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid) chebi_ontology Trypan blue free acid trypan blue acid CHEBI:78900 trypan blue sulfonic acid CAS:2538-83-2 ChemIDplus Drug_Central:4608 DrugCentral 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid) IUPAC Trypan blue free acid ChemIDplus trypan blue acid ChEBI An alpha-amino-acid cation that is the conjugate acid of L-canavanine; major species at pH 7.3. +1 C5H13N4O3 InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1 FSBIGDSBMBYOPN-VKHMYHEASA-O 177.18120 177.09822 NC(=[NH2+])NOCC[C@H]([NH3+])C([O-])=O MetaCyc:CANAVANINE (2S)-2-azaniumyl-4-({[ammonio(imino)methyl]amino}oxy)butanoate chebi_ontology L-canavanine L-canavanine cation L-canavaninium CHEBI:78902 L-canavanine(1+) (2S)-2-azaniumyl-4-({[ammonio(imino)methyl]amino}oxy)butanoate IUPAC L-canavanine UniProt L-canavanine cation ChEBI L-canavaninium ChEBI The conjugate acid of (R)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. +1 C10H15N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m1/s1 SNICXCGAKADSCV-SNVBAGLBSA-O 163.23900 163.12297 C[NH+]1CCC[C@@H]1c1cccnc1 MetaCyc:R-NICOTINE (2R)-1-methyl-2-(pyridin-3-yl)pyrrolidinium chebi_ontology (R)-nicotine CHEBI:79008 (R)-nicotinium(1+) MetaCyc:R-NICOTINE SUBMITTER MetaCyc:R-NICOTINE SUBMITTER (2R)-1-methyl-2-(pyridin-3-yl)pyrrolidinium IUPAC (R)-nicotine UniProt A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond. chebi_ontology 2,3-unsaturated monocarboxylic acid 2,3-unsaturated monocarboxylic acids alpha,beta-unsaturated monocarboxylic acids CHEBI:79020 alpha,beta-unsaturated monocarboxylic acid 2,3-unsaturated monocarboxylic acid ChEBI 2,3-unsaturated monocarboxylic acids ChEBI alpha,beta-unsaturated monocarboxylic acids ChEBI Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers. Wikipedia:Plasticizer chebi_ontology plasticisers plasticizer plasticizers CHEBI:79056 plasticiser plasticisers ChEBI plasticizer ChEBI plasticizers ChEBI A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2. 0 C16H15F2N3O4S InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21) IQPSEEYGBUAQFF-UHFFFAOYSA-N 383.37093 383.07513 COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC Beilstein:5361474 CAS:102625-70-7 DrugBank:DB00213 Drug_Central:2054 HMDB:HMDB0005017 KEGG:C11806 KEGG:D05353 LINCS:LSM-1390 PMID:11110229 PMID:11240974 Patent:EP166287 Patent:US4758579 Reaxys:5361474 VSDB:2958 Wikipedia:Pantoprazole 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole chebi_ontology pantoprazol pantoprazole pantoprazolum CHEBI:7915 pantoprazole Beilstein:5361474 Beilstein CAS:102625-70-7 ChemIDplus Drug_Central:2054 DrugCentral PMID:11110229 Europe PMC PMID:11240974 Europe PMC Reaxys:5361474 Reaxys 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole IUPAC pantoprazol ChemIDplus pantoprazole ChemIDplus pantoprazolum ChemIDplus A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine. pantothenic acid http://langual.org 0 C9H17NO5 InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N 219.23502 219.11067 CC(C)(CO)C(O)C(=O)NCCC(O)=O Beilstein:1727062 CAS:599-54-2 DrugBank:DB01783 HMDB:HMDB0000210 KEGG:C00864 KEGG:D07413 PMID:24727172 Reaxys:1727062 Wikipedia:Pantothenic_acid http://www.langual.org/langual_thesaurus.asp?termid=B3758 http://www.langual.org/langual_thesaurus.asp?termid=H0770 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid Pantothenic acid chebi_ontology N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine vitamin B5 CHEBI:7916 pantothenic acid Beilstein:1727062 Beilstein CAS:599-54-2 ChemIDplus PMID:24727172 Europe PMC Reaxys:1727062 Reaxys 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid IUPAC Pantothenic acid KEGG_COMPOUND N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine ChEBI Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire. Wikipedia:Flame_retardant chebi_ontology flame retardants CHEBI:79314 flame retardant flame retardants ChEBI A benzoate ester that is an ester of 4-hydroxybenzoic acid. 0 C7H5O3R 137.11280 137.02387 Oc1ccc(cc1)C(=O)O[*] chebi_ontology 4-hydroxybenzoate esters p-hydroxybenzoate ester p-hydroxybenzoate esters CHEBI:79323 4-hydroxybenzoate ester 4-hydroxybenzoate esters ChEBI p-hydroxybenzoate ester ChEBI p-hydroxybenzoate esters ChEBI Any inorganic anion with a valency of three. chebi_ontology trivalent inorganic anions CHEBI:79387 trivalent inorganic anion trivalent inorganic anions ChEBI Any inorganic anion with a valency of two. chebi_ontology divalent inorganic anions CHEBI:79388 divalent inorganic anion divalent inorganic anions ChEBI Any inorganic anion with a valency of one. chebi_ontology monovalent inorganic anions CHEBI:79389 monovalent inorganic anion monovalent inorganic anions ChEBI CAS:25154-52-3 KEGG:C14993 chebi_ontology CHEBI:79516 Nonylphenol CAS:25154-52-3 KEGG COMPOUND 0 C11H17N2O3.Na InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1 QGMRQYFBGABWDR-UHFFFAOYSA-M 248.254 248.11369 [Na+].CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O CAS:57-33-0 KEGG:C07423 KEGG:D00500 Pentobarbital sodium chebi_ontology CHEBI:7984 Pentobarbital sodium CAS:57-33-0 KEGG COMPOUND Pentobarbital sodium KEGG_COMPOUND A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids. KEGG:C00889 Wikipedia:Peptidoglycan Peptidoglycan peptidoglycan chebi_ontology Mucopeptide Murein Peptideglycan CHEBI:8005 peptidoglycan Peptidoglycan KEGG_COMPOUND peptidoglycan IUPAC peptidoglycan UniProt Mucopeptide KEGG_COMPOUND Murein KEGG_COMPOUND Peptideglycan KEGG_COMPOUND A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. 0 C21H26ClN3OS InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 RGCVKNLCSQQDEP-UHFFFAOYSA-N 403.96946 403.14851 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 Beilstein:54730 CAS:58-39-9 DrugBank:DB00850 Drug_Central:2113 HMDB:HMDB0014988 KEGG:C07427 KEGG:D00503 LINCS:LSM-2224 PMID:14401911 PMID:15674907 PMID:1650428 PMID:26660173 PMID:27150024 Patent:US2766235 Patent:US2860138 Reaxys:54730 Wikipedia:Perphenazine 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol Perphenazine chebi_ontology 2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol 2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol Chlorpiprazine Perfenazine Perphenazin Trilafon gamma-(4-(beta-hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine perfenazina perphenazine perphenazinum CHEBI:8028 perphenazine Beilstein:54730 Beilstein CAS:58-39-9 ChemIDplus CAS:58-39-9 KEGG COMPOUND CAS:58-39-9 NIST Chemistry WebBook Drug_Central:2113 DrugCentral PMID:14401911 Europe PMC PMID:15674907 Europe PMC PMID:1650428 Europe PMC PMID:26660173 Europe PMC PMID:27150024 Europe PMC Reaxys:54730 Reaxys 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol IUPAC Perphenazine KEGG_COMPOUND 2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol NIST_Chemistry_WebBook 2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine NIST_Chemistry_WebBook 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol NIST_Chemistry_WebBook 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol NIST_Chemistry_WebBook Chlorpiprazine ChemIDplus Perfenazine ChemIDplus Perphenazin ChemIDplus Trilafon ChemIDplus gamma-(4-(beta-hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine NIST_Chemistry_WebBook perfenazina WHO_MedNet perphenazine WHO_MedNet perphenazinum WHO_MedNet Any nitrile derived from an aliphatic compound. 0 CNR 26.017 26.00307 [*]C#N KEGG:C16072 chebi_ontology an aliphatic nitrile CHEBI:80291 aliphatic nitrile an aliphatic nitrile UniProt A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. 0 C12H12N2 InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 HFACYLZERDEVSX-UHFFFAOYSA-N 184.238 184.10005 C1=C(C=CC(=C1)C=2C=CC(=CC2)N)N CAS:92-87-5 HMDB:HMDB0041835 KEGG:C16444 PMID:15317128 PMID:21089809 PMID:23766236 PMID:25151432 PMID:25281283 PMID:25757908 PMID:7341968 Reaxys:742770 Wikipedia:Benzidine biphenyl-4,4'-diamine chebi_ontology (1,1'-biphenyl)-4,4'-diamine 4,4'-bianiline 4,4'-biphenyldiamine 4,4'-biphenylenediamine 4,4'-diamino-1,1'-biphenyl 4,4'-diaminobiphenyl 4,4'-diaminodiphenyl 4,4'-diphenylenediamine C.I. azoic diazo component 112 p,p'-bianiline p,p'-diaminodiphenyl p-diaminodiphenyl CHEBI:80495 benzidine CAS:92-87-5 ChemIDplus CAS:92-87-5 KEGG COMPOUND CAS:92-87-5 NIST Chemistry WebBook PMID:15317128 Europe PMC PMID:21089809 Europe PMC PMID:23766236 Europe PMC PMID:25151432 Europe PMC PMID:25281283 Europe PMC PMID:25757908 Europe PMC PMID:7341968 Europe PMC Reaxys:742770 Reaxys biphenyl-4,4'-diamine IUPAC (1,1'-biphenyl)-4,4'-diamine ChemIDplus 4,4'-bianiline ChemIDplus 4,4'-biphenyldiamine ChemIDplus 4,4'-biphenylenediamine ChemIDplus 4,4'-diamino-1,1'-biphenyl ChemIDplus 4,4'-diaminobiphenyl ChemIDplus 4,4'-diaminodiphenyl ChemIDplus 4,4'-diphenylenediamine ChemIDplus C.I. azoic diazo component 112 NIST_Chemistry_WebBook p,p'-bianiline NIST_Chemistry_WebBook p,p'-diaminodiphenyl NIST_Chemistry_WebBook p-diaminodiphenyl NIST_Chemistry_WebBook CAS:65996-93-2 KEGG:C16451 chebi_ontology CHEBI:80501 Coal-tar pitch CAS:65996-93-2 KEGG COMPOUND 0 C16H11I3N2O4 675.98300 675.78530 Oc1ccc(Oc2c(I)cc(C[C@H](NC([*])=O)C(=O)N[*])cc2I)cc1I KEGG:C16730 chebi_ontology Thyroglobulin L-3,5,3'-triiodothyronine CHEBI:80690 Thyroglobulin triiodothyronine Thyroglobulin L-3,5,3'-triiodothyronine KEGG_COMPOUND A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes. 0 C8H8O3 InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) LCPDWSOZIOUXRV-UHFFFAOYSA-N 152.14732 152.04734 OC(=O)COc1ccccc1 Beilstein:907949 CAS:122-59-8 Gmelin:142730 HMDB:HMDB0031609 KEGG:C02181 PDBeChem:06Y PMID:14687482 PMID:23838187 PMID:26188115 PMID:26452788 Reaxys:907949 Phenoxyacetic acid phenoxyacetic acid chebi_ontology Glycol acid phenyl ether POA Phenoxyacetate Phenoxyessigsaeure phenoxacetic acid phenoxyethanoic acid CHEBI:8075 phenoxyacetic acid Beilstein:907949 Beilstein CAS:122-59-8 ChemIDplus CAS:122-59-8 KEGG COMPOUND CAS:122-59-8 NIST Chemistry WebBook Gmelin:142730 Gmelin PMID:14687482 Europe PMC PMID:23838187 Europe PMC PMID:26188115 Europe PMC PMID:26452788 Europe PMC Reaxys:907949 Reaxys Phenoxyacetic acid KEGG_COMPOUND phenoxyacetic acid IUPAC Glycol acid phenyl ether HMDB POA ChemIDplus Phenoxyacetate KEGG_COMPOUND Phenoxyessigsaeure ChEBI phenoxacetic acid ChEBI phenoxyethanoic acid NIST_Chemistry_WebBook A phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions. 0 C6H8N2 InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 WZCQRUWWHSTZEM-UHFFFAOYSA-N 108.14120 108.06875 Nc1cccc(N)c1 Beilstein:471357 CAS:108-45-2 CAS:25265-76-3 KEGG:C02454 PMID:1395635 PMID:22511621 PMID:23425124 PMID:23573921 Reaxys:471357 Wikipedia:M-Phenylenediamine benzene-1,3-diamine chebi_ontology 1,3-Benzenediamine 1,3-Diaminobenzene 3-Aminoaniline 3-Phenylenediamine m-Diaminobenzene m-Phenylenediamine meta-Phenylenediamine CHEBI:8092 1,3-phenylenediamine Beilstein:471357 Beilstein CAS:108-45-2 ChemIDplus CAS:108-45-2 KEGG COMPOUND CAS:108-45-2 NIST Chemistry WebBook CAS:25265-76-3 KEGG COMPOUND PMID:1395635 Europe PMC PMID:22511621 Europe PMC PMID:23425124 Europe PMC PMID:23573921 Europe PMC Reaxys:471357 Reaxys benzene-1,3-diamine IUPAC 1,3-Benzenediamine KEGG_COMPOUND 1,3-Diaminobenzene ChemIDplus 3-Aminoaniline ChemIDplus 3-Phenylenediamine ChemIDplus m-Diaminobenzene KEGG_COMPOUND m-Phenylenediamine KEGG_COMPOUND meta-Phenylenediamine KEGG_COMPOUND A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. 0 C9H13NO2 InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 SONNWYBIRXJNDC-VIFPVBQESA-N 167.20500 167.09463 CNC[C@H](O)c1cccc(O)c1 CAS:59-42-7 DrugBank:DB00388 Drug_Central:2146 HMDB:HMDB0002182 KEGG:C07441 KEGG:D08365 LINCS:LSM-15380 PMID:10100801 PMID:11064374 PMID:11528305 PMID:12172708 PMID:15492464 PMID:15522277 PMID:15686119 PMID:19372348 PMID:19427353 PMID:24588024 PMID:25719378 PMID:25902390 PMID:26143019 PMID:26428281 PMID:26513673 PMID:26597497 PMID:26709790 PMID:26873547 PMID:26928367 PMID:26991619 PMID:26992790 PMID:27020488 PMID:27117950 PMID:27164015 PMID:27249899 PMID:27288620 PMID:28166217 PMID:7516005 PMID:7879981 PMID:8763311 PMID:8853328 Patent:US1932347 Patent:US1954389 Reaxys:3198815 Wikipedia:Phenylephrine 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol Phenylephrine chebi_ontology (-)-m-hydroxy-alpha-(methylaminomethyl)benzyl alcohol Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, (R)- Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, (R)- Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, (-)- R(-)-Phenylephrine fenilefrina l-(3-Hydroxyphenyl)-N-methylethanolamine phenylephrine phenylephrinum CHEBI:8093 phenylephrine CAS:59-42-7 ChemIDplus CAS:59-42-7 KEGG COMPOUND CAS:59-42-7 NIST Chemistry WebBook Drug_Central:2146 DrugCentral PMID:10100801 Europe PMC PMID:11064374 Europe PMC PMID:11528305 Europe PMC PMID:12172708 Europe PMC PMID:15492464 Europe PMC PMID:15522277 Europe PMC PMID:15686119 Europe PMC PMID:19372348 Europe PMC PMID:19427353 Europe PMC PMID:24588024 Europe PMC PMID:25719378 Europe PMC PMID:25902390 Europe PMC PMID:26143019 Europe PMC PMID:26428281 Europe PMC PMID:26513673 Europe PMC PMID:26597497 Europe PMC PMID:26709790 Europe PMC PMID:26873547 Europe PMC PMID:26928367 Europe PMC PMID:26991619 Europe PMC PMID:26992790 Europe PMC PMID:27020488 Europe PMC PMID:27117950 Europe PMC PMID:27164015 Europe PMC PMID:27249899 Europe PMC PMID:27288620 Europe PMC PMID:28166217 Europe PMC PMID:7516005 Europe PMC PMID:7879981 Europe PMC PMID:8763311 Europe PMC PMID:8853328 Europe PMC Reaxys:3198815 Reaxys 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol IUPAC Phenylephrine KEGG_COMPOUND (-)-m-hydroxy-alpha-(methylaminomethyl)benzyl alcohol NIST_Chemistry_WebBook Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, (R)- NIST_Chemistry_WebBook Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, (R)- ChemIDplus Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, (-)- ChemIDplus R(-)-Phenylephrine ChemIDplus fenilefrina ChemIDplus l-(3-Hydroxyphenyl)-N-methylethanolamine NIST_Chemistry_WebBook phenylephrine ChemIDplus phenylephrinum ChemIDplus A imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5. 0 C15H12N2O2 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N 252.26800 252.08988 O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 CHEBI:100921 Beilstein:384532 CAS:57-41-0 DrugBank:DB00252 Drug_Central:2152 HMDB:HMDB0014397 KEGG:C07443 KEGG:D00512 LINCS:LSM-5663 PMID:10698828 PMID:12952753 PMID:15246836 PMID:15744730 PMID:16303054 PMID:7105825 PMID:7602118 PMID:9186244 Patent:WO2012174723 Reaxys:384532 Wikipedia:Phenytoin 5,5-diphenylimidazolidine-2,4-dione chebi_ontology 5,5-Diphenyl-imidazolidine-2,4-dione 5,5-diphenylimidazolidine-2,4-dione 5,5-diphenyltetrahydro-1H-2,4-imidazoledione DILANTIN PHENTYTOIN fenitoina phenytoin phenytoine phenytoinum CHEBI:8107 phenytoin Beilstein:384532 Beilstein CAS:57-41-0 ChemIDplus CAS:57-41-0 KEGG COMPOUND Drug_Central:2152 DrugCentral PMID:10698828 Europe PMC PMID:12952753 Europe PMC PMID:15246836 Europe PMC PMID:15744730 Europe PMC PMID:16303054 Europe PMC PMID:7105825 Europe PMC PMID:7602118 Europe PMC PMID:9186244 Europe PMC Reaxys:384532 Reaxys 5,5-diphenylimidazolidine-2,4-dione IUPAC 5,5-Diphenyl-imidazolidine-2,4-dione ChEMBL 5,5-diphenylimidazolidine-2,4-dione ChEMBL 5,5-diphenyltetrahydro-1H-2,4-imidazoledione ChEMBL DILANTIN ChEMBL PHENTYTOIN ChEMBL fenitoina ChemIDplus phenytoin ChemIDplus phenytoine ChemIDplus phenytoinum ChemIDplus A diterpenoid with the structure of tigliane hydroxylated at C-4, -9, -12(beta), -13 and -20, with an oxo group at C-3 and unsaturation at the 1- and 6-positions. 0 C20H28O6 InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1 QGVLYPPODPLXMB-UBTYZVCOSA-N 364.433 364.18859 C=1[C@@]2([C@@]([C@]3([C@@](C(=O)C(=C3)C)(CC1CO)O)[H])([C@H](C)[C@H]([C@@]4([C@]2(C4(C)C)[H])O)O)O)[H] Beilstein:2341335 CAS:17673-25-5 KEGG:C09155 KNApSAcK:C00003465 LIPID_MAPS_instance:LMPR0104330001 PMID:27007853 (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one Phorbol chebi_ontology 4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on 4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one CHEBI:8116 phorbol Beilstein:2341335 Beilstein CAS:17673-25-5 ChemIDplus CAS:17673-25-5 KEGG COMPOUND LIPID_MAPS_instance:LMPR0104330001 LIPID MAPS PMID:27007853 Europe PMC (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one IUPAC Phorbol KEGG_COMPOUND 4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on ChemIDplus 4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one ChEBI 0 C10H18O InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3 HIPIENNKVJCMAP-UHFFFAOYSA-N 154.253 154.13577 C1(C(C1C=C(C)C)CO)(C)C CAS:5617-92-5 KEGG:C17611 chebi_ontology CHEBI:81217 chrysanthemol CAS:5617-92-5 KEGG COMPOUND 0 C12H26O6P2S4 InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3 VBKKVDGJXVOLNE-UHFFFAOYSA-N 456.53900 456.00875 CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC CAS:78-34-2 KEGG:C17877 PPDB:1100 VSDB:1100 chebi_ontology CHEBI:81364 Dioxation CAS:78-34-2 KEGG COMPOUND 0 C12H2Cl6O2 InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H WCYYQNSQJHPVMG-UHFFFAOYSA-N 390.86100 387.81860 Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl CAS:39227-28-6 KEGG:C18100 chebi_ontology 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin 1,2,3,4,7,8-HxCDD PCDD 66 CHEBI:81502 1,2,3,4,7,8-Hexachlorodibenzodioxin CAS:39227-28-6 KEGG COMPOUND 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin KEGG_COMPOUND 1,2,3,4,7,8-HxCDD KEGG_COMPOUND PCDD 66 KEGG_COMPOUND 0 C12H2Cl6O2 InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H YCLUIPQDHHPDJJ-UHFFFAOYSA-N 390.86100 387.81860 Clc1cc2Oc3c(Oc2c(Cl)c1Cl)cc(Cl)c(Cl)c3Cl CAS:57653-85-7 KEGG:C18101 chebi_ontology 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin 1,2,3,6,7,8-HxCDD PCDD 67 CHEBI:81503 1,2,3,6,7,8-Hexachlorodibenzodioxin CAS:57653-85-7 KEGG COMPOUND 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin KEGG_COMPOUND 1,2,3,6,7,8-HxCDD KEGG_COMPOUND PCDD 67 KEGG_COMPOUND 0 C12HCl7O2 InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H WCLNVRQZUKYVAI-UHFFFAOYSA-N 425.30600 421.77962 Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl CAS:35822-46-9 KEGG:C18103 chebi_ontology 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin 1,2,3,4,6,7,8-HpCDD PCDD 73 CHEBI:81505 1,2,3,4,6,7,8-Heptachlorodibenzodioxin CAS:35822-46-9 KEGG COMPOUND 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin KEGG_COMPOUND 1,2,3,4,6,7,8-HpCDD KEGG_COMPOUND PCDD 73 KEGG_COMPOUND 0 C12H4Cl4O InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H KSMVNVHUTQZITP-UHFFFAOYSA-N 305.97200 303.90163 Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl CAS:51207-31-9 KEGG:C18104 chebi_ontology 2,3,7,8-TCDF PCDF 83 CHEBI:81506 2,3,7,8-Tetrachlorodibenzofuran CAS:51207-31-9 KEGG COMPOUND 2,3,7,8-TCDF KEGG_COMPOUND PCDF 83 KEGG_COMPOUND 0 C12HCl7O InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H WDMKCPIVJOGHBF-UHFFFAOYSA-N 409.30700 405.78471 Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c1Cl CAS:67562-39-4 KEGG:C18111 chebi_ontology 1,2,3,4,6,7,8-HpCDF PCDF 131 CHEBI:81513 1,2,3,4,6,7,8-Heptachlorodibenzofuran CAS:67562-39-4 KEGG COMPOUND 1,2,3,4,6,7,8-HpCDF KEGG_COMPOUND PCDF 131 KEGG_COMPOUND 0 C12H6Cl4 InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H BHWVLZJTVIYLIV-UHFFFAOYSA-N 291.98800 289.92236 Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1 CAS:70362-50-4 KEGG:C18114 chebi_ontology PCB 81 CHEBI:81516 3,4,4',5-Tetrachlorobiphenyl CAS:70362-50-4 KEGG COMPOUND PCB 81 KEGG_COMPOUND 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H ZHLICBPIXDOFFG-UHFFFAOYSA-N 360.87800 357.84442 Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 CAS:32774-16-6 KEGG:C18115 chebi_ontology PCB 169 CHEBI:81517 3,4,5,3',4',5'-Hexachlorobiphenyl CAS:32774-16-6 KEGG COMPOUND PCB 169 KEGG_COMPOUND 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H WIDHRBRBACOVOY-UHFFFAOYSA-N 326.43300 323.88339 Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1Cl CAS:32598-14-4 KEGG:C18116 chebi_ontology PCB 105 CHEBI:81518 2,3,4,3',4'-Pentachlorobiphenyl CAS:32598-14-4 KEGG COMPOUND PCB 105 KEGG_COMPOUND 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H SXZSFWHOSHAKMN-UHFFFAOYSA-N 326.43300 323.88339 Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1Cl CAS:74472-37-0 KEGG:C18117 chebi_ontology PCB 114 CHEBI:81519 2,3,4,4',5-Pentachlorobiphenyl CAS:74472-37-0 KEGG COMPOUND PCB 114 KEGG_COMPOUND 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H IUTPYMGCWINGEY-UHFFFAOYSA-N 326.43300 323.88339 Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl CAS:31508-00-6 KEGG:C18118 chebi_ontology PCB 118 CHEBI:81520 2,3',4,4',5-Pentachlorobiphenyl CAS:31508-00-6 KEGG COMPOUND PCB 118 KEGG_COMPOUND 0 C12H5Cl5 InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H YAHNWSSFXMVPOU-UHFFFAOYSA-N 326.43300 323.88339 Clc1ccc(c(Cl)c1)-c1cc(Cl)c(Cl)c(Cl)c1 CAS:65510-44-3 KEGG:C18119 chebi_ontology PCB 123 CHEBI:81521 2,3',4,4',5'-Pentachlorobiphenyl CAS:65510-44-3 KEGG COMPOUND PCB 123 KEGG_COMPOUND 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H LCXMEXLGMKFLQO-UHFFFAOYSA-N 360.87800 357.84442 Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl CAS:38380-08-4 KEGG:C18120 chebi_ontology PCB 156 CHEBI:81522 2,3,3',4,4',5-Hexachlorobiphenyl CAS:38380-08-4 KEGG COMPOUND PCB 156 KEGG_COMPOUND 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H YTWXDQVNPCIEOX-UHFFFAOYSA-N 360.87800 357.84442 Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl CAS:69782-90-7 KEGG:C18121 chebi_ontology PCB 157 CHEBI:81523 2,3,3',4,4',5'-Hexachlorobiphenyl CAS:69782-90-7 KEGG COMPOUND PCB 157 KEGG_COMPOUND 0 C12H4Cl6 InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H AZXHAWRMEPZSSV-UHFFFAOYSA-N 360.87800 357.84442 Clc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 CAS:52663-72-6 KEGG:C18122 chebi_ontology PCB 167 CHEBI:81524 2,3',4,4',5,5'-Hexachlorobiphenyl CAS:52663-72-6 KEGG COMPOUND PCB 167 KEGG_COMPOUND 0 C12H3Cl7 InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H XUAWBXBYHDRROL-UHFFFAOYSA-N 395.32300 391.80544 Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl CAS:39635-31-9 KEGG:C18123 chebi_ontology PCB 189 CHEBI:81525 2,3,3',4,4',5,5'-Heptachlorobiphenyl CAS:39635-31-9 KEGG COMPOUND PCB 189 KEGG_COMPOUND 0 C12H4Br6O InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H RZXIRSKYBISPGF-UHFFFAOYSA-N 643.58400 637.53624 Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br CAS:68631-49-2 HMDB:HMDB0037525 KEGG:C18137 chebi_ontology BDE 153 CHEBI:81534 2,2',4,4',5,5'-Hexabromodiphenyl ether CAS:68631-49-2 KEGG COMPOUND BDE 153 KEGG_COMPOUND 0 C12H4Br6O InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H VHNPZYZQKWIWOD-UHFFFAOYSA-N 643.58400 637.53624 Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1 CAS:207122-15-4 HMDB:HMDB0037526 KEGG:C18138 chebi_ontology BDE 154 PBDE 154 CHEBI:81535 2,2',4,4',5,6'-Hexabromodiphenyl ether CAS:207122-15-4 KEGG COMPOUND BDE 154 KEGG_COMPOUND PBDE 154 KEGG_COMPOUND 0 C12H3Br7O InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H ILPSCQCLBHQUEM-UHFFFAOYSA-N 722.48000 715.44676 Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br CAS:207122-16-5 HMDB:HMDB0037546 KEGG:C18140 chebi_ontology 1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene BDE 183 CHEBI:81537 2,2',3,4,4',5',6-Heptabromodiphenyl ether CAS:207122-16-5 KEGG COMPOUND 1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene KEGG_COMPOUND BDE 183 KEGG_COMPOUND A polymer comprising ethylenebis(dithiocarbamate) units and (ammonia)zinc(II). It is used in agriculture for the control of scab in fruit, blight in tomatoes and potatoes, and downy mildew in hops and grapes. 0 (C16H33N11S16Zn3)n CAS:9006-42-2 KEGG:C18144 PMID:10774831 PMID:21544926 PMID:22555811 Pesticides:metiram Reaxys:11316510 chebi_ontology Amarex Polyram 80 metirame metirame zinc zinc ammoniate ethylenebis(dithiocarbamate)-poly(ethylenethiuram disulfide) zinc metiram CHEBI:81539 metiram CAS:9006-42-2 ChemIDplus CAS:9006-42-2 KEGG COMPOUND PMID:10774831 Europe PMC PMID:21544926 Europe PMC PMID:22555811 Europe PMC Pesticides:metiram Alan Wood's Pesticides Reaxys:11316510 Reaxys Amarex ChemIDplus Polyram 80 ChemIDplus metirame ChEBI metirame zinc ChemIDplus zinc ammoniate ethylenebis(dithiocarbamate)-poly(ethylenethiuram disulfide) ChemIDplus zinc metiram ChemIDplus 0 C8Cl8 InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12 RUYUCCQRWINUHE-UHFFFAOYSA-N 379.71000 375.75082 ClC(Cl)=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl CAS:29082-74-4 KEGG:C18148 chebi_ontology CHEBI:81542 Octachlorostyrene CAS:29082-74-4 KEGG COMPOUND 0 C18H18O4 InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1 HVDGDHBAMCBBLR-PBHICJAKSA-N 298.33310 298.12051 Oc1cccc(C[C@@H]2COC(=O)[C@H]2Cc2cccc(O)c2)c1 CAS:76543-15-2 CAS:78473-71-9 HMDB:HMDB0006101 KEGG:C18165 KNApSAcK:C00000703 MetaCyc:2-CHLORO-TRANS-DIENELACTONE PMID:11216511 PMID:12107024 PMID:12270221 PMID:16168401 PMID:17976571 chebi_ontology 2,3-Bis(3'-hydroxybenzyl)butyrolactone 3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone CHEBI:81555 Enterolactone CAS:76543-15-2 KEGG COMPOUND CAS:78473-71-9 KEGG COMPOUND PMID:11216511 Europe PMC PMID:12107024 Europe PMC PMID:12270221 Europe PMC PMID:16168401 Europe PMC PMID:17976571 Europe PMC 2,3-Bis(3'-hydroxybenzyl)butyrolactone HMDB 3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone HMDB 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one HMDB Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone HMDB 0 C18H22O4 InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1 DWONJCNDULPHLV-HOTGVXAUSA-N 302.36490 302.15181 OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1 CAS:80226-00-2 HMDB:HMDB0005056 KEGG:C18166 PMID:12270221 PMID:17976571 chebi_ontology (-)-Enterodiol (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol Arbo 9 [R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol CHEBI:81556 Enterodiol CAS:80226-00-2 KEGG COMPOUND PMID:12270221 Europe PMC PMID:17976571 Europe PMC (-)-Enterodiol HMDB (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol HMDB (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol HMDB Arbo 9 HMDB [R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol HMDB CHEBI:138153 chebi_ontology CHEBI:81567 thyroid stimulating hormone A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines. 0 C12H5Br5O InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H WHPVYXDFIXRKLN-UHFFFAOYSA-N 564.686 559.62573 O(C=1C=C(C(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br CAS:60348-60-9 HMDB:HMDB0037516 KEGG:C18203 PMID:23258742 PMID:25081382 PMID:25747361 PMID:25908029 PMID:25956475 PMID:26505652 PMID:26923239 PMID:27343407 PMID:27471519 PMID:28006665 PMID:28007175 PMID:28034496 PMID:28104345 PMID:28317842 PMID:28512710 PMID:28525869 PMID:28557710 Reaxys:7538447 2,4-dibromophenyl 2,4,5-tribromophenyl ether chebi_ontology 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene 2,2',4,4',5-pentabromodiphenyl ether BDE 99 BDE-99 PBDE 99 PBDE-99 CHEBI:81582 2,4-dibromophenyl 2,4,5-tribromophenyl ether CAS:60348-60-9 ChemIDplus CAS:60348-60-9 KEGG COMPOUND CAS:60348-60-9 NIST Chemistry WebBook PMID:23258742 Europe PMC PMID:25081382 Europe PMC PMID:25747361 Europe PMC PMID:25908029 Europe PMC PMID:25956475 Europe PMC PMID:26505652 Europe PMC PMID:26923239 Europe PMC PMID:27343407 Europe PMC PMID:27471519 Europe PMC PMID:28006665 Europe PMC PMID:28007175 Europe PMC PMID:28034496 Europe PMC PMID:28104345 Europe PMC PMID:28317842 Europe PMC PMID:28512710 Europe PMC PMID:28525869 Europe PMC PMID:28557710 Europe PMC Reaxys:7538447 Reaxys 2,4-dibromophenyl 2,4,5-tribromophenyl ether IUPAC 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene ChemIDplus 2,2',4,4',5-pentabromodiphenyl ether ChemIDplus BDE 99 KEGG_COMPOUND BDE-99 ChemIDplus PBDE 99 KEGG_COMPOUND PBDE-99 ChEBI 0 C12H6Br4O InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H XYBSIYMGXVUVGY-UHFFFAOYSA-N 485.79100 481.71522 Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1 CAS:5436-43-1 HMDB:HMDB0037547 KEGG:C18205 PMID:17937301 PMID:19539352 PMID:21237513 PMID:22885218 PMID:23014954 2,2',4,4'-Tetrabromodiphenyl ether chebi_ontology 1,1'-Oxybis(2,4-dibromo-Benzene 1,1'-Oxybis(2,4-dibromobenzene) 1,1'-Oxybis[2,4-dibromobenzene], 9CI 2,2',4,4'-TetraBDE 2,2'4,4'-Tetrabromodiphenyl ether 2,4-dibromo-1-(2,4-dibromophenoxy)benzene BDE 47 Dibromophenyl ether PBDE 47 PBDE-47 CHEBI:81584 2,2',4,4'-Tetrabromodiphenyl ether CAS:5436-43-1 KEGG COMPOUND PMID:17937301 Europe PMC PMID:19539352 Europe PMC PMID:21237513 Europe PMC PMID:22885218 Europe PMC PMID:23014954 Europe PMC 2,2',4,4'-Tetrabromodiphenyl ether HMDB 1,1'-Oxybis(2,4-dibromo-Benzene HMDB 1,1'-Oxybis(2,4-dibromobenzene) HMDB 1,1'-Oxybis[2,4-dibromobenzene], 9CI HMDB 2,2',4,4'-TetraBDE HMDB 2,2'4,4'-Tetrabromodiphenyl ether HMDB 2,4-dibromo-1-(2,4-dibromophenoxy)benzene HMDB BDE 47 KEGG_COMPOUND Dibromophenyl ether HMDB PBDE 47 KEGG_COMPOUND PBDE-47 HMDB 0 C2H4Cl2 InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 SCYULBFZEHDVBN-UHFFFAOYSA-N 98.95900 97.96901 CC(Cl)Cl CAS:75-34-3 KEGG:C18247 PPDB:1634 chebi_ontology CHEBI:81599 1,1-Dichloroethane CAS:75-34-3 KEGG COMPOUND A carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken. 0 C8H10N2O4S InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) VGPYEHKOIGNJKV-UHFFFAOYSA-N 230.24100 230.03613 COC(=O)NS(=O)(=O)c1ccc(N)cc1 AGR:IND44109762 CAS:3337-71-1 KEGG:C18350 PMID:1452156 PMID:18965512 PMID:29673416 PMID:6711013 PPDB:1551 Patent:BE622214 Patent:CN101492401 Patent:CN101704771 Pesticides:asulam Reaxys:2697523 Wikipedia:Asulam methyl [(4-aminophenyl)sulfonyl]carbamate chebi_ontology 4-Amino-benzolsulfonyl-methylcarbamat N(1)-methoxycarbonylsulfanilamide asulame methyl N-(4-aminobenzenesulfonyl)carbamate methyl sulfanilylcarbamate CHEBI:81696 asulam AGR:IND44109762 Europe PMC CAS:3337-71-1 ChemIDplus CAS:3337-71-1 KEGG COMPOUND CAS:3337-71-1 NIST Chemistry WebBook PMID:1452156 Europe PMC PMID:18965512 Europe PMC PMID:29673416 Europe PMC PMID:6711013 Europe PMC Pesticides:asulam Alan Wood's Pesticides Reaxys:2697523 Reaxys methyl [(4-aminophenyl)sulfonyl]carbamate IUPAC 4-Amino-benzolsulfonyl-methylcarbamat ChemIDplus N(1)-methoxycarbonylsulfanilamide ChemIDplus asulame ChemIDplus methyl N-(4-aminobenzenesulfonyl)carbamate ChemIDplus methyl sulfanilylcarbamate ChemIDplus 0 C13H19ClNO3PS2 InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3 NXQDBZGWYSEGFL-UHFFFAOYSA-N 367.85200 367.02325 COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1 CAS:64249-01-0 KEGG:C18394 PPDB:1175 chebi_ontology CHEBI:81728 Anilofos CAS:64249-01-0 KEGG COMPOUND A carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide. 0 C16H16N2O4 InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) WZJZMXBKUWKXTQ-UHFFFAOYSA-N 300.30920 300.11101 CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1 CAS:13684-56-5 KEGG:C18417 PMID:11601459 PMID:21374783 PMID:3412424 PPDB:207 Pesticides:desmedipham Reaxys:2395716 chebi_ontology 3-Ethoxycarbonylaminophenyl-N-phenylcarbamate 3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate Ethyl 3'-phenylcarbamoyloxycarbanilate CHEBI:81733 desmedipham CAS:13684-56-5 ChemIDplus CAS:13684-56-5 KEGG COMPOUND PMID:11601459 Europe PMC PMID:21374783 Europe PMC PMID:3412424 Europe PMC Pesticides:desmedipham Alan Wood's Pesticides Reaxys:2395716 Reaxys 3-Ethoxycarbonylaminophenyl-N-phenylcarbamate ChemIDplus 3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate IUPAC Ethyl 3'-phenylcarbamoyloxycarbanilate ChemIDplus A carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group. 0 C16H16N2O4 InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) IDOWTHOLJBTAFI-UHFFFAOYSA-N 300.30920 300.11101 COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 CAS:13684-63-4 KEGG:C18420 PMID:11409536 PMID:2606004 PMID:7919217 PPDB:516 Pesticides:phenmedipham Reaxys:2395027 chebi_ontology 3-(methoxyformamido)phenyl (3-methylphenyl)carbamate 3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate 3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate methyl 3-(3-methylcarbaniloyloxy)carbanilate CHEBI:81734 phenmedipham CAS:13684-63-4 ChemIDplus CAS:13684-63-4 KEGG COMPOUND PMID:11409536 Europe PMC PMID:2606004 Europe PMC PMID:7919217 Europe PMC Pesticides:phenmedipham Alan Wood's Pesticides Reaxys:2395027 Reaxys 3-(methoxyformamido)phenyl (3-methylphenyl)carbamate Alan_Wood's_Pesticides 3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate ChEBI 3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate ChemIDplus methyl 3-(3-methylcarbaniloyloxy)carbanilate Alan_Wood's_Pesticides A diastereoisomeric mixture composed of the enantiomeric pair (2R,3S)- and (2S,3R)-cyproconazole in ratio 1:1 with the enantiomeric pair (2R,3R)- and (2S,3S)-cyproconazole. A broad spectrum fungicide, it is used on cereals and other field crops used to control Septoria, rust, powdery mildew and other diseases. CAS:94361-06-5 KEGG:C18456 PMID:23708404 PMID:24691702 PMID:25182419 Pesticides:cyproconazole Reaxys:8324780 rac-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chebi_ontology alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-1N-1,2,4-triazole-1-ethanol CHEBI:81758 cyproconazole CAS:94361-06-5 ChemIDplus CAS:94361-06-5 KEGG COMPOUND PMID:23708404 Europe PMC PMID:24691702 Europe PMC PMID:25182419 Europe PMC Pesticides:cyproconazole Alan Wood's Pesticides Reaxys:8324780 Reaxys rac-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-1N-1,2,4-triazole-1-ethanol Alan_Wood's_Pesticides A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. 0 C19H17Cl2N3O3 InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3 BQYJATMQXGBDHF-UHFFFAOYSA-N 406.26300 405.06470 CC1COC(Cn2cncn2)(O1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl CAS:119446-68-3 KEGG:C18459 PMID:24405376 PMID:25172726 PMID:25306325 PPDB:230 Pesticides:difenoconazole Reaxys:9073356 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole chebi_ontology CHEBI:81760 difenoconazole CAS:119446-68-3 ChemIDplus CAS:119446-68-3 KEGG COMPOUND CAS:119446-68-3 NIST Chemistry WebBook PMID:24405376 Europe PMC PMID:25172726 Europe PMC PMID:25306325 Europe PMC Pesticides:difenoconazole Alan Wood's Pesticides Reaxys:9073356 Reaxys 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole IUPAC A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops. CHEBI:83566 CAS:107534-96-3 KEGG:C18489 PMID:24200952 PMID:24522828 PMID:24920897 PMID:25300182 Pesticides:tebuconazole Reaxys:6686475 Wikipedia:Tebuconazole rac-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol chebi_ontology (RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol Ethyltrianol Fenetrazole Terbuconazole CHEBI:81781 tebuconazole CAS:107534-96-3 ChemIDplus CAS:107534-96-3 KEGG COMPOUND PMID:24200952 Europe PMC PMID:24522828 Europe PMC PMID:24920897 Europe PMC PMID:25300182 Europe PMC Pesticides:tebuconazole Alan Wood's Pesticides Reaxys:6686475 Reaxys rac-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol IUPAC (RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol Alan_Wood's_Pesticides Ethyltrianol ChemIDplus Fenetrazole ChemIDplus Terbuconazole ChemIDplus A member of the class of ureas that is urea in which the two nitrogen atoms are substituted by an ethyl group and a 2-cyano-2-(methoxyimino)acetyl group respectively. A fungicide used to control Peronosporales on a range of crops including vines, hops and potatoes. 0 C7H10N4O3 InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13) XERJKGMBORTKEO-UHFFFAOYSA-N 198.17930 198.07529 CCNC(=O)NC(=O)C(=NOC)C#N CAS:57966-95-7 KEGG:C18498 PMID:24791955 PMID:25212392 PMID:25236328 PMID:25306333 PPDB:196 Pesticides:cymoxanil Reaxys:2214017 2-cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide chebi_ontology 1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea CHEBI:81788 cymoxanil CAS:57966-95-7 ChemIDplus CAS:57966-95-7 KEGG COMPOUND CAS:57966-95-7 NIST Chemistry WebBook PMID:24791955 Europe PMC PMID:25212392 Europe PMC PMID:25236328 Europe PMC PMID:25306333 Europe PMC Pesticides:cymoxanil Alan Wood's Pesticides Reaxys:2214017 Reaxys 2-cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide IUPAC 1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea ChemIDplus A racemate composed of equimolar amounts of (R)- and (S)-dimethenamid. A herbicide, it is applied to the soil for the control of various broad-leaved weeds and grasses. Only the S enantiomer (generally known as dimethenamid-P) is active. CAS:87674-68-8 KEGG:C18499 PMID:20302364 PMID:23041034 Pesticides:dimethenamid Reaxys:8143313 Wikipedia:Dimethenamid rac-2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide chebi_ontology (RS)-2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide CHEBI:81789 dimethenamid CAS:87674-68-8 ChemIDplus CAS:87674-68-8 KEGG COMPOUND CAS:87674-68-8 NIST Chemistry WebBook PMID:20302364 Europe PMC PMID:23041034 Europe PMC Pesticides:dimethenamid Alan Wood's Pesticides Reaxys:8143313 Reaxys rac-2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide IUPAC (RS)-2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide Alan_Wood's_Pesticides A racemate comprising equimolar amounts of (R)-fluazipop (the active enantiomer, also known as fluazifop-P) and (S)-fluazifop (the inactive enantiomer). Both fluazifop and fluazifop-P have been used (generally as the corresponidng n-butyl esters, known as fluazifop-butyl and fluazifop-P-butyl, respectively) as herbicides for the pre-emergence control of grass weeds in a variety of crops. 0 C15H12F3NO4 327.256 327.07184 CAS:69335-91-7 KEGG:C18527 PMID:22203322 PMID:24861927 Pesticides:fluazifop Reaxys:1552236 rac-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid chebi_ontology (RS)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid CHEBI:81805 fluazifop CAS:69335-91-7 ChemIDplus CAS:69335-91-7 KEGG COMPOUND PMID:22203322 Europe PMC PMID:24861927 Europe PMC Pesticides:fluazifop Alan Wood's Pesticides Reaxys:1552236 Reaxys rac-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid IUPAC (RS)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid Alan_Wood's_Pesticides A monocarboxylic acid that is butyric acid substituted by a 2-methyl-4-chlorophenoxy group at position 4. 0 C11H13ClO3 InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14) LLWADFLAOKUBDR-UHFFFAOYSA-N 228.67200 228.05532 Cc1cc(Cl)ccc1OCCCC(O)=O CAS:94-81-5 KEGG:C18529 PMID:22500447 PPDB:428 Pesticides:mcpb Reaxys:2215202 4-(4-chloro-2-methylphenoxy)butanoic acid chebi_ontology 4-(4-chloro-o-tolyloxy)butyric acid MCPB CHEBI:81806 2-methyl-4-chlorophenoxybutyric acid CAS:94-81-5 ChemIDplus CAS:94-81-5 KEGG COMPOUND CAS:94-81-5 NIST Chemistry WebBook PMID:22500447 Europe PMC Pesticides:mcpb Alan Wood's Pesticides Reaxys:2215202 Reaxys 4-(4-chloro-2-methylphenoxy)butanoic acid IUPAC 4-(4-chloro-o-tolyloxy)butyric acid Alan_Wood's_Pesticides MCPB KEGG_COMPOUND A racemate coprising equimolar amounts of quizalofop-P-ethyl and its enantiomer, (S)-quizalofop-ethyl. A proherbicide for quizalofop. 0 C19H17ClN2O4 372.803 372.08768 AGR:IND43812128 AGR:IND91003865 CAS:76578-14-8 KEGG:C18530 PMID:22566128 PMID:24964043 PMID:26971169 Patent:DE3004770 Patent:FR2655239 Pesticides:derivatives/quizalofop-ethyl Reaxys:7145610 rac-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate chebi_ontology (+-)-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate ethyl (2RS)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate rac-ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate rac-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate CHEBI:81807 quizalofop-ethyl AGR:IND43812128 Europe PMC AGR:IND91003865 Europe PMC CAS:76578-14-8 Alan Wood's Pesticides CAS:76578-14-8 ChemIDplus CAS:76578-14-8 KEGG COMPOUND CAS:76578-14-8 NIST Chemistry WebBook PMID:22566128 Europe PMC PMID:24964043 Europe PMC PMID:26971169 Europe PMC Pesticides:derivatives/quizalofop-ethyl Alan Wood's Pesticides Reaxys:7145610 Reaxys rac-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate IUPAC (+-)-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate ChEBI ethyl (2RS)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate Alan_Wood's_Pesticides rac-ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate Alan_Wood's_Pesticides rac-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate ChEBI 0 C17H29NO3S InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+ CSPPKDPQLUUTND-NBVRZTHBSA-N 327.48200 327.18681 CCCC(=N/OCC)\C1=C(O)CC(CC(C)SCC)CC1=O CAS:74051-80-2 KEGG:C18539 chebi_ontology CHEBI:81815 Sethoxydim CAS:74051-80-2 KEGG COMPOUND An ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol. 0 C13H16O5 InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11- RVKCCVTVZORVGD-QXMHVHEDSA-N 252.264 252.09977 C/1(\C(CC(CC1=O)C(OCC)=O)=O)=C(\C2CC2)/O AGR:IND44384082 CAS:95266-40-3 KEGG:C18541 Patent:EP126713 Patent:US2011230347 Patent:US4693745 Pesticides:derivatives/trinexapac-ethyl Reaxys:11736961 ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate chebi_ontology ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate CHEBI:81817 trinexapac-ethyl AGR:IND44384082 Europe PMC CAS:95266-40-3 Alan Wood's Pesticides CAS:95266-40-3 ChemIDplus CAS:95266-40-3 KEGG COMPOUND CAS:95266-40-3 NIST Chemistry WebBook Pesticides:derivatives/trinexapac-ethyl Alan Wood's Pesticides Reaxys:11736961 Reaxys ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate IUPAC ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate Alan_Wood's_Pesticides ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate Alan_Wood's_Pesticides A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. 0 C7H3I2NO InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H NRXQIUSYPAHGNM-UHFFFAOYSA-N 370.91380 370.83040 Oc1c(I)cc(cc1I)C#N CAS:1689-83-4 KEGG:C18546 PMID:22893975 PMID:24449421 PPDB:402 Pesticides:ioxynil Reaxys:2364041 4-hydroxy-3,5-diiodobenzonitrile chebi_ontology Actril Bentrol Loxynil CHEBI:81821 ioxynil CAS:1689-83-4 ChemIDplus CAS:1689-83-4 KEGG COMPOUND PMID:22893975 Europe PMC PMID:24449421 Europe PMC Pesticides:ioxynil Alan Wood's Pesticides Reaxys:2364041 Reaxys 4-hydroxy-3,5-diiodobenzonitrile IUPAC Actril ChemIDplus Bentrol ChemIDplus Loxynil ChemIDplus A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. 0 C18H12Cl2N2O InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23) WYEMLYFITZORAB-UHFFFAOYSA-N 343.20700 342.03267 Clc1ccc(cc1)-c1ccccc1NC(=O)c1cccnc1Cl CAS:188425-85-6 KEGG:C18547 PMID:24380616 PMID:24711278 PMID:24893153 PMID:24901961 PMID:24936710 PPDB:86 Pesticides:boscalid Reaxys:10092464 2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide chebi_ontology 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide CHEBI:81822 boscalid CAS:188425-85-6 ChemIDplus CAS:188425-85-6 KEGG COMPOUND PMID:24380616 Europe PMC PMID:24711278 Europe PMC PMID:24893153 Europe PMC PMID:24901961 Europe PMC PMID:24936710 Europe PMC Pesticides:boscalid Alan Wood's Pesticides Reaxys:10092464 Reaxys 2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide IUPAC 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide Alan_Wood's_Pesticides 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide Alan_Wood's_Pesticides A pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2. 0 C19H11F5N2O2 InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27) WYEHFWKAOXOVJD-UHFFFAOYSA-N 394.29490 394.07407 Fc1ccc(NC(=O)c2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1 CHEBI:83567 CAS:83164-33-4 KEGG:C18549 PMID:22961490 PMID:23887887 PMID:25096492 PPDB:235 Pesticides:diflufenican Reaxys:4212494 N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide chebi_ontology 2',4'-Difluoro-2-(alpha,alpha,alpha-trifluoro-m-tolyloxy)nicotinanilide CHEBI:81824 diflufenican CAS:83164-33-4 ChemIDplus CAS:83164-33-4 KEGG COMPOUND PMID:22961490 Europe PMC PMID:23887887 Europe PMC PMID:25096492 Europe PMC Pesticides:diflufenican Alan Wood's Pesticides Reaxys:4212494 Reaxys N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide IUPAC 2',4'-Difluoro-2-(alpha,alpha,alpha-trifluoro-m-tolyloxy)nicotinanilide ChemIDplus A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2. 0 C10H8ClN3O InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2 WYKYKTKDBLFHCY-UHFFFAOYSA-N 221.64300 221.03559 Nc1cnn(-c2ccccc2)c(=O)c1Cl CAS:1698-60-8 KEGG:C18570 PMID:22575008 PMID:23562547 PMID:25149238 PPDB:141 Patent:NZ244108 Pesticides:chloridazon Reaxys:397241 5-amino-4-chloro-2-phenylpyridazin-3(2H)-one chebi_ontology Clorizol Curbetan Pyrazonl chloridazone pyrazon CHEBI:81838 chloridazon CAS:1698-60-8 ChemIDplus CAS:1698-60-8 KEGG COMPOUND CAS:1698-60-8 NIST Chemistry WebBook PMID:22575008 Europe PMC PMID:23562547 Europe PMC PMID:25149238 Europe PMC Pesticides:chloridazon Alan Wood's Pesticides Reaxys:397241 Reaxys 5-amino-4-chloro-2-phenylpyridazin-3(2H)-one IUPAC Clorizol ChemIDplus Curbetan ChemIDplus Pyrazonl ChemIDplus chloridazone NIST_Chemistry_WebBook pyrazon NIST_Chemistry_WebBook A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens. 0 C13H4Cl2F6N4O4 InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23) UZCGKGPEKUCDTF-UHFFFAOYSA-N 465.09200 463.95138 [O-][N+](=O)c1cc(c(Cl)c(c1Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F CAS:79622-59-6 KEGG:C18578 PMID:19837458 PMID:21907236 PMID:22465686 PMID:23464902 PMID:24427089 PMID:24813983 PMID:7774188 PPDB:325 Patent:NZ582589 Patent:WO2011092618 Pesticides:fluazinam Reaxys:4772672 Wikipedia:Fluazinam 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine chebi_ontology 3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine Shirlan CHEBI:81843 fluazinam CAS:79622-59-6 ChemIDplus CAS:79622-59-6 KEGG COMPOUND PMID:19837458 Europe PMC PMID:21907236 Europe PMC PMID:22465686 Europe PMC PMID:23464902 Europe PMC PMID:24427089 Europe PMC PMID:24813983 Europe PMC PMID:7774188 Europe PMC Pesticides:fluazinam Alan Wood's Pesticides Reaxys:4772672 Reaxys 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine IUPAC 3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine Alan_Wood's_Pesticides Shirlan ChemIDplus A mixture of (E)- and (Z)-dimethomorph in an unspecified ratio. It is used as a systemic fungicide used on vines, potatoes, and greenhouse crops; only the Z isomer has fungicidal activity. 0 C21H22ClNO4 InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3 QNBTYORWCCMPQP-UHFFFAOYSA-N 387.85700 387.12374 COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(Cl)cc1 CAS:110488-70-5 KEGG:C18583 PMID:23496017 PMID:25306333 PPDB:245 Patent:EP294907 Patent:US4933449 Pesticides:dimethomorph Reaxys:8396839 (2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one chebi_ontology 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine CHEBI:81848 dimethomorph CAS:110488-70-5 ChemIDplus CAS:110488-70-5 KEGG COMPOUND PMID:23496017 Europe PMC PMID:25306333 Europe PMC Pesticides:dimethomorph Alan Wood's Pesticides Reaxys:8396839 Reaxys (2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one IUPAC 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine ChemIDplus A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6. 0 C8H6Cl2O3 InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) IWEDIXLBFLAXBO-UHFFFAOYSA-N 221.030 219.96940 C1(=CC=C(C(=C1OC)C(O)=O)Cl)Cl AGR:IND607347510 CAS:1918-00-9 HMDB:HMDB0251180 KEGG:C18597 PDBeChem:D3M PMID:23726069 PMID:24351123 PMID:24420721 PMID:34817161 PMID:35170207 PMID:35926599 PMID:36033860 PMID:36181421 PMID:36205187 PMID:36297822 PPDB:213 Patent:US2014329681 Pesticides:dicamba Reaxys:2453039 Wikipedia:Dicamba 3,6-dichloro-2-methoxybenzoic acid chebi_ontology 3,6-dichloro-o-anisic acid CHEBI:81856 dicamba AGR:IND607347510 Europe PMC CAS:1918-00-9 ChemIDplus CAS:1918-00-9 KEGG COMPOUND CAS:1918-00-9 NIST Chemistry WebBook PMID:23726069 Europe PMC PMID:24351123 Europe PMC PMID:24420721 Europe PMC PMID:34817161 Europe PMC PMID:35170207 Europe PMC PMID:35926599 Europe PMC PMID:36033860 Europe PMC PMID:36181421 Europe PMC PMID:36205187 Europe PMC PMID:36297822 Europe PMC Pesticides:dicamba Alan Wood's Pesticides Reaxys:2453039 Reaxys 3,6-dichloro-2-methoxybenzoic acid IUPAC 3,6-dichloro-o-anisic acid NIST_Chemistry_WebBook A racemate composed of equimolar amounts of (S)- and (R)-imazamox. An inhibitor of acetohydroxyacid synthase, it is used (particularly as the corresponding ammonium salt, known as imazamox-ammonium) as a herbicide for the control of grass, broad-leaf weeds, and pond weed. 0 C15H19N3O4 305.330 305.13756 CAS:114311-32-9 KEGG:C18598 PMID:23934624 PMID:24184452 PMID:24861929 PMID:26283531 PMID:26508428 PMID:26560850 PMID:26616105 Pesticides:imazamox Reaxys:8217634 rac-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid chebi_ontology 2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid rac-5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid CHEBI:81857 imazamox CAS:114311-32-9 KEGG COMPOUND PMID:23934624 Europe PMC PMID:24184452 Europe PMC PMID:24861929 Europe PMC PMID:26283531 Europe PMC PMID:26508428 Europe PMC PMID:26560850 Europe PMC PMID:26616105 Europe PMC Pesticides:imazamox Alan Wood's Pesticides Reaxys:8217634 Reaxys rac-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid IUPAC 2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid Alan_Wood's_Pesticides 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid Alan_Wood's_Pesticides rac-5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid IUPAC 0 C3H4Cl2O2 InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7) NDUPDOJHUQKPAG-UHFFFAOYSA-N 142.96900 141.95883 CC(Cl)(Cl)C(O)=O CAS:75-99-0 KEGG:C18600 PPDB:1613 chebi_ontology 2,2-DPA 2,2-Dichloropropanoic acid CHEBI:81859 Dalapon CAS:75-99-0 KEGG COMPOUND 2,2-DPA KEGG_COMPOUND 2,2-Dichloropropanoic acid KEGG_COMPOUND A racemate composed of equimolar amounts of (R)- and (S)-diclofop. It is a metabolite of declofop-methyl and a postemergence herbicide used for the control of wild oats and annual weeds in wheat, barley, rye and broad-leaved crops. 0 C15H12Cl2O4 327.160 326.01126 CAS:40843-25-2 KEGG:C18716 PMID:22770422 PMID:23785039 PMID:24240105 PMID:28884187 PMID:30375865 PPDB:764 Pesticides:diclofop Reaxys:2338390 rac-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid chebi_ontology (+-)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (RS)-2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid HOE 021079 HOE-021079 dichlorfop acid diclofop acid diclofop free acid rac-(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid CHEBI:81909 diclofop CAS:40843-25-2 ChemIDplus CAS:40843-25-2 NIST Chemistry WebBook PMID:22770422 Europe PMC PMID:23785039 Europe PMC PMID:24240105 Europe PMC PMID:28884187 Europe PMC PMID:30375865 Europe PMC Pesticides:diclofop Alan Wood's Pesticides Reaxys:2338390 Reaxys rac-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid IUPAC (+-)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid ChEBI (RS)-2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid ChemIDplus HOE 021079 PPDB HOE-021079 ChEBI dichlorfop acid ChemIDplus diclofop acid ChemIDplus diclofop free acid ChEBI rac-(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid Alan_Wood's_Pesticides An organochlorine compound that is 2-chloroacetamide substituted by a 2-methoxyethyl and a 2,6-dimethylphenyl group at the nitrogen atom. 0 C13H18ClNO2 InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3 SCCDDNKJYDZXMM-UHFFFAOYSA-N 255.74100 255.10261 COCCN(C(=O)CCl)c1c(C)cccc1C CAS:50563-36-5 KEGG:C18718 PMID:20632088 PMID:22961490 PMID:23374295 PPDB:239 Pesticides:dimethachlor Reaxys:2982991 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide chebi_ontology CHEBI:81911 dimethachlor CAS:50563-36-5 ChemIDplus CAS:50563-36-5 KEGG COMPOUND CAS:50563-36-5 NIST Chemistry WebBook PMID:20632088 Europe PMC PMID:22961490 Europe PMC PMID:23374295 Europe PMC Pesticides:dimethachlor Alan Wood's Pesticides Reaxys:2982991 Reaxys 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide IUPAC 0 C6H10O4S2 InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3 PHVNLLCAQHGNKU-UHFFFAOYSA-N 210.27100 210.00205 CC1=C(C)S(=O)(=O)CCS1(=O)=O CAS:55290-64-7 KEGG:C18719 PPDB:242 chebi_ontology 2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide CHEBI:81912 Dimethipin CAS:55290-64-7 KEGG COMPOUND 2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide KEGG_COMPOUND 0 C16H17NO InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3 QAHFOPIILNICLA-UHFFFAOYSA-N 239.31230 239.13101 CN(C)C(=O)C(c1ccccc1)c1ccccc1 CAS:957-51-7 KEGG:C18722 PPDB:255 chebi_ontology CHEBI:81915 Diphenamid CAS:957-51-7 KEGG COMPOUND A racemate comprising equimolar amounts of (R)- and (S)-fenpropidin. A systemic fungicide, it is used for the control of foliar diseases in cereals and sugar beet. 0 C19H31N 273.45610 273.24565 AGR:IND91056129 CAS:67306-00-7 KEGG:C18726 PMID:22078112 PMID:2591378 PPDB:307 Pesticides:fenpropidin Reaxys:1245248 rac-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine chebi_ontology (+-)-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine (RS)-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine Patrol Ro 12-3049 Ro-12-3049 fenpropidine CHEBI:81917 fenpropidin AGR:IND91056129 Europe PMC CAS:67306-00-7 ChemIDplus CAS:67306-00-7 KEGG COMPOUND CAS:67306-00-7 NIST Chemistry WebBook PMID:22078112 Europe PMC PMID:2591378 Europe PMC Pesticides:fenpropidin Alan Wood's Pesticides Reaxys:1245248 Reaxys rac-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine IUPAC (+-)-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine ChEBI (RS)-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine ChEBI Patrol ChemIDplus Ro 12-3049 ChemIDplus Ro-12-3049 NIST_Chemistry_WebBook fenpropidine ChemIDplus An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group. 0 C14H13F4N3O2S InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3 IANUJLZYFUDJIH-UHFFFAOYSA-N 363.33100 363.06646 CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c1ccc(F)cc1 CAS:142459-58-3 KEGG:C18731 PMID:24007479 PPDB:331 Patent:US2011152087 Patent:US2011152089 Patent:US2011160059 Pesticides:flufenacet Reaxys:8787751 Wikipedia:Flufenacet N-(4-fluorophenyl)-N-(propan-2-yl)-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy}acetamide chebi_ontology 4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide Thiafluamide CHEBI:81920 flufenacet CAS:142459-58-3 ChemIDplus CAS:142459-58-3 KEGG COMPOUND PMID:24007479 Europe PMC Pesticides:flufenacet Alan Wood's Pesticides Reaxys:8787751 Reaxys N-(4-fluorophenyl)-N-(propan-2-yl)-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy}acetamide IUPAC 4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide Alan_Wood's_Pesticides Thiafluamide ChemIDplus An organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. 0 C16H15F2N3Si InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3 FQKUGOMFVDPBIZ-UHFFFAOYSA-N 315.39270 315.10033 C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1 AGR:IND20337341 AGR:IND20616435 AGR:IND90014030 AGR:IND91021305 AGR:IND91051285 CAS:85509-19-9 CAS:96827-34-8 HMDB:HMDB0039815 KEGG:C18733 PMID:17187383 PMID:21238576 PMID:21290102 PMID:22382673 PMID:23657738 PMID:25149233 PPDB:350 Patent:EP68813 Patent:US4510136 Pesticides:flusilazole Reaxys:5824097 Wikipedia:Flusilazole 1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole chebi_ontology 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole DPX-H 6573 Nustar bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane flusilazol CHEBI:81922 flusilazole AGR:IND20337341 Europe PMC AGR:IND20616435 Europe PMC AGR:IND90014030 Europe PMC AGR:IND91021305 Europe PMC AGR:IND91051285 Europe PMC CAS:85509-19-9 Alan Wood's Pesticides CAS:85509-19-9 ChemIDplus CAS:85509-19-9 KEGG COMPOUND CAS:96827-34-8 NIST Chemistry WebBook PMID:17187383 Europe PMC PMID:21238576 Europe PMC PMID:21290102 Europe PMC PMID:22382673 Europe PMC PMID:23657738 Europe PMC PMID:25149233 Europe PMC Pesticides:flusilazole Alan Wood's Pesticides Reaxys:5824097 Reaxys 1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole IUPAC 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole Alan_Wood's_Pesticides DPX-H 6573 NIST_Chemistry_WebBook Nustar ChemIDplus bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane Alan_Wood's_Pesticides di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane ChEBI flusilazol ChemIDplus An N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya. 0 C15H10ClF3N2O6S InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22) BGZZWXTVIYUUEY-UHFFFAOYSA-N 438.765 437.99002 C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)NS(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F AGR:IND43973748 AGR:IND601309730 AGR:IND601311760 AGR:IND601311775 AGR:IND604817646 CAS:72178-02-0 KEGG:C18736 PMID:19846192 PMID:21692513 PMID:22585392 PMID:22757645 PMID:24362514 PMID:24731936 PMID:25703508 PMID:26817647 PMID:27268304 PMID:28370968 PMID:28571854 PPDB:355 Pesticides:fomesafen Reaxys:8165046 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide chebi_ontology 5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methanesulfonyl)-2-nitrobenzamide 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitrobenzamide fomesafene CHEBI:81925 fomesafen AGR:IND43973748 Europe PMC AGR:IND601309730 Europe PMC AGR:IND601311760 Europe PMC AGR:IND601311775 Europe PMC AGR:IND604817646 Europe PMC CAS:72178-02-0 Alan Wood's Pesticides CAS:72178-02-0 ChemIDplus CAS:72178-02-0 KEGG COMPOUND PMID:19846192 Europe PMC PMID:21692513 Europe PMC PMID:22585392 Europe PMC PMID:22757645 Europe PMC PMID:24362514 Europe PMC PMID:24731936 Europe PMC PMID:25703508 Europe PMC PMID:26817647 Europe PMC PMID:27268304 Europe PMC PMID:28370968 Europe PMC PMID:28571854 Europe PMC Pesticides:fomesafen Alan Wood's Pesticides Reaxys:8165046 Reaxys 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide IUPAC 5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide Alan_Wood's_Pesticides 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methanesulfonyl)-2-nitrobenzamide Alan_Wood's_Pesticides 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitrobenzamide ChEBI fomesafene ChEBI A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches. 0 C14H14Cl2N2O 297.18000 296.04832 CAS:35554-44-0 HMDB:HMDB0031794 KEGG:C18739 KEGG:D03997 PMID:23813824 PMID:23952944 PMID:24039133 PMID:24123539 PMID:24334985 Pesticides:imazalil Reaxys:545683 Wikipedia:Enilconazole rac-1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole chebi_ontology (+-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole (+-)-enilconazole (RS)-enilconazole 1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether Chloramizol Imazalil R 23,979 R 23979 chloramizole enilconazol enilconazole enilconazolum rac-enilconazole racemic enilconazole CHEBI:81927 enilconazole CAS:35554-44-0 ChemIDplus CAS:35554-44-0 KEGG COMPOUND CAS:35554-44-0 NIST Chemistry WebBook PMID:23813824 Europe PMC PMID:23952944 Europe PMC PMID:24039133 Europe PMC PMID:24123539 Europe PMC PMID:24334985 Europe PMC Pesticides:imazalil Alan Wood's Pesticides Reaxys:545683 Reaxys rac-1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole IUPAC (+-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole HMDB (+-)-enilconazole ChEBI (RS)-enilconazole ChEBI 1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole HMDB Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether HMDB Chloramizol NIST_Chemistry_WebBook Imazalil KEGG_COMPOUND R 23,979 ChemIDplus R 23979 ChemIDplus chloramizole ChEBI enilconazol WHO_MedNet enilconazole KEGG_DRUG enilconazole WHO_MedNet enilconazolum WHO_MedNet rac-enilconazole ChEBI racemic enilconazole ChEBI A dithiocarbamate salt that is the disodium salt of ethylenebis(dithiocarbamic acid). A fungicide, algicide and bactericide used on various crops including on cotton, capsicums, onions and rice crops, it is considered to be a carcinogen, so is not licensed for use within the European Union. Mixing nabam with zinc sulfate affords the fungicide zineb. 0 C4H6N2Na2S4 InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2 UQJQVUOTMVCFHX-UHFFFAOYSA-L 256.34300 255.92092 [Na+].[Na+].[S-]C(=S)NCCNC([S-])=S CAS:142-59-6 HMDB:HMDB0031224 KEGG:C18748 PMID:1161698 PMID:17797593 PMID:18966479 PMID:1904852 PMID:1929852 PMID:23799268 PPDB:479 Patent:US1504404 Patent:US2317765 Pesticides:nabam disodium ethane-1,2-diyldicarbamodithioate chebi_ontology 1,2-ethanediylbiscarbamodithioic acid disodium salt Di-natrium-aethylenbisdithiocarbamat Dinatrium-(N,N'-aethylen-bis(dithiocarbamat)) Dithane A-40 N,N'-ethylene bis(dithiocarbamate de sodium) Parzate Spring-bak disodium N,N'-1,2-ethanediylbis(carbamodithioate) disodium N,N'-ethane-1,2-diyldicarbamodithioate disodium ethylene-1,2-bisdithiocarbamate disodium ethylenebis(dithiocarbamate) nabame sodium ethylenebis(dithiocarbamate) CHEBI:81934 nabam CAS:142-59-6 Alan Wood's Pesticides CAS:142-59-6 ChemIDplus CAS:142-59-6 KEGG COMPOUND PMID:1161698 Europe PMC PMID:17797593 Europe PMC PMID:18966479 Europe PMC PMID:1904852 Europe PMC PMID:1929852 Europe PMC PMID:23799268 Europe PMC Pesticides:nabam Alan Wood's Pesticides disodium ethane-1,2-diyldicarbamodithioate IUPAC 1,2-ethanediylbiscarbamodithioic acid disodium salt ChemIDplus Di-natrium-aethylenbisdithiocarbamat ChemIDplus Dinatrium-(N,N'-aethylen-bis(dithiocarbamat)) ChemIDplus Dithane A-40 ChemIDplus N,N'-ethylene bis(dithiocarbamate de sodium) ChemIDplus Parzate ChemIDplus Spring-bak ChemIDplus disodium N,N'-1,2-ethanediylbis(carbamodithioate) Alan_Wood's_Pesticides disodium N,N'-ethane-1,2-diyldicarbamodithioate Alan_Wood's_Pesticides disodium ethylene-1,2-bisdithiocarbamate ChemIDplus disodium ethylenebis(dithiocarbamate) Alan_Wood's_Pesticides nabame Alan_Wood's_Pesticides sodium ethylenebis(dithiocarbamate) ChemIDplus A chloropyridine that is 2-chloropyridine which is substituted by a trichloromethyl group at position 6. It is a nitrification inhibitor that is co-applied with nitrogen fertilizer in agroecosystems. 0 C6H3Cl4N InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H DCUJJWWUNKIJPH-UHFFFAOYSA-N 230.900 228.90196 C1=C(N=C(C=C1)Cl)C(Cl)(Cl)Cl AGR:IND22022387 AGR:IND23320247 AGR:IND43720278 AGR:IND44319834 AGR:IND601141573 AGR:IND605403670 AGR:IND605964521 AGR:IND79018001 AGR:IND91011794 CAS:1929-82-4 KEGG:C18751 MetaCyc:NITRAPYRIN PMID:14535319 PMID:16346465 PMID:16346799 PMID:18367300 PMID:28481923 PMID:29732772 PMID:30373060 PMID:31589683 PMID:31589718 PMID:31796286 PMID:8941709 PPDB:1200 Pesticides:nitrapyrin Reaxys:1618997 Wikipedia:Nitrapyrin 2-chloro-6-(trichloromethyl)pyridine chebi_ontology Dowco-163 N-Serve N-Serve nitrogen stabilizer alpha,alpha,alpha,6-tetrachloro-2-picoline CHEBI:81935 nitrapyrin AGR:IND22022387 Europe PMC AGR:IND23320247 Europe PMC AGR:IND43720278 Europe PMC AGR:IND44319834 Europe PMC AGR:IND601141573 Europe PMC AGR:IND605403670 Europe PMC AGR:IND605964521 Europe PMC AGR:IND79018001 Europe PMC AGR:IND91011794 Europe PMC CAS:1929-82-4 ChemIDplus CAS:1929-82-4 NIST Chemistry WebBook PMID:14535319 Europe PMC PMID:16346465 Europe PMC PMID:16346799 Europe PMC PMID:18367300 Europe PMC PMID:28481923 Europe PMC PMID:29732772 Europe PMC PMID:30373060 Europe PMC PMID:31589683 Europe PMC PMID:31589718 Europe PMC PMID:31796286 Europe PMC PMID:8941709 Europe PMC Pesticides:nitrapyrin Alan Wood's Pesticides Reaxys:1618997 Reaxys 2-chloro-6-(trichloromethyl)pyridine IUPAC Dowco-163 ChemIDplus N-Serve ChemIDplus N-Serve nitrogen stabilizer ChemIDplus alpha,alpha,alpha,6-tetrachloro-2-picoline MetaCyc A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. 0 C11H19NOS InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3 JPMIIZHYYWMHDT-UHFFFAOYSA-N 213.34000 213.11874 CCCCCCCCn1sccc1=O AGR:IND87046906 CAS:26530-20-1 KEGG:C18752 PMID:20960358 PMID:23182288 PPDB:489 Pesticides:octhilinone Reaxys:1211137 2-octyl-1,2-thiazol-3(2H)-one chebi_ontology 2-Octyl-3(2H)-isothiazolone 2-Octyl-3-isothiazolinone 2-Octyl-3-isothiazolone 2-Octyl-3-isothioazolone 2-Octyl-4-isothiazolin-3-one 2-n-Octyl-4-isothiazolin-3-one 2-octyl-2H-isothiazol-3-one Octyl-3(2H)-isothiazolone Octyl-4-isothiazol-3-one CHEBI:81936 octhilinone AGR:IND87046906 Europe PMC CAS:26530-20-1 ChemIDplus CAS:26530-20-1 KEGG COMPOUND PMID:20960358 Europe PMC PMID:23182288 Europe PMC Pesticides:octhilinone Alan Wood's Pesticides Reaxys:1211137 Reaxys 2-octyl-1,2-thiazol-3(2H)-one IUPAC 2-Octyl-3(2H)-isothiazolone ChemIDplus 2-Octyl-3-isothiazolinone NIST_Chemistry_WebBook 2-Octyl-3-isothiazolone NIST_Chemistry_WebBook 2-Octyl-3-isothioazolone NIST_Chemistry_WebBook 2-Octyl-4-isothiazolin-3-one ChemIDplus 2-n-Octyl-4-isothiazolin-3-one ChemIDplus 2-octyl-2H-isothiazol-3-one NIST_Chemistry_WebBook Octyl-3(2H)-isothiazolone NIST_Chemistry_WebBook Octyl-4-isothiazol-3-one NIST_Chemistry_WebBook A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community. 0 C10H9Cl4NO2S InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2 JHRWWRDRBPCWTF-UHFFFAOYSA-N 349.06100 346.91081 ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O CAS:2425-06-1 HMDB:HMDB0031669 KEGG:C18754 PMID:159800 PMID:1842583 PMID:21822319 PMID:8426061 PPDB:113 Patent:BE633205 Pesticides:captafol Reaxys:1543712 Reaxys:234872 Wikipedia:Captafol 2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chebi_ontology (tetrachloroethylthio)tetrahydrophthalimide 1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione 3a,4,7,7a-tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide Captaspor Difolatan Difosan Folcid Haipen Kenofol Merpafol N-(1,1,2,2-tetrachloroethylthio)-Delta(4)-tetrahydrophthalimide N-1,1,2,2-tetrachloroethylmercapto-4-cyclohexene-1,2-carboximide N-[(1,1,2,2-tetrachloroethyl)sulfenyl]-4-cyclohexene-1,2-dicarboximide Sanspor Terrazol CHEBI:81938 captafol CAS:2425-06-1 ChemIDplus CAS:2425-06-1 KEGG COMPOUND CAS:2425-06-1 NIST Chemistry WebBook PMID:159800 Europe PMC PMID:1842583 Europe PMC PMID:21822319 Europe PMC PMID:8426061 Europe PMC Pesticides:captafol Alan Wood's Pesticides Reaxys:1543712 Reaxys Reaxys:234872 Reaxys 2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione IUPAC (tetrachloroethylthio)tetrahydrophthalimide NIST_Chemistry_WebBook 1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide ChemIDplus 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione ChemIDplus 3a,4,7,7a-tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide ChemIDplus Captaspor ChemIDplus Difolatan ChemIDplus Difosan ChemIDplus Folcid ChemIDplus Haipen ChemIDplus Kenofol ChemIDplus Merpafol ChemIDplus N-(1,1,2,2-tetrachloroethylthio)-Delta(4)-tetrahydrophthalimide NIST_Chemistry_WebBook N-1,1,2,2-tetrachloroethylmercapto-4-cyclohexene-1,2-carboximide ChemIDplus N-[(1,1,2,2-tetrachloroethyl)sulfenyl]-4-cyclohexene-1,2-dicarboximide ChEBI Sanspor ChemIDplus Terrazol ChemIDplus 0 C10H21NOS InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3 SGEJQUSYQTVSIU-UHFFFAOYSA-N 203.34500 203.13439 CCCCN(CC)C(=O)SCCC CAS:1114-71-2 KEGG:C18755 PPDB:508 chebi_ontology CHEBI:81939 Pebulate CAS:1114-71-2 KEGG COMPOUND A monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. 0 C14H21NOS InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N 251.38800 251.13439 CCCN(CCC)C(=O)SCc1ccccc1 CAS:52888-80-9 KEGG:C18760 PMID:23180504 PMID:23423954 PPDB:557 Patent:US2011152098 Patent:WO2011075562 Pesticides:prosulfocarb Reaxys:4804364 S-benzyl dipropylcarbamothioate chebi_ontology CHEBI:81941 prosulfocarb CAS:52888-80-9 ChemIDplus CAS:52888-80-9 KEGG COMPOUND PMID:23180504 Europe PMC PMID:23423954 Europe PMC Pesticides:prosulfocarb Alan Wood's Pesticides Reaxys:4804364 Reaxys S-benzyl dipropylcarbamothioate IUPAC A sulfonamide obtained by the formal condensation of perfluorooctane-1-sulfonic acid with ethylamine. 0 C10H6F17NO2S InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3 CCEKAJIANROZEO-UHFFFAOYSA-N 527.19800 526.98478 CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:4151-50-2 KEGG:C18766 PMID:1495031 PMID:15713031 PMID:1673400 PMID:2324377 PPDB:602 Pesticides:sulfluramid Reaxys:2317462 N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide chebi_ontology N-Ethylperfluorooctylsulfonamide N-ethylperfluorooctane-1-sulfonamide CHEBI:81945 sulfluramid CAS:4151-50-2 ChemIDplus CAS:4151-50-2 KEGG COMPOUND PMID:1495031 Europe PMC PMID:15713031 Europe PMC PMID:1673400 Europe PMC PMID:2324377 Europe PMC Pesticides:sulfluramid Alan Wood's Pesticides Reaxys:2317462 Reaxys N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide IUPAC N-Ethylperfluorooctylsulfonamide ChemIDplus N-ethylperfluorooctane-1-sulfonamide Alan_Wood's_Pesticides A diamino-1,3,5-triazine that is N-tert-butyl-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide. 0 C10H19N5O InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N 225.29080 225.15896 CCNc1nc(NC(C)(C)C)nc(OC)n1 CAS:33693-04-8 KEGG:C18768 PMID:16674993 PMID:24607694 PMID:25365583 PPDB:622 Patent:EA003143 Pesticides:terbumeton Reaxys:520400 N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine chebi_ontology 2-(tert-butylamino)-4-(ethylamino)-6-methoxy-s--triazine N(2)-tert-butyl-N(4)-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine terbuthylon CHEBI:81947 terbumeton CAS:33693-04-8 ChemIDplus CAS:33693-04-8 KEGG COMPOUND CAS:33693-04-8 NIST Chemistry WebBook PMID:16674993 Europe PMC PMID:24607694 Europe PMC PMID:25365583 Europe PMC Pesticides:terbumeton Alan Wood's Pesticides Reaxys:520400 Reaxys N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC 2-(tert-butylamino)-4-(ethylamino)-6-methoxy-s--triazine ChemIDplus N(2)-tert-butyl-N(4)-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine Alan_Wood's_Pesticides N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine ChemIDplus terbuthylon NIST_Chemistry_WebBook 0 H6N2O3S InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3 GEHMBYLTCISYNY-UHFFFAOYSA-N 114.12400 114.00991 [NH4+].NS([O-])(=O)=O CAS:7773-06-0 KEGG:C18773 PPDB:35 chebi_ontology CHEBI:81950 Ammonium sulfamate CAS:7773-06-0 KEGG COMPOUND An N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a (2-carboxyphenyl)sulfonyl group, while the other has been substituted by a 4-chloro-6-methoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding ethyl ester) as a herbicide. 0 C13H11ClN4O6S InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21) RIUXZHMCCFLRBI-UHFFFAOYSA-N 386.769 386.00878 C1=C(N=C(N=C1OC)NC(NS(C2=C(C=CC=C2)C(O)=O)(=O)=O)=O)Cl CAS:99283-00-8 KEGG:C18777 PPDB:3031 Pesticides:chlorimuron Reaxys:7779120 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid chebi_ontology 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoic acid 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid CHEBI:81953 chlorimuron CAS:99283-00-8 Alan Wood's Pesticides CAS:99283-00-8 ChemIDplus CAS:99283-00-8 KEGG COMPOUND Pesticides:chlorimuron Alan Wood's Pesticides Reaxys:7779120 Reaxys 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid IUPAC 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoic acid Alan_Wood's_Pesticides 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid Alan_Wood's_Pesticides 0 C11H21NOS InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 DFCAFRGABIXSDS-UHFFFAOYSA-N 215.35600 215.13439 CCSC(=O)N(CC)C1CCCCC1 CAS:1134-23-2 KEGG:C18780 PPDB:188 chebi_ontology CHEBI:81955 Cycloate CAS:1134-23-2 KEGG COMPOUND 0 C10H16Cl3NOS InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3 MWBPRDONLNQCFV-UHFFFAOYSA-N 304.66400 303.00182 CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl CAS:2303-17-5 KEGG:C18813 LINCS:LSM-25662 PPDB:650 chebi_ontology Triallate CHEBI:81978 Tri-allate CAS:2303-17-5 KEGG COMPOUND Triallate KEGG_COMPOUND A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a 3-chloro-4-methylphenyl group. A herbicide that is non-toxic to honeybees but moderately toxic to mammals, birds, earthworms and most aquatic organisms. 0 C10H13ClN2O InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14) JXCGFZXSOMJFOA-UHFFFAOYSA-N 212.67600 212.07164 CN(C)C(=O)Nc1ccc(C)c(Cl)c1 CHEBI:83570 CAS:15545-48-9 KEGG:C18817 PMID:22927226 PMID:23819841 PMID:24485315 PPDB:151 Pesticides:chlorotoluron Reaxys:2647688 Wikipedia:Chlortoluron 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea chlorotoluron chebi_ontology 3-(3-chloro-p-tolyl)-1,1-dimethylurea N'-(3-chloro-4-methylphenyl)-N,N-dimethylurea chlortoluron CHEBI:81981 chlorotoluron CAS:15545-48-9 ChemIDplus CAS:15545-48-9 KEGG COMPOUND CAS:15545-48-9 NIST Chemistry WebBook PMID:22927226 Europe PMC PMID:23819841 Europe PMC PMID:24485315 Europe PMC Pesticides:chlorotoluron Alan Wood's Pesticides Reaxys:2647688 Reaxys 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea IUPAC chlorotoluron UniProt 3-(3-chloro-p-tolyl)-1,1-dimethylurea NIST_Chemistry_WebBook N'-(3-chloro-4-methylphenyl)-N,N-dimethylurea Alan_Wood's_Pesticides chlortoluron NIST_Chemistry_WebBook A racemate comprising of equimolar amounts of (S)- and (R)-ethofumesate. CAS:26225-79-6 KEGG:C18829 PMID:11409984 PMID:16660411 PMID:25048902 Patent:US2011245081 Patent:US7915199 Pesticides:ethofumesate Reaxys:5759730 rac-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate chebi_ontology (+-)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate (RS)-2-ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulfonate CHEBI:81990 ethofumesate CAS:26225-79-6 ChemIDplus CAS:26225-79-6 KEGG COMPOUND CAS:26225-79-6 NIST Chemistry WebBook PMID:11409984 Europe PMC PMID:16660411 Europe PMC PMID:25048902 Europe PMC Pesticides:ethofumesate Alan Wood's Pesticides Reaxys:5759730 Reaxys rac-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate IUPAC (+-)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate NIST_Chemistry_WebBook (RS)-2-ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulfonate Alan_Wood's_Pesticides A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a 3-(trifluoromethyl)phenyl group while the other is substituted by two methyl groups. It is a herbicide used for the control of broadleaf weeds and annual grasses in cotton. 0 C10H11F3N2O InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16) RZILCCPWPBTYDO-UHFFFAOYSA-N 232.206 232.08235 CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F AGR:IND21963329 AGR:IND23242470 AGR:IND23259860 AGR:IND23265146 AGR:IND23309858 AGR:IND23328937 AGR:IND43726769 AGR:IND43952632 AGR:IND43960254 AGR:IND44774971 AGR:IND601309267 AGR:IND601309285 AGR:IND601311640 CAS:2164-17-2 Chemspider:15702 KEGG:C18853 MetaCyc:CPD-23257 PMID:1384777 PMID:15488576 PMID:15537934 PMID:17165123 PMID:17263484 PMID:17604822 PMID:17760353 PMID:18729373 PMID:19356113 PMID:20545302 PMID:22023336 PMID:32626105 PMID:7571346 PPDB:336 Pesticides:fluometuron Reaxys:2217354 Wikipedia:Fluometuron 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea fluometuron chebi_ontology 1,1-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea C 2059 Ciba 2059 Cotogard Cotoran Cottonex Higalcoton Lanex N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]urea N-(m-trifluoromethylphenyl)-N',N'-dimethylurea N-(meta-trifluoromethylphenyl)-N,N'-dimethylurea Pakhtaran herbicide C-2059 CHEBI:82012 fluometuron AGR:IND21963329 Europe PMC AGR:IND23242470 Europe PMC AGR:IND23259860 Europe PMC AGR:IND23265146 Europe PMC AGR:IND23309858 Europe PMC AGR:IND23328937 Europe PMC AGR:IND43726769 Europe PMC AGR:IND43952632 Europe PMC AGR:IND43960254 Europe PMC AGR:IND44774971 Europe PMC AGR:IND601309267 Europe PMC AGR:IND601309285 Europe PMC AGR:IND601311640 Europe PMC CAS:2164-17-2 ChemIDplus CAS:2164-17-2 NIST Chemistry WebBook PMID:1384777 Europe PMC PMID:15488576 Europe PMC PMID:15537934 Europe PMC PMID:17165123 Europe PMC PMID:17263484 Europe PMC PMID:17604822 Europe PMC PMID:17760353 Europe PMC PMID:18729373 Europe PMC PMID:19356113 Europe PMC PMID:20545302 Europe PMC PMID:22023336 Europe PMC PMID:32626105 Europe PMC PMID:7571346 Europe PMC Pesticides:fluometuron Alan Wood's Pesticides Reaxys:2217354 Reaxys 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea IUPAC fluometuron UniProt 1,1-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea Alan_Wood's_Pesticides C 2059 ChemIDplus Ciba 2059 ChemIDplus Cotogard ChemIDplus Cotoran ChemIDplus Cottonex ChemIDplus Higalcoton ChemIDplus Lanex ChemIDplus N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]urea IUPAC N-(m-trifluoromethylphenyl)-N',N'-dimethylurea ChemIDplus N-(meta-trifluoromethylphenyl)-N,N'-dimethylurea ChemIDplus Pakhtaran ChemIDplus herbicide C-2059 ChemIDplus An aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2. 0 C7H5Cl2FN2O3 InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) MEFQWPUMEMWTJP-UHFFFAOYSA-N 255.03100 253.96613 Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl CAS:69377-81-7 KEGG:C18858 PMID:23128745 PMID:24719846 PMID:25205153 PPDB:347 Pesticides:fluroxypyr Reaxys:7136185 Wikipedia:Fluroxypyr [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid chebi_ontology CHEBI:82017 fluroxypyr CAS:69377-81-7 ChemIDplus CAS:69377-81-7 KEGG COMPOUND CAS:69377-81-7 NIST Chemistry WebBook PMID:23128745 Europe PMC PMID:24719846 Europe PMC PMID:25205153 Europe PMC Pesticides:fluroxypyr Alan Wood's Pesticides Reaxys:7136185 Reaxys [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid IUPAC A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s. 0 C9H4Cl3NO2S InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H HKIOYBQGHSTUDB-UHFFFAOYSA-N 296.55800 294.90283 ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O CAS:133-07-3 HMDB:HMDB0031792 KEGG:C18860 PMID:10725173 PMID:12909534 PMID:20569196 PMID:21381057 PMID:21381058 PMID:22180346 PMID:3771451 PPDB:354 Patent:US2553770 Pesticides:folpet Reaxys:193373 2-[(trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dione chebi_ontology Acryptan Cosan I Faltan Faltex N-(Trichlor-methylthio)-phthalamid N-(trichloromethanesulfenyl)phthalimide N-(trichloromethanesulphenyl)phthalimide N-(trichloromethylthio)phthalimide Orthophaltan Phthaltan folpel trichloromethylthiophthalimide CHEBI:82019 folpet CAS:133-07-3 ChemIDplus CAS:133-07-3 KEGG COMPOUND CAS:133-07-3 NIST Chemistry WebBook PMID:10725173 Europe PMC PMID:12909534 Europe PMC PMID:20569196 Europe PMC PMID:21381057 Europe PMC PMID:21381058 Europe PMC PMID:22180346 Europe PMC PMID:3771451 Europe PMC Pesticides:folpet Alan Wood's Pesticides Reaxys:193373 Reaxys 2-[(trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dione IUPAC Acryptan ChemIDplus Cosan I ChemIDplus Faltan ChemIDplus Faltex ChemIDplus N-(Trichlor-methylthio)-phthalamid ChemIDplus N-(trichloromethanesulfenyl)phthalimide ChEBI N-(trichloromethanesulphenyl)phthalimide ChemIDplus N-(trichloromethylthio)phthalimide ChemIDplus Orthophaltan ChemIDplus Phthaltan ChemIDplus folpel ChemIDplus trichloromethylthiophthalimide ChemIDplus A diastereoisomeric mixture comprising equimolar amounts of L-(R)- and L-(S)-iprovalicarb. It is a systemic fungicide, specific to oomycetes, used on potatoes and grape vines. 0 C18H28N2O3 InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1 NWUWYYSKZYIQAE-WMCAAGNKSA-N 320.42650 320.20999 CC(C)OC(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccc(C)cc1 CAS:140923-17-7 KEGG:C18866 PMID:15084099 PMID:15506800 PMID:19330276 PMID:20932164 PMID:21591740 PPDB:404 Pesticides:iprovalicarb Reaxys:11327120 chebi_ontology 1-methylethyl N-[(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]carbamate isopropyl [(1S)-2-methyl-1-{[(1RS)-1-p-tolylethyl]carbamoyl}propyl]carbamate CHEBI:82023 iprovalicarb CAS:140923-17-7 KEGG COMPOUND PMID:15084099 Europe PMC PMID:15506800 Europe PMC PMID:19330276 Europe PMC PMID:20932164 Europe PMC PMID:21591740 Europe PMC Pesticides:iprovalicarb Alan Wood's Pesticides Reaxys:11327120 Reaxys 1-methylethyl N-[(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]carbamate Alan_Wood's_Pesticides isopropyl [(1S)-2-methyl-1-{[(1RS)-1-p-tolylethyl]carbamoyl}propyl]carbamate Alan_Wood's_Pesticides A racemate composed of equimolar amounts of (S)- and (R)-napropamide. CAS:15299-99-7 KEGG:C18868 PMID:20143852 PMID:22251214 PMID:23784054 PMID:24436218 Pesticides:napropamide Reaxys:2217870 rac-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide chebi_ontology (RS)-N,N-diethyl-2-(1-naphthyloxy)propionamide 2-(alpha-naphthoxy)-N,N-Diethylpropionamide CHEBI:82025 napropamide CAS:15299-99-7 ChemIDplus CAS:15299-99-7 KEGG COMPOUND CAS:15299-99-7 NIST Chemistry WebBook PMID:20143852 Europe PMC PMID:22251214 Europe PMC PMID:23784054 Europe PMC PMID:24436218 Europe PMC Pesticides:napropamide Alan Wood's Pesticides Reaxys:2217870 Reaxys rac-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide IUPAC (RS)-N,N-diethyl-2-(1-naphthyloxy)propionamide Alan_Wood's_Pesticides 2-(alpha-naphthoxy)-N,N-Diethylpropionamide NIST_Chemistry_WebBook 0 C15H11ClF3NO4 InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3 OQMBBFQZGJFLBU-UHFFFAOYSA-N 361.70000 361.03287 CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O CAS:42874-03-3 KEGG:C18881 PPDB:502 chebi_ontology CHEBI:82029 Oxyfluorfen CAS:42874-03-3 KEGG COMPOUND A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species. 0 C9H20N2O2 InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12) WZZLDXDUQPOXNW-UHFFFAOYSA-N 188.26730 188.15248 CCCOC(=O)NCCCN(C)C CAS:24579-73-5 KEGG:C18885 PMID:14985943 PMID:15204535 PMID:22699710 PMID:24791956 PPDB:1546 Patent:BE708057 Patent:EP1254894 Patent:US3649674 Pesticides:propamocarb Reaxys:2080745 Wikipedia:Propamocarb propyl [3-(dimethylamino)propyl]carbamate chebi_ontology Propyl (3-(dimethylamino)propyl)carbamate propamocarbe propyl 3-(dimethylamino)propylcarbamate propyl N-[3-(dimethylamino)propyl]carbamate CHEBI:82033 propamocarb CAS:24579-73-5 ChemIDplus CAS:24579-73-5 KEGG COMPOUND CAS:24579-73-5 NIST Chemistry WebBook PMID:14985943 Europe PMC PMID:15204535 Europe PMC PMID:22699710 Europe PMC PMID:24791956 Europe PMC Pesticides:propamocarb Alan Wood's Pesticides Reaxys:2080745 Reaxys propyl [3-(dimethylamino)propyl]carbamate IUPAC Propyl (3-(dimethylamino)propyl)carbamate ChemIDplus propamocarbe ChemIDplus propyl 3-(dimethylamino)propylcarbamate Alan_Wood's_Pesticides propyl N-[3-(dimethylamino)propyl]carbamate Alan_Wood's_Pesticides A quinoxaline derivative used as systemic herbicide for annual and perennial grasses. 0 C22H22ClN3O5 InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1 FROBCXTULYFHEJ-OAHLLOKOSA-N 443.88000 443.12480 C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C AGR:IND44386841 AGR:IND93000118 CAS:111479-05-1 KEGG:C18886 PMID:15149135 PPDB:546 Patent:EP2243362 Patent:EP2243363 Patent:WO2010017929 Pesticides:propaquizafop Reaxys:9805275 2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate chebi_ontology 2-[[(1-methylethylidene)amino]oxy]ethyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate 2-isopropylideneaminooxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate CHEBI:82034 propaquizafop AGR:IND44386841 Europe PMC AGR:IND93000118 Europe PMC CAS:111479-05-1 ChemIDplus CAS:111479-05-1 KEGG COMPOUND PMID:15149135 Europe PMC Pesticides:propaquizafop Alan Wood's Pesticides Reaxys:9805275 Reaxys 2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate IUPAC 2-[[(1-methylethylidene)amino]oxy]ethyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate Alan_Wood's_Pesticides 2-isopropylideneaminooxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate Alan_Wood's_Pesticides A monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide. 0 C15H23NO InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 RJKCKKDSSSRYCB-UHFFFAOYSA-N 233.34920 233.17796 CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C AGR:IND86014658 CAS:35256-85-0 KEGG:C18896 PPDB:613 Patent:EP0110660 Patent:US4456472 Pesticides:tebutam N-benzyl-2,2-dimethyl-N-(propan-2-yl)propanamide chebi_ontology Butam N-Benzyl-N-isopropyltrimethylacetamide N-benzyl-N-isopropylpivalamide CHEBI:82043 tebutam AGR:IND86014658 Europe PMC CAS:35256-85-0 ChemIDplus CAS:35256-85-0 KEGG COMPOUND CAS:35256-85-0 NIST Chemistry WebBook Pesticides:tebutam Alan Wood's Pesticides N-benzyl-2,2-dimethyl-N-(propan-2-yl)propanamide IUPAC Butam KEGG_COMPOUND N-Benzyl-N-isopropyltrimethylacetamide ChemIDplus N-benzyl-N-isopropylpivalamide Alan_Wood's_Pesticides A member of the class of triazenes that is dichlorotriazene in which the hydrogen is replaced by an o-chloroanilino group. A fungicide formerly used to control leaf spots and downy mildew, it is no longer approved for use within the European Union. 0 C9H5Cl3N4 InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16) IMHBYKMAHXWHRP-UHFFFAOYSA-N 275.52200 273.95798 Clc1ccccc1Nc1nc(Cl)nc(Cl)n1 AGR:IND91056136 CAS:101-05-3 KEGG:C18935 PMID:4682330 PMID:6108427 PMID:9066850 PPDB:39 Patent:US2720480 Patent:US2820032 Patent:US3074946 Pesticides:anilazine Reaxys:223133 Wikipedia:Anilazine 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine chebi_ontology (o-chloroanilino)dichlorotriazine 2,4-dichloro-6-(2-chloroanilino)-1,3,5-triazine 2,4-dichloro-6-(o-chloroanilino)-s-triazine 2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin 2-chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline Aniyaline Dairene Dyrene Kemate Triasym Triasyn Zinochlor anilazin CHEBI:82076 anilazine AGR:IND91056136 Europe PMC CAS:101-05-3 ChemIDplus CAS:101-05-3 KEGG COMPOUND CAS:101-05-3 NIST Chemistry WebBook PMID:4682330 Europe PMC PMID:6108427 Europe PMC PMID:9066850 Europe PMC Pesticides:anilazine Alan Wood's Pesticides Reaxys:223133 Reaxys 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine IUPAC (o-chloroanilino)dichlorotriazine ChemIDplus 2,4-dichloro-6-(2-chloroanilino)-1,3,5-triazine ChemIDplus 2,4-dichloro-6-(o-chloroanilino)-s-triazine ChemIDplus 2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin ChemIDplus 2-chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline ChemIDplus Aniyaline NIST_Chemistry_WebBook Dairene NIST_Chemistry_WebBook Dyrene ChemIDplus Kemate ChemIDplus Triasym NIST_Chemistry_WebBook Triasyn NIST_Chemistry_WebBook Zinochlor ChemIDplus anilazin ChemIDplus 0 C12H8Cl6 InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6-,7+,10+,11+/m1/s1 QBYJBZPUGVGKQQ-KCHUEWMZSA-N 364.91000 361.87572 ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl CAS:465-73-6 KEGG:C18961 chebi_ontology CHEBI:82100 Isodrin CAS:465-73-6 KEGG COMPOUND 0 C12H19ClNO3P InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15) BOFHKBLZOYVHSI-UHFFFAOYSA-N 291.71100 291.07911 CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C CAS:299-86-5 KEGG:C18972 KEGG:D03610 VSDB:1276 chebi_ontology CHEBI:82111 Crufomate CAS:299-86-5 KEGG COMPOUND 0 C8H8Cl3O3PS InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3 JHJOOSLFWRRSGU-UHFFFAOYSA-N 321.54500 319.89974 COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl CAS:299-84-3 KEGG:C18986 KEGG:D05753 PPDB:1228 VSDB:1228 chebi_ontology Fenclofos Ronnel CHEBI:82125 Fenchlorphos CAS:299-84-3 KEGG COMPOUND Fenclofos KEGG_COMPOUND Ronnel KEGG_COMPOUND 0 C8H20O7P2 InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3 IDCBOTIENDVCBQ-UHFFFAOYSA-N 290.18770 290.06843 CCOP(=O)(OCC)OP(=O)(OCC)OCC CAS:107-49-3 KEGG:C19017 PPDB:1272 chebi_ontology Tetraethyl pyrophosphate CHEBI:82149 TEPP CAS:107-49-3 KEGG COMPOUND Tetraethyl pyrophosphate KEGG_COMPOUND A racemate comprising equimolar amounts of (R)- and (S)-1,2-dichloropropane. It is used as a fumigant to control nematodes in soil and insects in stored grain. CAS:78-87-5 KEGG:C19034 PMID:21070183 PMID:28527381 PMID:29863124 PMID:29973469 PMID:30240022 PPDB:1191 Pesticides:1,2-dichloropropane Reaxys:1718880 rac-1,2-dichloropropane chebi_ontology (+-)-1,2-dichloropropane (2RS)-1,2-dichloropropane rac-(2R)-1,2-dichloropropane rac-1,2-DCP rac-CH3CHClCH2Cl rac-alpha,beta-dichloropropane rac-alpha,beta-propylene dichloride rac-dichloro-1,2 propane rac-propylene dichloride CHEBI:82163 rac-1,2-dichloropropane CAS:78-87-5 ChemIDplus CAS:78-87-5 KEGG COMPOUND CAS:78-87-5 NIST Chemistry WebBook PMID:21070183 Europe PMC PMID:28527381 Europe PMC PMID:29863124 Europe PMC PMID:29973469 Europe PMC PMID:30240022 Europe PMC Pesticides:1,2-dichloropropane Alan Wood's Pesticides Reaxys:1718880 Reaxys rac-1,2-dichloropropane IUPAC (+-)-1,2-dichloropropane ChEBI (2RS)-1,2-dichloropropane Alan_Wood's_Pesticides rac-(2R)-1,2-dichloropropane Alan_Wood's_Pesticides rac-1,2-DCP ChEBI rac-CH3CHClCH2Cl ChEBI rac-alpha,beta-dichloropropane ChEBI rac-alpha,beta-propylene dichloride ChEBI rac-dichloro-1,2 propane ChEBI rac-propylene dichloride ChEBI 0 C7H5Cl2NO2 InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12) HSSBORCLYSCBJR-UHFFFAOYSA-N 206.02600 204.96973 Nc1cc(Cl)cc(C(O)=O)c1Cl CAS:133-90-4 KEGG:C19056 chebi_ontology CHEBI:82183 Chloramben CAS:133-90-4 KEGG COMPOUND A diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide. 0 C9H17N5O InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) PXWUKZGIHQRDHL-UHFFFAOYSA-N 211.26420 211.14331 CCNc1nc(NC(C)C)nc(OC)n1 CAS:1610-17-9 KEGG:C19098 PMID:21254126 PMID:25301341 PPDB:1692 Patent:WO2008062557 Pesticides:atraton Reaxys:613098 N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine chebi_ontology 2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine 2-Methoxy-4-isopropylamino-6-ethylamino-s-triazine CHEBI:82220 atraton CAS:1610-17-9 ChemIDplus CAS:1610-17-9 KEGG COMPOUND CAS:1610-17-9 NIST Chemistry WebBook PMID:21254126 Europe PMC PMID:25301341 Europe PMC Pesticides:atraton Alan Wood's Pesticides Reaxys:613098 Reaxys N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC 2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine ChemIDplus 2-Methoxy-4-isopropylamino-6-ethylamino-s-triazine ChemIDplus A racemate composed of equimolar amounts of (R)- and (S)-secbumeton. It is an agrochemical used as a herbicide. AGR:IND44654545 CAS:26259-45-0 KEGG:C19106 PMID:16916034 PMID:24607694 PMID:24720960 Patent:CA2518621 Patent:KR20050115906 Patent:US2006154823 Patent:US2014309111 Pesticides:secbumeton Reaxys:8981797 rac-N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine chebi_ontology (RS)-N(2)-sec-butyl-N(4)-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine 2-(sec-butylamino)-4-(ethylamino)-6-methoxy-s-triazine N-ethyl-6-methoxy-N'-(1-methylpropyl)-1,3,5-triazine-2,4-diamine sec-bumetone secumbeton CHEBI:82228 secbumeton AGR:IND44654545 Europe PMC CAS:26259-45-0 ChemIDplus CAS:26259-45-0 KEGG COMPOUND CAS:26259-45-0 NIST Chemistry WebBook PMID:16916034 Europe PMC PMID:24607694 Europe PMC PMID:24720960 Europe PMC Pesticides:secbumeton Alan Wood's Pesticides Reaxys:8981797 Reaxys rac-N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC (RS)-N(2)-sec-butyl-N(4)-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine Alan_Wood's_Pesticides 2-(sec-butylamino)-4-(ethylamino)-6-methoxy-s-triazine NIST_Chemistry_WebBook N-ethyl-6-methoxy-N'-(1-methylpropyl)-1,3,5-triazine-2,4-diamine Alan_Wood's_Pesticides sec-bumetone ChemIDplus secumbeton ChemIDplus 0 C9H6Cl2N2O3 InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3 LRUUNMYPIBZBQH-UHFFFAOYSA-N 261.06200 259.97555 Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O CAS:20354-26-1 KEGG:C19123 PPDB:454 chebi_ontology CHEBI:82244 Methazole CAS:20354-26-1 KEGG COMPOUND 0 C11H10N2S InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14) PIVQQUNOTICCSA-UHFFFAOYSA-N 202.27600 202.05647 NC(=S)Nc1cccc2ccccc12 CAS:86-88-4 KEGG:C19136 PPDB:1269 PPDB:2638 chebi_ontology alpha-Naphthylthiourea CHEBI:82256 ANTU CAS:86-88-4 KEGG COMPOUND alpha-Naphthylthiourea KEGG_COMPOUND 0 C14H14O3 InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3 RZKYEQDPDZUERB-UHFFFAOYSA-N 230.25920 230.09429 CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O CAS:83-26-1 KEGG:C19141 PPDB:2842 chebi_ontology CHEBI:82261 Pindone CAS:83-26-1 KEGG COMPOUND An ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine. 0 C2H4Cl2O InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2 HRQGCQVOJVTVLU-UHFFFAOYSA-N 114.959 113.96392 ClCOCCl CAS:542-88-1 KEGG:C19158 PMID:1115531 PMID:15320321 PMID:21089828 PMID:21850114 PMID:2526731 PMID:5558146 PMID:722181 PMID:7298204 PMID:9489299 Wikipedia:Bis(chloromethyl)_ether bis(chloromethyl) ether chebi_ontology BCME alpha,alpha'-dichlorodimethyl ether chloro(chloromethoxy)methane dichloromethyl ether, symmetrical oxybis(chloromethane) sym-dichloro-dimethyl ether sym-dichloromethyl ether CHEBI:82270 bis(chloromethyl) ether CAS:542-88-1 ChemIDplus CAS:542-88-1 KEGG COMPOUND CAS:542-88-1 NIST Chemistry WebBook PMID:1115531 Europe PMC PMID:15320321 Europe PMC PMID:21089828 Europe PMC PMID:21850114 Europe PMC PMID:2526731 Europe PMC PMID:5558146 Europe PMC PMID:722181 Europe PMC PMID:7298204 Europe PMC PMID:9489299 Europe PMC bis(chloromethyl) ether IUPAC BCME KEGG_COMPOUND alpha,alpha'-dichlorodimethyl ether ChemIDplus chloro(chloromethoxy)methane ChemIDplus dichloromethyl ether, symmetrical ChemIDplus oxybis(chloromethane) ChemIDplus sym-dichloro-dimethyl ether NIST_Chemistry_WebBook sym-dichloromethyl ether ChemIDplus sym-dichloromethyl ether NIST_Chemistry_WebBook 0 C2H5ClO InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3 XJUZRXYOEPSWMB-UHFFFAOYSA-N 80.51400 80.00289 COCCl CAS:107-30-2 HMDB:HMDB0031332 KEGG:C19160 chebi_ontology CHEBI:82271 Chloromethyl methyl ether CAS:107-30-2 KEGG COMPOUND 0 C7H6Cl2 InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H CAHQGWAXKLQREW-UHFFFAOYSA-N 161.02900 159.98466 ClC(Cl)c1ccccc1 CAS:98-87-3 KEGG:C19165 chebi_ontology CHEBI:82273 Benzal chloride CAS:98-87-3 KEGG COMPOUND An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry. 0 C7H5Cl3 InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H XEMRAKSQROQPBR-UHFFFAOYSA-N 195.474 193.94568 C1=CC=CC(=C1)C(Cl)(Cl)Cl CAS:98-07-7 KEGG:C19166 PMID:106269 PMID:15318374 PMID:21089811 PMID:21850111 PMID:3791187 PMID:6751993 PMID:8262817 Patent:US1828858 Wikipedia:Benzotrichloride (trichloromethyl)benzene chebi_ontology 1-(trichloromethyl)benzene alpha,alpha,alpha-trichlorotoluene benzotrichloride phenylchloroform CHEBI:82274 (trichloromethyl)benzene CAS:98-07-7 ChemIDplus CAS:98-07-7 KEGG COMPOUND CAS:98-07-7 NIST Chemistry WebBook PMID:106269 Europe PMC PMID:15318374 Europe PMC PMID:21089811 Europe PMC PMID:21850111 Europe PMC PMID:3791187 Europe PMC PMID:6751993 Europe PMC PMID:8262817 Europe PMC (trichloromethyl)benzene IUPAC 1-(trichloromethyl)benzene ChemIDplus alpha,alpha,alpha-trichlorotoluene ChemIDplus benzotrichloride ChemIDplus phenylchloroform ChemIDplus An acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals. 0 C7H5ClO InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H PASDCCFISLVPSO-UHFFFAOYSA-N 140.570 140.00289 ClC(=O)C1=CC=CC=C1 CAS:98-88-4 KEGG:C19168 PMID:10476457 PMID:1069541 PMID:12371201 PMID:14833424 PMID:19697904 PMID:24471690 PMID:30372914 PMID:3820773 PMID:533824 PMID:6957389 PMID:7327367 Reaxys:471389 Wikipedia:Benzoyl_chloride benzoyl chloride chebi_ontology alpha-chlorobenzaldehyde benzenecarbonyl chloride benzoic acid chloride CHEBI:82275 benzoyl chloride CAS:98-88-4 ChemIDplus CAS:98-88-4 NIST Chemistry WebBook PMID:10476457 Europe PMC PMID:1069541 Europe PMC PMID:12371201 Europe PMC PMID:14833424 Europe PMC PMID:19697904 Europe PMC PMID:24471690 Europe PMC PMID:30372914 Europe PMC PMID:3820773 Europe PMC PMID:533824 Europe PMC PMID:6957389 Europe PMC PMID:7327367 Europe PMC Reaxys:471389 Reaxys benzoyl chloride IUPAC alpha-chlorobenzaldehyde ChemIDplus benzenecarbonyl chloride ChemIDplus benzoic acid chloride ChemIDplus 0 C3H6ClNO InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3 YIIMEMSDCNDGTB-UHFFFAOYSA-N 107.53900 107.01379 CN(C)C(Cl)=O CAS:79-44-7 KEGG:C19175 chebi_ontology CHEBI:82280 Dimethylcarbamoyl chloride CAS:79-44-7 KEGG COMPOUND 0 C9H15Br6O4P InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2 PQYJRMFWJJONBO-UHFFFAOYSA-N 697.61100 691.58082 BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr CAS:126-72-7 KEGG:C19182 chebi_ontology CHEBI:82282 Tris(2,3-dibromopropyl) phosphate CAS:126-72-7 KEGG COMPOUND 0 C14H15N3 InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+ PFRYFZZSECNQOL-WUKNDPDISA-N 225.28900 225.12660 Cc1ccccc1\N=N\c1ccc(N)c(C)c1 CAS:97-56-3 KEGG:C19188 chebi_ontology C.I. Solvent Yellow 3 CHEBI:82285 ortho-Aminoazotoluene CAS:97-56-3 KEGG COMPOUND C.I. Solvent Yellow 3 KEGG_COMPOUND A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes. 0 C7H9NO InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 VMPITZXILSNTON-UHFFFAOYSA-N 123.155 123.06841 C1=CC=CC(=C1N)OC Beilstein:386210 CAS:90-04-0 KEGG:C19191 PMID:21187827 PMID:22403159 PMID:28089782 Wikipedia:O-Anisidine o-anisidine chebi_ontology 1-amino-2-methoxybenzene 2-aminoanisole 2-anisidine 2-methoxy-1-aminobenzene 2-methoxyaniline 2-methoxybenzenamine o-aminoanisole o-anisylamine o-methoxyaniline o-methoxyphenylamine ortho-aminoanisole ortho-anisidine CHEBI:82288 o-anisidine Beilstein:386210 Beilstein CAS:90-04-0 ChemIDplus CAS:90-04-0 KEGG COMPOUND CAS:90-04-0 NIST Chemistry WebBook PMID:21187827 Europe PMC PMID:22403159 Europe PMC PMID:28089782 Europe PMC o-anisidine KEGG_COMPOUND 1-amino-2-methoxybenzene ChemIDplus 2-aminoanisole ChemIDplus 2-anisidine ChemIDplus 2-methoxy-1-aminobenzene ChemIDplus 2-methoxyaniline UniProt 2-methoxybenzenamine ChemIDplus o-aminoanisole NIST_Chemistry_WebBook o-anisylamine NIST_Chemistry_WebBook o-methoxyaniline ChemIDplus o-methoxyphenylamine ChemIDplus ortho-aminoanisole ChemIDplus ortho-anisidine ChemIDplus An elemental carbon in the form of virtually pure colloidal particles that are produced by incomplete combustion or thermal decomposition of gaseous or liquid hydrocarbons under controlled conditions. A black, finely divided pellet or powder, its properties of specific surface area, particle size and structure, conductivity and colour can be varied by varying the exact conditions for its production. It is used in tyres, rubber and plastic products, printing inks and coatings. CAS:1333-86-4 KEGG:C19202 PMID:24291665 PMID:24669321 PMID:25071917 PMID:26803751 Wikipedia:Carbon_black chebi_ontology CHEBI:82297 carbon black CAS:1333-86-4 ChemIDplus CAS:1333-86-4 KEGG COMPOUND PMID:24291665 Europe PMC PMID:24669321 Europe PMC PMID:25071917 Europe PMC PMID:26803751 Europe PMC 0 C14H7Br2NO2 InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2 ZINRVIQBCHAZMM-UHFFFAOYSA-N 381.01900 378.88435 Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12 CAS:81-49-2 KEGG:C19211 chebi_ontology CHEBI:82304 1-Amino-2,4-dibromoanthraquinone CAS:81-49-2 KEGG COMPOUND 0 C8H11NO InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3 WXWCDTXEKCVRRO-UHFFFAOYSA-N 137.17900 137.08406 COc1ccc(C)cc1N CAS:120-71-8 KEGG:C19216 PDBeChem:ZZT chebi_ontology p-Cresidine CHEBI:82307 para-Cresidine CAS:120-71-8 KEGG COMPOUND p-Cresidine KEGG_COMPOUND 0 C7H10N2O InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3 BAHPQISAXRFLCL-UHFFFAOYSA-N 138.16710 138.07931 COc1ccc(N)cc1N CAS:615-05-4 KEGG:C19218 chebi_ontology CHEBI:82309 2,4-Diaminoanisole CAS:615-05-4 KEGG COMPOUND 0 C12H10Cl2N2 InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2 HUWXDEQWWKGHRV-UHFFFAOYSA-N 253.12700 252.02210 Nc1ccc(cc1Cl)-c1ccc(N)c(Cl)c1 CAS:91-94-1 KEGG:C19225 chebi_ontology CHEBI:82315 3,3'-Dichlorobenzidine CAS:91-94-1 KEGG COMPOUND 0 C12H14O4 InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2 WPYCRFCQABTEKC-UHFFFAOYSA-N 222.23720 222.08921 C(Oc1cccc(OCC2CO2)c1)C1CO1 CAS:101-90-6 KEGG:C19228 chebi_ontology CHEBI:82318 Diglycidyl resorcinol ether CAS:101-90-6 KEGG COMPOUND 0 C10H12O2 InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3 MYEIDJPOUKASEC-UHFFFAOYSA-N 164.20110 164.08373 CCCc1ccc2OCOc2c1 CAS:94-58-6 KEGG:C19229 chebi_ontology 1,2-(Methylenedioxy)-4-propylbenzene CHEBI:82319 Dihydrosafrole CAS:94-58-6 KEGG COMPOUND 1,2-(Methylenedioxy)-4-propylbenzene KEGG_COMPOUND 0 C14H16N2O2 InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3 JRBJSXQPQWSCCF-UHFFFAOYSA-N 244.28900 244.12118 COc1cc(ccc1N)-c1ccc(N)c(OC)c1 CAS:119-90-4 KEGG:C19231 chebi_ontology ortho-Dianisidine CHEBI:82321 3,3'-Dimethoxybenzidine CAS:119-90-4 KEGG COMPOUND ortho-Dianisidine KEGG_COMPOUND 0 C5H8O2 InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3 JIGUQPWFLRLWPJ-UHFFFAOYSA-N 100.11580 100.05243 CCOC(=O)C=C CAS:140-88-5 HMDB:HMDB0033978 KEGG:C19238 chebi_ontology CHEBI:82327 Ethyl acrylate CAS:140-88-5 KEGG COMPOUND 0 C3H7N InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3 OZDGMOYKSFPLSE-UHFFFAOYSA-N 57.09440 57.05785 CC1CN1 CAS:75-55-8 KEGG:C19257 chebi_ontology Propyleneimine CHEBI:82340 2-Methylaziridine CAS:75-55-8 KEGG COMPOUND Propyleneimine KEGG_COMPOUND 0 C19H14 InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3 GOHBXWHNJHENRX-UHFFFAOYSA-N 242.31450 242.10955 Cc1cc2ccccc2c2ccc3ccccc3c12 CAS:3697-24-3 KEGG:C19259 chebi_ontology CHEBI:82342 5-Methylchrysene CAS:3697-24-3 KEGG COMPOUND 0 C6H12O InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 NTIZESTWPVYFNL-UHFFFAOYSA-N 100.15890 100.08882 CC(C)CC(C)=O CAS:108-10-1 HMDB:HMDB0002939 KEGG:C19263 KEGG:D04989 PMID:12592578 PMID:16464817 PMID:17314143 PMID:17485256 PMID:22284503 PMID:24657864 PMID:5556886 PMID:7987494 PPDB:1303 Wikipedia:Methyl_isobutyl_ketone chebi_ontology 2-Methyl-4-pentanal 2-Methyl-4-pentanone 2-Methylpropyl methyl ketone 4-Methyl-2-oxopentane 4-Methyl-2-pentanon 4-Methyl-2-pentanone 4-Methyl-pentan-2-on 4-Methylpentan-2-one 4-Metilpentan-2-one 4-methylpentan-2-one Ethyl iso-butyl ketone Hexanone Hexon Hexone Isobutyl methyl ketone Isobutyl-methylketon Isohexanone Isopropyl acetone Isopropylacetone Methyl I-butyl ketone Methyl-isobutyl-cetone Methylisobutylketon Methylpentan-2-one Metilisobutilchetone Metyloizobutyloketon Shell mibk CHEBI:82344 Methyl isobutyl ketone CAS:108-10-1 KEGG COMPOUND PMID:12592578 Europe PMC PMID:16464817 Europe PMC PMID:17314143 Europe PMC PMID:17485256 Europe PMC PMID:22284503 Europe PMC PMID:24657864 Europe PMC PMID:5556886 Europe PMC PMID:7987494 Europe PMC 2-Methyl-4-pentanal HMDB 2-Methyl-4-pentanone HMDB 2-Methylpropyl methyl ketone HMDB 4-Methyl-2-oxopentane HMDB 4-Methyl-2-pentanon HMDB 4-Methyl-2-pentanone HMDB 4-Methyl-pentan-2-on HMDB 4-Methylpentan-2-one HMDB 4-Metilpentan-2-one HMDB 4-methylpentan-2-one HMDB Ethyl iso-butyl ketone HMDB Hexanone HMDB Hexon HMDB Hexone HMDB Isobutyl methyl ketone HMDB Isobutyl-methylketon HMDB Isohexanone HMDB Isopropyl acetone HMDB Isopropylacetone HMDB Methyl I-butyl ketone HMDB Methyl-isobutyl-cetone HMDB Methylisobutylketon HMDB Methylpentan-2-one HMDB Metilisobutilchetone HMDB Metyloizobutyloketon HMDB Shell mibk HMDB 0 C18H11NO2 InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H UAWLTQJFZUYROA-UHFFFAOYSA-N 273.28540 273.07898 [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12 CAS:7496-02-8 KEGG:C19271 chebi_ontology CHEBI:82351 6-Nitrochrysene CAS:7496-02-8 KEGG COMPOUND 0 C16H9NO2 InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H UISKIUIWPSPSAV-UHFFFAOYSA-N 247.24820 247.06333 [O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23 CAS:57835-92-4 KEGG:C19276 chebi_ontology CHEBI:82355 4-Nitropyrene CAS:57835-92-4 KEGG COMPOUND 0 C8H18N2O InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3 YGJHZCLPZAZIHH-UHFFFAOYSA-N 158.24130 158.14191 CCCCN(CCCC)N=O CAS:924-16-3 KEGG:C19277 chebi_ontology N,N-Dibutylnitrosoamine CHEBI:82356 N-Nitrosodi-n-butylamine CAS:924-16-3 KEGG COMPOUND N,N-Dibutylnitrosoamine KEGG_COMPOUND 0 C6H14N2O InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3 YLKFDHTUAUWZPQ-UHFFFAOYSA-N 130.18820 130.11061 CCCN(CCC)N=O CAS:621-64-7 KEGG:C19279 chebi_ontology CHEBI:82358 N-Nitrosodi-n-propylamine CAS:621-64-7 KEGG COMPOUND 0 C3H6N2O InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3 AWZVYNHQGTZJIH-UHFFFAOYSA-N 86.09250 86.04801 CN(C=C)N=O CAS:4549-40-0 KEGG:C19282 chebi_ontology CHEBI:82361 N-Nitrosomethylvinylamine CAS:4549-40-0 KEGG COMPOUND 0 C9H10O2 InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2 FQYUMYWMJTYZTK-UHFFFAOYSA-N 150.17450 150.06808 C(Oc1ccccc1)C1CO1 CAS:122-60-1 KEGG:C19291 chebi_ontology CHEBI:82367 Phenyl glycidyl ether CAS:122-60-1 KEGG COMPOUND 0 C3H6O3S InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2 FSSPGSAQUIYDCN-UHFFFAOYSA-N 122.14300 122.00377 O=S1(=O)CCCO1 CAS:1120-71-4 KEGG:C19296 chebi_ontology CHEBI:82370 1,3-Propane sultone CAS:1120-71-4 KEGG COMPOUND 0 CN4O8 InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13 NYTOUQBROMCLBJ-UHFFFAOYSA-N 196.03270 195.97161 [O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O CAS:509-14-8 KEGG:C19300 chebi_ontology CHEBI:82372 Tetranitromethane CAS:509-14-8 KEGG COMPOUND 0 C12H12N2S InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2 ICNFHJVPAJKPHW-UHFFFAOYSA-N 216.30200 216.07212 Nc1ccc(Sc2ccc(N)cc2)cc1 CAS:139-65-1 KEGG:C19303 chebi_ontology 4,4'-Thiobisbenzenamine CHEBI:82374 4,4'-Thiodianiline CAS:139-65-1 KEGG COMPOUND 4,4'-Thiobisbenzenamine KEGG_COMPOUND 0 C3H5Cl InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2 OSDWBNJEKMUWAV-UHFFFAOYSA-N 76.52500 76.00798 ClCC=C CAS:107-05-1 KEGG:C19316 chebi_ontology CHEBI:82379 Allyl chloride CAS:107-05-1 KEGG COMPOUND 0 C15H11NO2 InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3 ZLCUIOWQYBYEBG-UHFFFAOYSA-N 237.25330 237.07898 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N CAS:82-28-0 KEGG:C19320 chebi_ontology CHEBI:82382 1-Amino-2-methylanthraquinone CAS:82-28-0 KEGG COMPOUND 0 C5H11AsO2 InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 SPTHHTGLGVZZRH-UHFFFAOYSA-N 178.06120 177.99750 C[As+](C)(C)CC([O-])=O CAS:64436-13-1 HMDB:HMDB0033206 KEGG:C19331 KNApSAcK:C00033652 Wikipedia:Arsenobetaine chebi_ontology (Carboxymethyl)trimethylarsonium hydroxide inner salt, 9CI (carboxymethyl)trimethylarsonium hydroxide inner salt 2-(Trimethylarsonio)acetate 2-(trimethylarsaniumyl)acetate Arsenobetaine monohydrate Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt CHEBI:82392 Arsenobetaine CAS:64436-13-1 KEGG COMPOUND (Carboxymethyl)trimethylarsonium hydroxide inner salt, 9CI HMDB (carboxymethyl)trimethylarsonium hydroxide inner salt HMDB 2-(Trimethylarsonio)acetate HMDB 2-(trimethylarsaniumyl)acetate HMDB Arsenobetaine monohydrate HMDB Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt HMDB 0 C14H10O4 InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H OMPJBNCRMGITSC-UHFFFAOYSA-N 242.22680 242.05791 O=C(OOC(=O)c1ccccc1)c1ccccc1 CAS:94-36-0 Drug_Central:328 HMDB:HMDB0032040 KEGG:C19346 KEGG:D03093 VSDB:1847 chebi_ontology acetoxyl benoxyl benzoperoxide benzoyl superoxide diphenylglyoxal peroxide CHEBI:82405 Benzoyl peroxide CAS:94-36-0 KEGG COMPOUND Drug_Central:328 DrugCentral acetoxyl DrugCentral benoxyl DrugCentral benzoperoxide DrugCentral benzoyl superoxide DrugCentral diphenylglyoxal peroxide DrugCentral 0 C6H12Cl2O InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3 QCFYJCYNJLBDRT-UHFFFAOYSA-N 171.06500 170.02652 CC(CCl)OC(C)CCl CAS:108-60-1 KEGG:C19350 PPDB:2927 chebi_ontology DCIP CHEBI:82409 Bis(2-chloro-1-methylethyl)ether CAS:108-60-1 KEGG COMPOUND DCIP KEGG_COMPOUND 0 CHClF2 InChI=1S/CHClF2/c2-1(3)4/h1H VOPWNXZWBYDODV-UHFFFAOYSA-N 86.46800 85.97348 FC(F)Cl CAS:75-45-6 KEGG:C19361 chebi_ontology CHEBI:82417 Chlorodifluoromethane CAS:75-45-6 KEGG COMPOUND A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines. 0 C12Br10O InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22 WHHGLZMJPXIBIX-UHFFFAOYSA-N 959.164 949.17830 C1(=C(C(=C(C(=C1Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)Br)Br CAS:1163-19-5 KEGG:C19383 PMID:24567298 PMID:25222814 PMID:26829245 PMID:26854739 PMID:27090441 PMID:27107256 PMID:27544732 PMID:28057115 PMID:28105780 PMID:28342993 PMID:28374199 PMID:28511352 PMID:28597690 PMID:28649046 PMID:28686898 Reaxys:2188438 bis(pentabromophenyl) ether chebi_ontology 1,1'-oxybis(2,3,4,5,6-pentabromobenzene) 1,2,3,4,5-pentabromo-6-(pentabromophenoxy)benzene 2,2',3,3',4,4',5,5',6,6'-decabrominated diphenyl ether 2,2',3,3',4,4',5,5',6,6'-decabromobiphenyl ether 2,2',3,3',4,4',5,5',6,6'-decabromodiphenyl ether BDE 209 BDE-209 BDE209 decaBDE decabromodiphenyl oxide pentabromophenyl ether perbromodiphenyl ether CHEBI:82436 decabromodiphenyl ether CAS:1163-19-5 ChemIDplus CAS:1163-19-5 KEGG COMPOUND CAS:1163-19-5 NIST Chemistry WebBook PMID:24567298 Europe PMC PMID:25222814 Europe PMC PMID:26829245 Europe PMC PMID:26854739 Europe PMC PMID:27090441 Europe PMC PMID:27107256 Europe PMC PMID:27544732 Europe PMC PMID:28057115 Europe PMC PMID:28105780 Europe PMC PMID:28342993 Europe PMC PMID:28374199 Europe PMC PMID:28511352 Europe PMC PMID:28597690 Europe PMC PMID:28649046 Europe PMC PMID:28686898 Europe PMC Reaxys:2188438 Reaxys bis(pentabromophenyl) ether IUPAC 1,1'-oxybis(2,3,4,5,6-pentabromobenzene) ChemIDplus 1,2,3,4,5-pentabromo-6-(pentabromophenoxy)benzene IUPAC 2,2',3,3',4,4',5,5',6,6'-decabrominated diphenyl ether ChemIDplus 2,2',3,3',4,4',5,5',6,6'-decabromobiphenyl ether ChemIDplus 2,2',3,3',4,4',5,5',6,6'-decabromodiphenyl ether ChEBI BDE 209 ChemIDplus BDE-209 ChemIDplus BDE209 ChEBI decaBDE ChemIDplus decabromodiphenyl oxide KEGG_COMPOUND pentabromophenyl ether NIST_Chemistry_WebBook perbromodiphenyl ether ChEBI 0 C4H6Cl2 InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+ FQDIANVAWVHZIR-OWOJBTEDSA-N 124.99600 123.98466 ClC\C=C\CCl CAS:110-57-6 KEGG:C19398 chebi_ontology trans-1,4-Dichloro-2-butene CHEBI:82446 trans-1,4-Dichlorobutene CAS:110-57-6 KEGG COMPOUND trans-1,4-Dichloro-2-butene KEGG_COMPOUND 0 C16H12N2O4 InChI=1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3 QZWKEPYTBWZJJA-UHFFFAOYSA-N 296.27750 296.07971 COc1cc(ccc1N=C=O)-c1ccc(N=C=O)c(OC)c1 CAS:91-93-0 KEGG:C19403 chebi_ontology CHEBI:82451 3,3'-Dimethoxybenzidine-4,4'-diisocyanate CAS:91-93-0 KEGG COMPOUND +1 C37H35N2Na2O6S2 InChI=1S/C37H36N2O6S2.2Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);;/q;2*+1/p-1 SYLHZUASBDQZLR-UHFFFAOYSA-M 713.79300 713.17264 [Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O CAS:4680-78-8 KEGG:C19428 chebi_ontology C.I. Acid Green 3 CHEBI:82471 Guinea Green B CAS:4680-78-8 KEGG COMPOUND C.I. Acid Green 3 KEGG_COMPOUND An aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4. 0 C11H18N4O2 InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N 238.28638 238.14298 CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C Beilstein:663442 CAS:23103-98-2 KEGG:C11079 PMID:17220085 PMID:23598106 PMID:23616278 PMID:23992615 PPDB:530 Pesticides:pirimicarb Reaxys:663442 Wikipedia:Pirimicarb 2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate Pirimicarb chebi_ontology Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester CHEBI:8248 pirimicarb Beilstein:663442 Beilstein CAS:23103-98-2 ChemIDplus CAS:23103-98-2 KEGG COMPOUND PMID:17220085 Europe PMC PMID:23598106 Europe PMC PMID:23616278 Europe PMC PMID:23992615 Europe PMC Pesticides:pirimicarb Alan Wood's Pesticides Reaxys:663442 Reaxys 2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate IUPAC Pirimicarb KEGG_COMPOUND Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester ChemIDplus 0 C4H6O2 InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 BAPJBEWLBFYGME-UHFFFAOYSA-N 86.08920 86.03678 COC(=O)C=C CAS:96-33-3 HMDB:HMDB0033977 KEGG:C19443 chebi_ontology CHEBI:82482 Methyl acrylate CAS:96-33-3 KEGG COMPOUND 0 C4H7NO2 InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7) CNCOEDDPFOAUMB-UHFFFAOYSA-N 101.10390 101.04768 OCNC(=O)C=C CAS:924-42-5 KEGG:C19456 chebi_ontology N-(Hydroxymethyl)acrylamide CHEBI:82492 N-Methylolacrylamide CAS:924-42-5 KEGG COMPOUND N-(Hydroxymethyl)acrylamide KEGG_COMPOUND 0 C12H6N2O2 InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H SBJCUZQNHOLYMD-UHFFFAOYSA-N 210.18820 210.04293 O=C=Nc1cccc2c(cccc12)N=C=O CAS:3173-72-6 KEGG:C19464 chebi_ontology CHEBI:82496 1,5-Naphthalene diisocyanate CAS:3173-72-6 KEGG COMPOUND 0 C12H9NO2 InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H BAJQRLZAPXASRD-UHFFFAOYSA-N 199.20540 199.06333 [O-][N+](=O)c1ccc(cc1)-c1ccccc1 CAS:92-93-3 KEGG:C19473 chebi_ontology 4-Nitro-1,1'-biphenyl CHEBI:82504 4-Nitrobiphenyl CAS:92-93-3 KEGG COMPOUND 4-Nitro-1,1'-biphenyl KEGG_COMPOUND 0 C18H16N2O InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+ JBTHDAVBDKKSRW-FMQUCBEESA-N 276.33240 276.12626 Cc1ccc(\N=N\c2c(O)ccc3ccccc23)c(C)c1 CAS:3118-97-6 KEGG:C19526 chebi_ontology C.I. Solvent Orange 7 CHEBI:82534 Sudan II CAS:3118-97-6 KEGG COMPOUND C.I. Solvent Orange 7 KEGG_COMPOUND 0 C24H12O2 InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H ZTWQZJLUUZHJGS-UHFFFAOYSA-N 332.35090 332.08373 O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccccc1c3=O CAS:128-66-5 KEGG:C19545 chebi_ontology C.I. Vat Yellow 4 Dibenzo[b,def]chrysene-7,14-dione CHEBI:82548 Vat Yellow 4 CAS:128-66-5 KEGG COMPOUND C.I. Vat Yellow 4 KEGG_COMPOUND Dibenzo[b,def]chrysene-7,14-dione KEGG_COMPOUND 0 C2H2F2 InChI=1S/C2H2F2/c1-2(3)4/h1H2 BQCIDUSAKPWEOX-UHFFFAOYSA-N 64.03410 64.01246 FC(F)=C CAS:75-38-7 KEGG:C19547 chebi_ontology 1,1-Difluoroethene CHEBI:82550 Vinylidene fluoride CAS:75-38-7 KEGG COMPOUND 1,1-Difluoroethene KEGG_COMPOUND A chromophore that is a linear tetrapyrrolic prosthetic group covalently attached to a large soluble protein phytochrome. Light absorption by the phytochrome chromophore triggers photoconversion between two spectrally distinct forms of the photoreceptor: Pr, the red light absorbing form, and Pfr, the far-red light absorbing form. PMID:2909515 chebi_ontology phytochrome chromophores CHEBI:82632 phytochrome chromophore PMID:2909515 Europe PMC phytochrome chromophores ChEBI An elemental molecular entity in which all of the atoms have atomic number 26. chebi_ontology CHEBI:82663 elemental iron Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain. -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology monounsaturated fatty acid anions CHEBI:82680 monounsaturated fatty acid anion monounsaturated fatty acid anions ChEBI An aryl thiol is a thiol in which a sulfanyl group, SH, is attached to an aryl group. 0 HSR 33.074 32.97990 S[*] KEGG:C01336 chebi_ontology an aryl thiol CHEBI:82711 aryl thiol KEGG:C01336 SUBMITTER an aryl thiol UniProt A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. 0 C11H8O3 InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 VCMMXZQDRFWYSE-UHFFFAOYSA-N 188.182 188.04734 CC1=CC(=O)C2=C(O)C=CC=C2C1=O Beilstein:1870475 CAS:481-42-5 Gmelin:959690 KEGG:C10387 KNApSAcK:C00002852 LINCS:LSM-37061 MetaCyc:CPD-4461 PDBeChem:90R PMID:14727919 PMID:14762525 PMID:16078700 PMID:16624823 PMID:18974148 PMID:19748668 PMID:20858709 PMID:21064184 PMID:21559086 PMID:21658027 PMID:21741707 Patent:CN1473468 Patent:IN183682 Patent:IN191797 Reaxys:1870475 Wikipedia:Plumbagin 5-hydroxy-2-methylnaphthalene-1,4-dione Plumbagin chebi_ontology 2-methyl-5-hydroxy-1,4-naphthoquinone 2-methyljuglone 5-hydroxy-2-methyl-1,4-naphthalenedione 5-hydroxy-2-methyl-1,4-naphthoquinone plumbaein plumbagine plumbagone CHEBI:8273 plumbagin Beilstein:1870475 ChemIDplus CAS:481-42-5 ChemIDplus CAS:481-42-5 KEGG COMPOUND Gmelin:959690 Gmelin PMID:14727919 Europe PMC PMID:14762525 Europe PMC PMID:16078700 Europe PMC PMID:16624823 Europe PMC PMID:18974148 Europe PMC PMID:19748668 Europe PMC PMID:20858709 Europe PMC PMID:21064184 Europe PMC PMID:21559086 Europe PMC PMID:21658027 Europe PMC PMID:21741707 Europe PMC Reaxys:1870475 Reaxys 5-hydroxy-2-methylnaphthalene-1,4-dione IUPAC Plumbagin KEGG_COMPOUND 2-methyl-5-hydroxy-1,4-naphthoquinone ChemIDplus 2-methyljuglone ChEBI 5-hydroxy-2-methyl-1,4-naphthalenedione ChemIDplus 5-hydroxy-2-methyl-1,4-naphthoquinone ChEBI plumbaein ChEBI plumbagine MetaCyc plumbagone ChEBI Any aldoxime derived from an aliphatic aldehyde. 0 CH2NOR 44.03270 44.01364 ON=C[*] MetaCyc:Aliphatic-Aldoximes chebi_ontology an aliphatic aldoxime CHEBI:82744 aliphatic aldoxime MetaCyc:Aliphatic-Aldoximes SUBMITTER an aliphatic aldoxime UniProt An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group. 0 C15H21NO4 InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N 279.33150 279.14706 COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C PPDB:444 methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate chebi_ontology CHEBI:82790 methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate IUPAC A methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate that is the less active S-enantiomer of metalaxyl. 0 C15H21NO4 InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m0/s1 ZQEIXNIJLIKNTD-LBPRGKRZSA-N 279.33150 279.14706 COCC(=O)N([C@@H](C)C(=O)OC)c1c(C)cccc1C Reaxys:8324516 methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-L-alaninate chebi_ontology CHEBI:82791 (S)-metalaxyl Reaxys:8324516 Reaxys methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-L-alaninate IUPAC An ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of diltiazem. The major species at pH 7.3. +1 C22H27N2O4S InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1 HSUGRBWQSSZJOP-RTWAWAEBSA-O 415.52500 415.16860 COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O 2-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chebi_ontology CHEBI:82812 diltiazem(1+) 2-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium IUPAC A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have R configuration. It is a cGMP-activated K+ channel blocker. 0 C22H26N2O4S InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1 HSUGRBWQSSZJOP-LEWJYISDSA-N 414.51800 414.16133 COc1ccc(cc1)[C@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@H]1OC(C)=O LINCS:LSM-3819 PMID:10422783 PMID:10607880 PMID:1282145 PMID:1349177 PMID:1663043 PMID:16842773 PMID:20436480 PMID:2243348 PMID:3006029 PMID:3208710 PMID:8022839 PMID:8997627 PMID:9037422 (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate chebi_ontology (-)-cis-diltiazem L-cis-diltiazem l-cis-diltiazem CHEBI:82813 ent-diltiazem PMID:10422783 Europe PMC PMID:10607880 Europe PMC PMID:1282145 Europe PMC PMID:1349177 Europe PMC PMID:1663043 Europe PMC PMID:16842773 Europe PMC PMID:20436480 Europe PMC PMID:2243348 Europe PMC PMID:3006029 Europe PMC PMID:3208710 Europe PMC PMID:8022839 Europe PMC PMID:8997627 Europe PMC PMID:9037422 Europe PMC (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate IUPAC (-)-cis-diltiazem ChEBI L-cis-diltiazem ChEBI l-cis-diltiazem ChEBI A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group. 0 C22H26N2O4S InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3 HSUGRBWQSSZJOP-UHFFFAOYSA-N 414.51800 414.16133 COc1ccc(cc1)C1Sc2ccccc2N(CCN(C)C)C(=O)C1OC(C)=O CAS:34933-06-7 LINCS:LSM-1744 Reaxys:25644899 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate chebi_ontology 3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one CHEBI:82814 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate CAS:34933-06-7 ChemIDplus Reaxys:25644899 Reaxys 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate IUPAC 3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one ChemIDplus An ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of ent-diltiazem. The major species at pH 7.3. +1 C22H27N2O4S InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m0/s1 HSUGRBWQSSZJOP-LEWJYISDSA-O 415.52500 415.16860 COc1ccc(cc1)[C@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@H]1OC(C)=O 2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chebi_ontology CHEBI:82816 ent-diltiazem(1+) 2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium IUPAC A dicarboximide that is phthalimide or derivatives obtained from it by the formal replacement of one or more hydrogens. 0 C8NO2R5 142.09110 141.99290 [*]N1C(=O)c2c(C1=O)c([*])c([*])c([*])c2[*] chebi_ontology CHEBI:82851 phthalimides A Daphnia metabolite produced by the species Daphnia galeata. chebi_ontology Daphnia galeata metabolites CHEBI:83038 Daphnia galeata metabolite Daphnia galeata metabolites ChEBI An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill. chebi_ontology crustacean metabolites CHEBI:83039 crustacean metabolite crustacean metabolites ChEBI A Daphnia metabolite produced by the species Daphnia magna. chebi_ontology Daphnia magna metabolites CHEBI:83056 Daphnia magna metabolite Daphnia magna metabolites ChEBI A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia Wikipedia:Daphnia chebi_ontology Daphnia metabolites CHEBI:83057 Daphnia metabolite Daphnia metabolites ChEBI Any salt derived from a member of the class of dithiocarbamic acids by the formal replacement of the hydrogen of the dithiocarboxy group by a metal. chebi_ontology dithiocarbamate salts CHEBI:83060 dithiocarbamate salt dithiocarbamate salts ChEBI A member of the class of dithiocarbamic acids that is dimethylcarbamic acid in which both of the oxygens are replaced by sulfur. 0 C3H7NS2 InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6) MZGNSEAPZQGJRB-UHFFFAOYSA-N 121.22400 121.00199 CN(C)C(S)=S CAS:79-45-8 Reaxys:1740846 dimethylcarbamodithioic acid chebi_ontology DMDC N,N-dimethyldithiocarbamate N,N-dimethyldithiocarbamic acid dimethylcarbamodithioic acid dimethyldithiocarbamate CHEBI:83061 dimethyldithiocarbamic acid CAS:79-45-8 ChemIDplus CAS:79-45-8 NIST Chemistry WebBook Reaxys:1740846 Reaxys dimethylcarbamodithioic acid IUPAC DMDC ChEBI N,N-dimethyldithiocarbamate ChEBI N,N-dimethyldithiocarbamic acid ChemIDplus dimethylcarbamodithioic acid ChemIDplus dimethyldithiocarbamate ChemIDplus An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1. Wikipedia:Succinate_dehydrogenase chebi_ontology EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitors EC 1.3.5.1 inhibitor EC 1.3.5.1 inhibitors SDH inhibitor SDH inhibitors complex II inhibitor complex II inhibitors succinate dehydrogenase (ubiquinone) inhibitor succinate dehydrogenase (ubiquinone) inhibitors succinate dehydrogenase complex inhibitor succinate dehydrogenase complex inhibitors succinate dehydrogenase inhibitor succinate dehydrogenase inhibitors succinate:quinone oxidoreductase inhibitor succinate:quinone oxidoreductase inhibitors succinate:ubiquinone oxidoreductase inhibitor succinate:ubiquinone oxidoreductase inhibitors succinic dehydrogenase inhibitor succinic dehydrogenase inhibitors CHEBI:83072 EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitors ChEBI EC 1.3.5.1 inhibitor ChEBI EC 1.3.5.1 inhibitors ChEBI SDH inhibitor ChEBI SDH inhibitors ChEBI complex II inhibitor ChEBI complex II inhibitors ChEBI succinate dehydrogenase (ubiquinone) inhibitor ChEBI succinate dehydrogenase (ubiquinone) inhibitors ChEBI succinate dehydrogenase complex inhibitor ChEBI succinate dehydrogenase complex inhibitors ChEBI succinate dehydrogenase inhibitor ChEBI succinate dehydrogenase inhibitors ChEBI succinate:quinone oxidoreductase inhibitor ChEBI succinate:quinone oxidoreductase inhibitors ChEBI succinate:ubiquinone oxidoreductase inhibitor ChEBI succinate:ubiquinone oxidoreductase inhibitors ChEBI succinic dehydrogenase inhibitor ChEBI succinic dehydrogenase inhibitors ChEBI A Daphnia metabolite produced by the species Daphnia tenebrosa. chebi_ontology Daphnia tenebrosa metabolites CHEBI:83146 Daphnia tenebrosa metabolite Daphnia tenebrosa metabolites ChEBI A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products. 0 C8H12INO2 InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11) WYVVKGNFXHOCQV-UHFFFAOYSA-N 281.09090 280.99127 CCCCNC(=O)OCC#CI CAS:55406-53-6 PMID:11011936 PMID:12022126 PMID:15377347 PMID:16854476 PMID:23514087 PMID:23869727 Pesticides:iodocarb Wikipedia:Iodopropynyl_butylcarbamate 3-iodoprop-2-yn-1-yl butylcarbamate chebi_ontology 3-iodo-2-propyn-1-yl N-butylcarbamate 3-iodo-2-propynyl butylcarbamate 3-iodoprop-2-ynyl butylcarbamate IPBC Iodopropynyl butylcarbamate Troysan KK-108A Troysan polyphase anti-mildew Woodlife butyl-3-iodo-2-propynylcarbamate iodocarb iodocarbe CHEBI:83279 3-iodoprop-2-yn-1-yl butylcarbamate CAS:55406-53-6 Alan Wood's Pesticides CAS:55406-53-6 ChemIDplus PMID:11011936 Europe PMC PMID:12022126 Europe PMC PMID:15377347 Europe PMC PMID:16854476 Europe PMC PMID:23514087 Europe PMC PMID:23869727 Europe PMC Pesticides:iodocarb Alan Wood's Pesticides 3-iodoprop-2-yn-1-yl butylcarbamate IUPAC 3-iodo-2-propyn-1-yl N-butylcarbamate Alan_Wood's_Pesticides 3-iodo-2-propynyl butylcarbamate ChemIDplus 3-iodoprop-2-ynyl butylcarbamate Alan_Wood's_Pesticides IPBC ChEBI Iodopropynyl butylcarbamate ChemIDplus Troysan KK-108A ChemIDplus Troysan polyphase anti-mildew ChemIDplus Woodlife ChemIDplus butyl-3-iodo-2-propynylcarbamate ChemIDplus iodocarb ChemIDplus iodocarbe ChEBI A member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group. 0 C19H31N InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3 MGNFYQILYYYUBS-UHFFFAOYSA-N 273.45610 273.24565 CC(CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine chebi_ontology 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)piperidine CHEBI:83291 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine IUPAC 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)piperidine ChemIDplus A 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine that has R configuration. 0 C19H31N InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3/t16-/m1/s1 MGNFYQILYYYUBS-MRXNPFEDSA-N 273.45610 273.24565 C[C@@H](CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C 1-[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine chebi_ontology CHEBI:83293 (R)-fenpropidin 1-[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine IUPAC A 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine that has S configuration. 0 C19H31N InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3/t16-/m0/s1 MGNFYQILYYYUBS-INIZCTEOSA-N 273.45610 273.24565 C[C@H](CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C 1-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine chebi_ontology CHEBI:83294 (S)-fenpropidin 1-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine IUPAC Any compound that inhibits the biosynthesis of any sterol. chebi_ontology sterol biosynthesis inhibitors CHEBI:83317 sterol biosynthesis inhibitor sterol biosynthesis inhibitors ChEBI An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of Delta(14)-sterol reductase (EC 1.3.1.70). Wikipedia:Delta14-sterol_reductase chebi_ontology 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol:NADP(+) Delta(14)-oxidoreductase inhibitor 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol:NADP(+) Delta(14)-oxidoreductase inhibitors C-14 sterol reductase inhibitor C-14 sterol reductase inhibitors Delta(14)-sterol reductase (EC 1.3.1.70) inhibitor Delta(14)-sterol reductase (EC 1.3.1.70) inhibitors Delta(14)-sterol reductase inhibitor Delta(14)-sterol reductase inhibitors EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitors EC 1.3.1.70 inhibitor EC 1.3.1.70 inhibitors sterol C14-reductase inhibitor sterol C14-reductase inhibitors CHEBI:83319 EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol:NADP(+) Delta(14)-oxidoreductase inhibitor ChEBI 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol:NADP(+) Delta(14)-oxidoreductase inhibitors ChEBI C-14 sterol reductase inhibitor ChEBI C-14 sterol reductase inhibitors ChEBI Delta(14)-sterol reductase (EC 1.3.1.70) inhibitor ChEBI Delta(14)-sterol reductase (EC 1.3.1.70) inhibitors ChEBI Delta(14)-sterol reductase inhibitor ChEBI Delta(14)-sterol reductase inhibitors ChEBI EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitors ChEBI EC 1.3.1.70 inhibitor ChEBI EC 1.3.1.70 inhibitors ChEBI sterol C14-reductase inhibitor ChEBI sterol C14-reductase inhibitors ChEBI A member of the class of pyrazoles in which one of the carbons of the pyrazole ring is substituted by an oxo group. chebi_ontology pyrazolones CHEBI:83328 pyrazolone pyrazolones ChEBI An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid. 0 O3SR2 80.06300 79.95681 [*]S(=O)(=O)O[*] chebi_ontology organosulfonate ester organosulfonate esters organosulfonic esters CHEBI:83347 organosulfonic ester organosulfonate ester ChEBI organosulfonate esters ChEBI organosulfonic esters ChEBI A racemate comprising equimolar amounts of (R)- and (S)-meptyldinocap. A fungicide that is active against powdery mildew mainly on grapes, cucurbits and strawberries. Whilst it is not highly to toxic to birds is is toxic to many aquatic species including fish and algae. CAS:131-72-6 PMID:21313826 PMID:23285981 PMID:23505246 PMID:23654228 PMID:23841335 Pesticides:meptyldinocap Reaxys:2546978 rac-2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate chebi_ontology (+-)-meptyldinocap (E)-2-(1-Methylheptyl)-4,6-dinitrophenyl 2-butenoate (RS)-2-(1-methylheptyl)-4,6-dinitrophenyl crotonate (RS)-meptyldinocap 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate 2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate rac-meptyldinocap racemic meptyldinocap CHEBI:83372 meptyldinocap CAS:131-72-6 ChemIDplus PMID:21313826 Europe PMC PMID:23285981 Europe PMC PMID:23505246 Europe PMC PMID:23654228 Europe PMC PMID:23841335 Europe PMC Pesticides:meptyldinocap Alan Wood's Pesticides Reaxys:2546978 Reaxys rac-2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate IUPAC (+-)-meptyldinocap ChEBI (E)-2-(1-Methylheptyl)-4,6-dinitrophenyl 2-butenoate ChemIDplus (RS)-2-(1-methylheptyl)-4,6-dinitrophenyl crotonate Alan_Wood's_Pesticides (RS)-meptyldinocap ChEBI 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate ChemIDplus 2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate Alan_Wood's_Pesticides rac-meptyldinocap ChEBI racemic meptyldinocap ChEBI An enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-(octan-2-yl)phenol. 0 C18H24N2O6 InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+ NIOPZPCMRQGZCE-WEVVVXLNSA-N 364.39300 364.16344 CCCCCCC(C)c1cc(cc(c1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O PPDB:439 2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate chebi_ontology CHEBI:83375 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate 2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate IUPAC A 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (R)-enantiomer of meptyldinocap. 0 C18H24N2O6 InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+/t13-/m1/s1 NIOPZPCMRQGZCE-OMDQHUAHSA-N 364.39300 364.16344 CCCCCC[C@@H](C)c1cc(cc(c1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O 2,4-dinitro-6-[(2R)-octan-2-yl]phenyl (2E)-but-2-enoate chebi_ontology CHEBI:83376 (R)-meptyldinocap 2,4-dinitro-6-[(2R)-octan-2-yl]phenyl (2E)-but-2-enoate IUPAC A 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (S)-enantiomer of meptyldinocap. 0 C18H24N2O6 InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+/t13-/m0/s1 NIOPZPCMRQGZCE-NEXMIYJRSA-N 364.39300 364.16344 CCCCCC[C@H](C)c1cc(cc(c1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O 2,4-dinitro-6-[(2S)-octan-2-yl]phenyl (2E)-but-2-enoate chebi_ontology CHEBI:83378 (S)-meptyldinocap 2,4-dinitro-6-[(2S)-octan-2-yl]phenyl (2E)-but-2-enoate IUPAC A multi-component mixture comprising 2,6-dinitro-4-octanylphenyl and 2,4-dinitro-6-octanylphenyl esters of (2E)-but-2-enoic acid in which 'octanyl' is a mixture of octan-2-yl, octan-3-yl and octan-4-yl groups. The mixture is used as a protectant fungicide for powdery mildew control. The most active component is 2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate, which has the ISO common name meptyldinocap. PMID:1455432 PMID:18755509 PMID:2772841 PMID:2874635 PMID:2878503 PMID:2888213 PMID:3341037 PMID:3381329 PMID:3400070 PMID:3537858 PMID:3558631 PMID:741477 Pesticides:dinocap chebi_ontology CHEBI:83379 dinocap PMID:1455432 Europe PMC PMID:18755509 Europe PMC PMID:2772841 Europe PMC PMID:2874635 Europe PMC PMID:2878503 Europe PMC PMID:2888213 Europe PMC PMID:3341037 Europe PMC PMID:3381329 Europe PMC PMID:3400070 Europe PMC PMID:3537858 Europe PMC PMID:3558631 Europe PMC PMID:741477 Europe PMC Pesticides:dinocap Alan Wood's Pesticides A mixture of 2,6-dinitro-4-octylphenyl crotonates in which 'octyl' is a mixture of 1-methylheptyl, 1-ethylhexyl and 1-propylpentyl groups. A component of dinocap, which is used as a protectant fungicide for powdery mildew control. 0 C18H24N2O6 364.394 364.16344 C\C=C\C(=O)Oc1c(cc([*])cc1[N+]([O-])=O)[N+]([O-])=O Pesticides:dinocap-4 chebi_ontology CHEBI:83380 dinocap-4 Pesticides:dinocap-4 Alan Wood's Pesticides A mixture of 2,4-dinitro-6-octylphenyl crotonates in which 'octyl' is a mixture of 1-methylheptyl, 1-ethylhexyl and 1-propylpentyl groups. A component of dinocap, which is used as a protectant fungicide for powdery mildew control. The most active component is where R = 1-methylheptyl, which has the ISO common name meptyldinocap. 0 C18H24N2O6 364.394 364.16344 C\C=C\C(=O)Oc1c([*])cc(cc1[N+]([O-])=O)[N+]([O-])=O Pesticides:dinocap-6 chebi_ontology CHEBI:83382 dinocap-6 Pesticides:dinocap-6 Alan Wood's Pesticides Any member of the class of chlorobenzenes in which a benzene ring is substituted by five chloro groups. chebi_ontology CHEBI:83390 pentachlorobenzenes A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively. 0 C12H4Cl2F6N4OS InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 ZOCSXAVNDGMNBV-UHFFFAOYSA-N 437.14800 435.93871 Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F LINCS:LSM-1608 PPDB:316 VSDB:316 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile chebi_ontology CHEBI:83394 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile IUPAC A 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has R configuration at the sulfoxide. 0 C12H4Cl2F6N4OS InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1 ZOCSXAVNDGMNBV-AREMUKBSSA-N 437.14800 435.93871 Nc1c([S@@+]([O-])C(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N PMID:14667049 PMID:17562454 PMID:17687584 PMID:18835630 PMID:19355792 PMID:20821427 PMID:22502899 PMID:23109279 PMID:24742550 PMID:24899256 PMID:25077813 Reaxys:11246529 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile chebi_ontology (-)-fipronil (R)-(-)-fipronil CHEBI:83395 (R)-fipronil PMID:14667049 Europe PMC PMID:17562454 Europe PMC PMID:17687584 Europe PMC PMID:18835630 Europe PMC PMID:19355792 Europe PMC PMID:20821427 Europe PMC PMID:22502899 Europe PMC PMID:23109279 Europe PMC PMID:24742550 Europe PMC PMID:24899256 Europe PMC PMID:25077813 Europe PMC Reaxys:11246529 Reaxys 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile IUPAC (-)-fipronil ChEBI (R)-(-)-fipronil ChEBI A 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has S configuration at the sulfoxide. 0 C12H4Cl2F6N4OS InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m0/s1 ZOCSXAVNDGMNBV-SANMLTNESA-N 437.14800 435.93871 Nc1c([S@+]([O-])C(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N PMID:14667049 PMID:17562454 PMID:17687584 PMID:18835630 PMID:19355792 PMID:20821427 PMID:22502899 PMID:23109279 PMID:24742550 PMID:24899256 PMID:25077813 Reaxys:11246528 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(S)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile chebi_ontology (+)-fipronil (S)-(+)-fipronil CHEBI:83396 (S)-fipronil PMID:14667049 Europe PMC PMID:17562454 Europe PMC PMID:17687584 Europe PMC PMID:18835630 Europe PMC PMID:19355792 Europe PMC PMID:20821427 Europe PMC PMID:22502899 Europe PMC PMID:23109279 Europe PMC PMID:24742550 Europe PMC PMID:24899256 Europe PMC PMID:25077813 Europe PMC Reaxys:11246528 Reaxys 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(S)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile IUPAC (+)-fipronil ChEBI (S)-(+)-fipronil ChEBI Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. chebi_ontology marine xenobiotic metabolites CHEBI:83399 marine xenobiotic metabolite marine xenobiotic metabolites ChEBI Any member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine. chebi_ontology CHEBI:83403 monochlorobenzenes An organosulfate oxoanion obtained by deprotonation of the sulfo group of any alkyl sulfate; major species at pH 7.3. -1 O4SR 96.064 95.95173 [O-]S(=O)(=O)O[*] MetaCyc:Organo-Sulfates chebi_ontology alkyl sulfate anion an alkyl sulfate CHEBI:83414 alkyl sulfate(1-) MetaCyc:Organo-Sulfates SUBMITTER alkyl sulfate anion ChEBI an alkyl sulfate UniProt An enamide resulting from the formal condensation of (2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity. 0 C21H22ClNO4 InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+ QNBTYORWCCMPQP-NBVRZTHBSA-N 387.85700 387.12374 COc1ccc(cc1OC)C(=C\C(=O)N1CCOCC1)\c1ccc(Cl)cc1 CAS:113210-97-2 PMID:12033804 PMID:20623489 PMID:22902184 PMID:23496017 Reaxys:8794474 (2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one chebi_ontology Dimethomorph E E-Dimethomorph CHEBI:83426 (E)-dimethomorph CAS:113210-97-2 ChemIDplus PMID:12033804 Europe PMC PMID:20623489 Europe PMC PMID:22902184 Europe PMC PMID:23496017 Europe PMC Reaxys:8794474 Reaxys (2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one IUPAC Dimethomorph E ChemIDplus E-Dimethomorph ChemIDplus An enamide resulting from the formal condensation of (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity. 0 C21H22ClNO4 InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14- QNBTYORWCCMPQP-JXAWBTAJSA-N 387.85700 387.12374 COc1ccc(cc1OC)C(=C/C(=O)N1CCOCC1)\c1ccc(Cl)cc1 CAS:113210-98-3 PMID:12033804 PMID:20623489 PMID:22902184 PMID:23496017 Reaxys:11343579 chebi_ontology (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one Dimethomorph Z Z-Dimethomorph CHEBI:83427 (Z)-dimethomorph CAS:113210-98-3 ChemIDplus PMID:12033804 Europe PMC PMID:20623489 Europe PMC PMID:22902184 Europe PMC PMID:23496017 Europe PMC Reaxys:11343579 Reaxys (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one ChEBI Dimethomorph Z ChEBI Z-Dimethomorph ChEBI A pyrimidone that is pyrimidin-4(1H)-one substituted by a methyl group at position 6 and an isopropyl group at position 2. It is a metabolite of diazinon. 0 C8H12N2O InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11) AJPIUNPJBFBUKK-UHFFFAOYSA-N 152.19370 152.09496 CC(C)c1nc(=O)cc(C)[nH]1 Reaxys:13387839 6-methyl-2-(propan-2-yl)pyrimidin-4(1H)-one chebi_ontology pyrimidinol CHEBI:83445 2-isopropyl-6-methyl-4-pyrimidinone Reaxys:13387839 Reaxys 6-methyl-2-(propan-2-yl)pyrimidin-4(1H)-one IUPAC pyrimidinol ChEBI A methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used as a post-emergence herbicide for the control of grass and broad-leaved weeds. 0 C12H13N5O6S2 InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19) AHTPATJNIAFOLR-UHFFFAOYSA-N 387.394 387.03073 S1C=CC(=C1C(OC)=O)S(NC(=O)NC=2N=C(N=C(N2)OC)C)(=O)=O CHEBI:9545 AGR:IND20379846 AGR:IND20613838 AGR:IND21240738 AGR:IND21806724 AGR:IND603406569 AGR:IND93001444 CAS:79277-27-3 KEGG:C10957 PMID:17071910 PMID:23276408 PMID:23374295 PMID:23598033 PMID:25773196 PPDB:635 Pesticides:derivatives/thifensulfuron-methyl Reaxys:7448062 methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylate chebi_ontology Thifensulfuron methyl methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate thiameturon-methyl CHEBI:83453 thifensulfuron-methyl AGR:IND20379846 Europe PMC AGR:IND20613838 Europe PMC AGR:IND21240738 Europe PMC AGR:IND21806724 Europe PMC AGR:IND603406569 Europe PMC AGR:IND93001444 Europe PMC CAS:79277-27-3 Alan Wood's Pesticides CAS:79277-27-3 ChemIDplus CAS:79277-27-3 KEGG COMPOUND PMID:17071910 Europe PMC PMID:23276408 Europe PMC PMID:23374295 Europe PMC PMID:23598033 Europe PMC PMID:25773196 Europe PMC Pesticides:derivatives/thifensulfuron-methyl Alan Wood's Pesticides Reaxys:7448062 Reaxys methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylate IUPAC Thifensulfuron methyl KEGG_COMPOUND methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate Alan_Wood's_Pesticides thiameturon-methyl Alan_Wood's_Pesticides A monocarboxylic acid that is 3,5-dioxocyclohexanecarboxylic acid substituted by a cyclopropyl(hydroxy)methylidene group at position 4. It is a metabolite of the plant growth regulator trinexapac-ethyl. 0 C11H12O5 InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)/b10-9- DFFWZNDCNBOKDI-KTKRTIGZSA-N 224.210 224.06847 C/1(\C(CC(CC1=O)C(O)=O)=O)=C(\C2CC2)/O CAS:104273-73-6 CAS:143294-89-7 PMID:13129284 Pesticides:trinexapac Reaxys:11657039 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylic acid chebi_ontology (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylic acid 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid cimectacarb cimetacarb CHEBI:83454 trinexapac CAS:104273-73-6 Alan Wood's Pesticides CAS:104273-73-6 ChemIDplus CAS:143294-89-7 ChemIDplus PMID:13129284 Europe PMC Pesticides:trinexapac Alan Wood's Pesticides Reaxys:11657039 Reaxys 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylic acid IUPAC (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylic acid Alan_Wood's_Pesticides 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid Alan_Wood's_Pesticides cimectacarb Alan_Wood's_Pesticides cimetacarb Alan_Wood's_Pesticides A member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5. 0 C7H7N3 InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) LRUDIIUSNGCQKF-UHFFFAOYSA-N 133.15060 133.06400 Cc1ccc2[nH]nnc2c1 CAS:136-85-6 PMID:24621328 PMID:24746525 Reaxys:116658 5-methyl-1H-benzotriazole chebi_ontology 5-Tolyltriazole Tolutriazole CHEBI:83455 5-methyl-1H-benzotriazole CAS:136-85-6 NIST Chemistry WebBook PMID:24621328 Europe PMC PMID:24746525 Europe PMC Reaxys:116658 Reaxys 5-methyl-1H-benzotriazole IUPAC 5-Tolyltriazole NIST_Chemistry_WebBook Tolutriazole NIST_Chemistry_WebBook An aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2. 0 C14H13ClO5S InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 PQTBTIFWAXVEPB-UHFFFAOYSA-N 328.76800 328.01722 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1 CAS:99105-77-8 PMID:23821594 PMID:25052526 PMID:25331320 PPDB:600 Pesticides:sulcotrione Reaxys:8155739 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione chebi_ontology CHEBI:83465 sulcotrione CAS:99105-77-8 ChemIDplus PMID:23821594 Europe PMC PMID:25052526 Europe PMC PMID:25331320 Europe PMC Pesticides:sulcotrione Alan Wood's Pesticides Reaxys:8155739 Reaxys 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione IUPAC A monocarboxylic acid that is perfluorinated pentanoic acid. 0 C5HF9O2 InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16) CXZGQIAOTKWCDB-UHFFFAOYSA-N 264.046 263.98328 C(C(C(C(C(O)=O)(F)F)(F)F)(F)F)(F)(F)F CAS:2706-90-3 PMID:24206563 PMID:24867700 PMID:24952613 Reaxys:1800087 nonafluoropentanoic acid chebi_ontology 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid nonafluoro-1-pentanoic acid perfluorovaleric acid CHEBI:83491 perfluoropentanoic acid CAS:2706-90-3 ChemIDplus PMID:24206563 Europe PMC PMID:24867700 Europe PMC PMID:24952613 Europe PMC Reaxys:1800087 Reaxys nonafluoropentanoic acid IUPAC 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid ChemIDplus nonafluoro-1-pentanoic acid ChemIDplus perfluorovaleric acid ChemIDplus A monocarboxylic acid that is perfluorinated hexanoic acid. 0 C6HF11O2 InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19) PXUULQAPEKKVAH-UHFFFAOYSA-N 314.05340 313.98009 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:307-24-4 PMID:24113473 PMID:24158108 PMID:24768527 PMID:25377447 Reaxys:1805852 undecafluorohexanoic acid chebi_ontology 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid CHEBI:83492 perfluorohexanoic acid CAS:307-24-4 ChemIDplus PMID:24113473 Europe PMC PMID:24158108 Europe PMC PMID:24768527 Europe PMC PMID:25377447 Europe PMC Reaxys:1805852 Reaxys undecafluorohexanoic acid IUPAC 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid ChemIDplus A fluoroalkanoic acid that is perfluorinated undecanoic acid. 0 C11HF21O2 InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34) SIDINRCMMRKXGQ-UHFFFAOYSA-N 564.09090 563.96412 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:2058-94-8 PMID:24418714 PMID:24486970 PMID:24952613 Reaxys:2318888 henicosafluoroundecanoic acid chebi_ontology CHEBI:83493 perfluoroundecanoic acid CAS:2058-94-8 ChemIDplus PMID:24418714 Europe PMC PMID:24486970 Europe PMC PMID:24952613 Europe PMC Reaxys:2318888 Reaxys henicosafluoroundecanoic acid IUPAC A fluorotelomer that is oct-2-enoic acid substituted by fluoro groups at positions 3, 4, 4, 5, 5,6, 6, 7, 7, 8, 8 and 8 respectively. 0 C8H2F12O2 InChI=1S/C8H2F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22) BKOBFLVYTXYFQZ-UHFFFAOYSA-N 358.081 357.98632 C(C(C(F)(F)F)(F)F)(C(C(C(=C(C(O)=O)[H])F)(F)F)(F)F)(F)F PMID:23229192 Reaxys:2172389 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enoic acid chebi_ontology CHEBI:83494 6:2 fluorotelomer unsaturated carboxylic acid PMID:23229192 Europe PMC Reaxys:2172389 Reaxys 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enoic acid IUPAC A fluorotelomer that is dec-2-enoic acid substituted by fluoro groups at positions 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10 and 10 respectively. 0 C10H2F16O2 InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28) WHZXTVOEGZRRJM-UHFFFAOYSA-N 458.09610 457.97993 OC(=O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Reaxys:2192188 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid chebi_ontology CHEBI:83495 8:2 fluorotelomer unsaturated carboxylic acid Reaxys:2192188 Reaxys 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid IUPAC A racemate composed of equimolar amounts of (R)- and (S)-climbazole. It is a topically applied antifungal agent used to treat human fungal skin infections. 0 C15H17ClN2O2 292.761 292.09786 CAS:38083-17-9 PMID:11552297 PMID:11824557 PMID:18950734 PMID:21272039 PMID:23542433 PMID:23958691 PMID:23982925 PMID:24811958 PMID:25794970 PMID:27378240 Patent:DE102012203240 Pesticides:climbazole Reaxys:618020 Wikipedia:Climbazole rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one chebi_ontology (RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one 1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone Climbazolum climbazol climbazole CHEBI:83499 climbazole CAS:38083-17-9 ChemIDplus PMID:11552297 Europe PMC PMID:11824557 Europe PMC PMID:18950734 Europe PMC PMID:21272039 Europe PMC PMID:23542433 Europe PMC PMID:23958691 Europe PMC PMID:23982925 Europe PMC PMID:24811958 Europe PMC PMID:25794970 Europe PMC PMID:27378240 Europe PMC Pesticides:climbazole Alan Wood's Pesticides Reaxys:618020 Reaxys rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one IUPAC (RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one Alan_Wood's_Pesticides 1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone ChEBI Climbazolum ChemIDplus climbazol ChEBI climbazol ChemIDplus climbazole WHO_MedNet A sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom. 0 C13H9F6N5O4S InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25) KVEQCVKVIFQSGC-UHFFFAOYSA-N 445.29700 445.02794 COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F CAS:142469-14-5 PMID:17311398 PPDB:674 Patent:EA013226 Patent:NZ541924 Patent:NZ570537 Pesticides:tritosulfuron Reaxys:11343519 N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide chebi_ontology 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea CHEBI:83500 tritosulfuron CAS:142469-14-5 ChemIDplus PMID:17311398 Europe PMC Pesticides:tritosulfuron Alan Wood's Pesticides Reaxys:11343519 Reaxys N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide IUPAC 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea ChEBI A sulfamate ester that is 1,2,3-oxathiazin-4(3H)-one 2,2-dioxide substituted by a methyl group at position 6. acesulfame k http://langual.org Codex::950 Europe::950 http://www.langual.org/langual_thesaurus.asp?termid=B2976 acesulfame potassium LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, sweetener. acesulfame A member of the class of benzamides that is N,N-dimethylbenzamide substituted by a formylamino group at position 4 and a [(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl group at position 2. 0 C17H20N6O7S InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26) PXDNXJSDGQBLKS-UHFFFAOYSA-N 452.44200 452.11142 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1 AGR:IND44682995 CAS:173159-57-4 PMID:25180862 PPDB:357 Patent:NZ570537 Pesticides:foramsulfuron Reaxys:11343669 2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-4-(formylamino)-N,N-dimethylbenzamide chebi_ontology 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)-5-formamidophenylsulfonyl]urea CHEBI:83502 foramsulfuron AGR:IND44682995 Europe PMC CAS:173159-57-4 ChemIDplus PMID:25180862 Europe PMC Pesticides:foramsulfuron Alan Wood's Pesticides Reaxys:11343669 Reaxys 2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-4-(formylamino)-N,N-dimethylbenzamide IUPAC 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)-5-formamidophenylsulfonyl]urea Alan_Wood's_Pesticides A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. neotame http://langual.org Codex::961 Europe::961 http://www.langual.org/langual_thesaurus.asp?termid=B4439 LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, sweetener. Neotame is an artificial sweetener made by NutraSweet that is between 7,000 and 13,000 times as sweet as sucrose (table sugar). Neotame was approved by the Food and Drug Administration (FDA) for general use in July 2002, and has now been approved by the EU to become a classified E number (E961), but it is not yet widely used in food products. Neotame also is approved for use in Australia and New Zealand. It is assigned the International Numbering System (INS) food additive code 961. neotame A monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom. 0 C10H4F17NO4S InChI=1S/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30) AYLOUUCBACYHAB-UHFFFAOYSA-N 557.18100 556.95896 OC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F PMID:24468635 Reaxys:1811103 N-[(heptadecafluorooctyl)sulfonyl]glycine chebi_ontology CHEBI:83505 perfluorooctane sulfonamidoacetic acid PMID:24468635 Europe PMC Reaxys:1811103 Reaxys N-[(heptadecafluorooctyl)sulfonyl]glycine IUPAC A sulfonamide that is the N-methyl derivative of perfluorooctane sulfonamidoacetic acid. 0 C11H6F17NO4S InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31) QNDHIRFIMVNHBN-UHFFFAOYSA-N 571.20700 570.97461 CN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Reaxys:9740270 N-[(heptadecafluorooctyl)sulfonyl]-N-methylglycine chebi_ontology 2-(N-methyl-perfluorooctane sulfonamido) acetic acid CHEBI:83506 N-methylperfluorooctane sulfonamidoacetic acid Reaxys:9740270 Reaxys N-[(heptadecafluorooctyl)sulfonyl]-N-methylglycine IUPAC 2-(N-methyl-perfluorooctane sulfonamido) acetic acid ChEBI A sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid. 0 C12H8F17NO4S InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32) CKRXVVGETMYFIO-UHFFFAOYSA-N 585.23400 584.99026 CCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:2991-50-6 Reaxys:1811212 chebi_ontology 2-(N-ethyl-perfluorooctane sulfonamido) acetic acid CHEBI:83507 N-ethylperfluorooctane sulfonamidoacetic acid CAS:2991-50-6 ChemIDplus Reaxys:1811212 Reaxys 2-(N-ethyl-perfluorooctane sulfonamido) acetic acid ChEBI A monoalkyl phosphate that is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol in which the hydroxyl hydrogen is substituted by a phosphate group. 0 C8H6F13O4P InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24) FZTRDYSPWWJCOF-UHFFFAOYSA-N 444.08380 443.97961 OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate chebi_ontology CHEBI:83508 perfluorooctyl phosphate 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate IUPAC An organoiodine compound that is 2,4,6-triiodobenzoic acid substituted by an acetylamino group at position 3 and a (2-hydroxyethyl)carbamoyl group at position 5. It is used as a contrast medium. 0 C12H11I3N2O5 InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22) OLAOYPRJVHUHCF-UHFFFAOYSA-N 643.93960 643.78021 CC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c1I CAS:28179-44-4 Drug_Central:4582 KEGG:D07418 PMID:3320896 PMID:4052146 PMID:4645232 Reaxys:2903918 Wikipedia:Ioxitalamic_acid 3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid chebi_ontology 5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid acide ioxitalamique acido ioxitalamico acidum ioxitalamicum ioxitalamic acid CHEBI:83517 iooxitalamic acid CAS:28179-44-4 ChemIDplus CAS:28179-44-4 KEGG DRUG Drug_Central:4582 DrugCentral PMID:3320896 Europe PMC PMID:4052146 Europe PMC PMID:4645232 Europe PMC Reaxys:2903918 Reaxys 3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid IUPAC 5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid ChEBI acide ioxitalamique ChemIDplus acido ioxitalamico ChemIDplus acidum ioxitalamicum ChemIDplus ioxitalamic acid ChemIDplus A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. 0 C11H17Cl2NOS InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3 PORQOHRXAJJKGK-UHFFFAOYSA-N 282.23000 281.04079 CCCCCCCCn1sc(Cl)c(Cl)c1=O CAS:64359-81-5 PMID:24850171 Patent:NZ524752 Patent:US2010256204 Reaxys:1110842 4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one chebi_ontology DCOIT Kathon 930 dichlorooctylisothiazolinone CHEBI:83518 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone CAS:64359-81-5 ChemIDplus PMID:24850171 Europe PMC Reaxys:1110842 Reaxys 4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one IUPAC DCOIT ChEBI Kathon 930 ChemIDplus dichlorooctylisothiazolinone ChEBI A racemate composed of equimolar amounts of (R)- and (S)-sebuthylazine. It is an agrochemical used as a herbicide. CAS:7286-69-3 PMID:10817363 PMID:12487314 PMID:19288539 PMID:24141237 PMID:24696214 Pesticides:sebuthylazine Reaxys:650331 rac-N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine chebi_ontology (RS)-N(2)-sec-butyl-6-chloro-N(4)-ethyl-1,3,5-triazine-2,4-diamine 2-(sec-butylamino)-4-chloro-6-(ethylamino)-s-triazine 6-chloro-N-ethyl-N'-(1-methylpropyl)-1,3,5-triazine-2,4-diamine sebutylazine CHEBI:83521 sebuthylazine CAS:7286-69-3 ChemIDplus CAS:7286-69-3 NIST Chemistry WebBook PMID:10817363 Europe PMC PMID:12487314 Europe PMC PMID:19288539 Europe PMC PMID:24141237 Europe PMC PMID:24696214 Europe PMC Pesticides:sebuthylazine Alan Wood's Pesticides Reaxys:650331 Reaxys rac-N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine IUPAC (RS)-N(2)-sec-butyl-6-chloro-N(4)-ethyl-1,3,5-triazine-2,4-diamine Alan_Wood's_Pesticides 2-(sec-butylamino)-4-chloro-6-(ethylamino)-s-triazine ChemIDplus 6-chloro-N-ethyl-N'-(1-methylpropyl)-1,3,5-triazine-2,4-diamine Alan_Wood's_Pesticides sebutylazine NIST_Chemistry_WebBook A monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a 2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide. 0 C16H22ClNO2 InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3 CSWIKHNSBZVWNQ-UHFFFAOYSA-N 295.80400 295.13391 CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 CAS:106700-29-2 PPDB:1011 Patent:EP1315420 Patent:WO0217719 Pesticides:pethoxamid Reaxys:4873772 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamide chebi_ontology pethoxamid CHEBI:83523 pethoxamide CAS:106700-29-2 ChemIDplus Pesticides:pethoxamid Alan Wood's Pesticides Reaxys:4873772 Reaxys 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamide IUPAC pethoxamid ChemIDplus A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops. 0 C23H32N2O4 InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3 MGOHCFMYLBAPRN-UHFFFAOYSA-N 400.51120 400.23621 CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=O CAS:243973-20-8 PMID:24485310 PMID:24759052 PMID:26449612 PPDB:528 Pesticides:pinoxaden Reaxys:11330254 8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate chebi_ontology 8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropionate CHEBI:83524 pinoxaden CAS:243973-20-8 ChemIDplus PMID:24485310 Europe PMC PMID:24759052 Europe PMC PMID:26449612 Europe PMC Pesticides:pinoxaden Alan Wood's Pesticides Reaxys:11330254 Reaxys 8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate IUPAC 8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropionate Alan_Wood's_Pesticides A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. 0 C13H17ClN2O2 InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) YHXISWVBGDMDLQ-UHFFFAOYSA-N 268.73900 268.09786 Clc1ccc(cc1)C(=O)NCCN1CCOCC1 CAS:71320-77-9 DrugBank:DB01171 Drug_Central:1825 HMDB:HMDB0015302 KEGG:D02561 LINCS:LSM-5247 PMID:23616181 PMID:24859491 PMID:24863864 PMID:25335956 Reaxys:530974 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide chebi_ontology moclobemida moclobemide moclobemidum CHEBI:83531 moclobemide CAS:71320-77-9 ChemIDplus CAS:71320-77-9 KEGG DRUG CAS:71320-77-9 NIST Chemistry WebBook Drug_Central:1825 DrugCentral PMID:23616181 Europe PMC PMID:24859491 Europe PMC PMID:24863864 Europe PMC PMID:25335956 Europe PMC Reaxys:530974 Reaxys 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide IUPAC moclobemida ChemIDplus moclobemide ChemIDplus moclobemidum ChemIDplus A member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. 0 C28H36O15 InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 ITVGXXMINPYUHD-CUVHLRMHSA-N 612.57640 612.20542 COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O CAS:20702-77-6 HMDB:HMDB0030542 PMID:23562496 PMID:24274324 PMID:24530446 Patent:KR20110088743 Patent:WO2011066754 Reaxys:4285336 Wikipedia:Neohesperidin_dihydrochalcone 3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chebi_ontology CHEBI:83535 neohesperidin dihydrochalcone CAS:20702-77-6 ChemIDplus PMID:23562496 Europe PMC PMID:24274324 Europe PMC PMID:24530446 Europe PMC Reaxys:4285336 Reaxys 3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside IUPAC A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. 0 C11H13F3N2 InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2 KKIMDKMETPPURN-UHFFFAOYSA-N 230.230 230.10308 C1=C(C(F)(F)F)C=CC=C1N2CCNCC2 CAS:15532-75-9 LINCS:LSM-24939 PMID:23890650 PMID:24547667 PMID:24810679 PMID:24968061 Reaxys:614217 Wikipedia:Trifluoromethylphenylpiperazine 1-[3-(trifluoromethyl)phenyl]piperazine chebi_ontology 1-(m-trifluoromethylphenyl)piperazine 3-trifluoromethylphenylpiperazine N-(alpha,alpha,alpha-trifluoro-3-tolyl)piperazine TFMPP CHEBI:83536 1-(3-(trifluoromethyl)phenyl)piperazine CAS:15532-75-9 ChemIDplus CAS:15532-75-9 NIST Chemistry WebBook PMID:23890650 Europe PMC PMID:24547667 Europe PMC PMID:24810679 Europe PMC PMID:24968061 Europe PMC Reaxys:614217 Reaxys 1-[3-(trifluoromethyl)phenyl]piperazine IUPAC 1-(m-trifluoromethylphenyl)piperazine ChemIDplus 3-trifluoromethylphenylpiperazine ChEBI N-(alpha,alpha,alpha-trifluoro-3-tolyl)piperazine NIST_Chemistry_WebBook TFMPP ChEBI A tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug. 0 C11H16N2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N 176.25810 176.13135 C(N1CCNCC1)c1ccccc1 CAS:2759-28-6 PMID:23685794 PMID:24486525 Reaxys:141624 Wikipedia:Benzylpiperazine 1-benzylpiperazine chebi_ontology BZP Benzylpiperazine N-Benzylpiperazine CHEBI:83537 1-benzylpiperazine CAS:2759-28-6 ChemIDplus CAS:2759-28-6 NIST Chemistry WebBook PMID:23685794 Europe PMC PMID:24486525 Europe PMC Reaxys:141624 Reaxys 1-benzylpiperazine IUPAC BZP NIST_Chemistry_WebBook Benzylpiperazine ChemIDplus N-Benzylpiperazine ChemIDplus A dialkyl phosphate in which the alkyl group specified is perfluorooctyl. 0 C16H9F26O4P InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44) ZDYYWMSLMLTXDM-UHFFFAOYSA-N 790.17250 789.98233 OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:57677-95-9 Reaxys:10634221 bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate chebi_ontology CHEBI:83539 bisperfluorooctyl phosphate CAS:57677-95-9 ChemIDplus Reaxys:10634221 Reaxys bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate IUPAC A dialkyl phosphate in which the alkyl group specified is perfluorodecyl. 0 C20H9F34O4P InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56) AFWOYEYXUDHGHF-UHFFFAOYSA-N 990.20250 989.96955 OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:678-41-1 Reaxys:11121026 bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate chebi_ontology CHEBI:83540 bisperfluorodecyl phosphate CAS:678-41-1 ChemIDplus Reaxys:11121026 Reaxys bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate IUPAC A monoalkyl phosphate in which the alkyl group specified is perfluorodecyl. 0 C10H6F17O4P InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30) MIABSAQIFYEDJP-UHFFFAOYSA-N 544.09890 543.97322 OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Reaxys:11121027 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate chebi_ontology CHEBI:83541 perfluorodecyl phosphate Reaxys:11121027 Reaxys 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate IUPAC Any alkane having a chain length of at least 13 carbon atoms. 0 HR 1.008 1.00783 *[H] chebi_ontology a long-chain alkane CHEBI:83563 long-chain alkane a long-chain alkane UniProt An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens. chebi_ontology CHEBI:83565 (trifluoromethyl)benzenes A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. 0 C13H19N3O4 InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 CHIFOSRWCNZCFN-UHFFFAOYSA-N 281.30770 281.13756 CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O CHEBI:7958 CAS:40487-42-1 KEGG:C11019 PMID:22983723 PMID:23646829 PMID:24007481 PMID:24183287 PMID:24240661 PMID:24293324 PMID:24587520 PMID:24688423 PMID:25145238 PMID:25398239 PPDB:511 Pesticides:pendimethalin Reaxys:2157711 Wikipedia:Pendimethalin 3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline chebi_ontology 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline Penoxalin Penoxaline Penoxyn Phenoxalin pendimethaline CHEBI:83569 pendimethalin CAS:40487-42-1 ChemIDplus CAS:40487-42-1 KEGG COMPOUND CAS:40487-42-1 NIST Chemistry WebBook PMID:22983723 Europe PMC PMID:23646829 Europe PMC PMID:24007481 Europe PMC PMID:24183287 Europe PMC PMID:24240661 Europe PMC PMID:24293324 Europe PMC PMID:24587520 Europe PMC PMID:24688423 Europe PMC PMID:25145238 Europe PMC PMID:25398239 Europe PMC Pesticides:pendimethalin Alan Wood's Pesticides Reaxys:2157711 Reaxys 3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline IUPAC 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline ChemIDplus N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine NIST_Chemistry_WebBook N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline ChemIDplus N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine ChemIDplus N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline ChemIDplus Penoxalin ChemIDplus Penoxaline ChemIDplus Penoxyn ChemIDplus Phenoxalin ChemIDplus pendimethaline ChemIDplus An N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant. 0 C14H15N5O6S InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21) BQZXUHDXIARLEO-UHFFFAOYSA-N 381.365 381.07430 C1(=NC(C)=NC(OC)=N1)N(C(=O)NS(C=2C(C(O)=O)=CC=CC2)(=O)=O)C CHEBI:82046 CAS:106040-48-6 KEGG:C18900 PPDB:1556 Pesticides:tribenuron Reaxys:8348441 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid chebi_ontology CHEBI:83571 tribenuron CAS:106040-48-6 ChemIDplus CAS:106040-48-6 KEGG COMPOUND Pesticides:tribenuron Alan Wood's Pesticides Reaxys:8348441 Reaxys 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid IUPAC Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent. monofluorobenzenes chebi_ontology CHEBI:83575 monofluorobenzenes monofluorobenzenes ChEBI Any member of the class of fluorobenzenes carrying three fluorine substituents at unspecified positions. chebi_ontology trifluorobenzenes CHEBI:83576 trifluorobenzene trifluorobenzenes ChEBI The stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1R)-1-(p-tolyl)ethylamine. 0 C18H28N2O3 InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1 NWUWYYSKZYIQAE-ZBFHGGJFSA-N 320.42650 320.20999 CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 isopropyl [(2S)-3-methyl-1-{[(1R)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate chebi_ontology CHEBI:83590 L-(R)-iprovalicarb isopropyl [(2S)-3-methyl-1-{[(1R)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate IUPAC The stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1S)-1-(p-tolyl)ethylamine. 0 C18H28N2O3 InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14-,16-/m0/s1 NWUWYYSKZYIQAE-HOCLYGCPSA-N 320.42650 320.20999 CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 isopropyl [(2S)-3-methyl-1-{[(1S)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate chebi_ontology CHEBI:83591 L-(S)-iprovalicarb isopropyl [(2S)-3-methyl-1-{[(1S)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate IUPAC A carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the alpha-amino group has been converted to the corresponding isopropyl carbamate. 0 C18H28N2O3 InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22) NWUWYYSKZYIQAE-UHFFFAOYSA-N 320.42650 320.20999 CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1 Reaxys:11343634 isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate chebi_ontology CHEBI:83593 isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate Reaxys:11343634 Reaxys isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate IUPAC A monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2. 0 C15H12F3NO4 InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21) YUVKUEAFAVKILW-UHFFFAOYSA-N 327.256 327.07184 C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(O)=O)C)C(F)(F)F 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid chebi_ontology CHEBI:83598 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid IUPAC A 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the active enantiomer of the herbicide fluazifop and is the major metabolite of fluazifop-P-butyl. 0 C15H12F3NO4 InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1 YUVKUEAFAVKILW-SECBINFHSA-N 327.256 327.07184 C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(O)=O)C)C(F)(F)F AGR:IND20390341 AGR:IND20565494 AGR:IND20581162 AGR:IND21992457 AGR:IND22000227 AGR:IND22296775 AGR:IND23223208 AGR:IND43901152 AGR:IND601311753 CAS:83066-88-0 PPDB:813 Pesticides:fluazifop-p Reaxys:8852807 (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid chebi_ontology (+)-(R)-fluazifop (+)-fluazifop (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid (R)-(+)-fluazifop (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid (R)-fluazifop CHEBI:83599 fluazifop-P AGR:IND20390341 Europe PMC AGR:IND20565494 Europe PMC AGR:IND20581162 Europe PMC AGR:IND21992457 Europe PMC AGR:IND22000227 Europe PMC AGR:IND22296775 Europe PMC AGR:IND23223208 Europe PMC AGR:IND43901152 Europe PMC AGR:IND601311753 Europe PMC CAS:83066-88-0 Alan Wood's Pesticides CAS:83066-88-0 ChemIDplus Pesticides:fluazifop-p Alan Wood's Pesticides Reaxys:8852807 Reaxys (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid IUPAC (+)-(R)-fluazifop ChEBI (+)-fluazifop ChEBI (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid Alan_Wood's_Pesticides (R)-(+)-fluazifop ChEBI (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid Alan_Wood's_Pesticides (R)-fluazifop ChEBI The (S)-enantiomer of 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid. It is the inactive enantiomer of the racemic herbicide fluazifop. 0 C15H12F3NO4 InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m0/s1 YUVKUEAFAVKILW-VIFPVBQESA-N 327.256 327.07184 C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@H](C(O)=O)C)C(F)(F)F (2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid chebi_ontology CHEBI:83600 (S)-fluazifop (2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid IUPAC A carboxamide obtained by the formal condensation of the carboxy group of any carboxylic acid with ammonia. 0 CH2NOR 44.033 44.01364 NC([*])=O chebi_ontology a monocarboxylic acid amide CHEBI:83628 N-acylammonia a monocarboxylic acid amide UniProt A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2. 0 C10H12N2O5 InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3 OWZPCEFYPSAJFR-UHFFFAOYSA-N 240.21270 240.07462 CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O PPDB:251 2-(butan-2-yl)-4,6-dinitrophenol chebi_ontology CHEBI:83632 2-(butan-2-yl)-4,6-dinitrophenol 2-(butan-2-yl)-4,6-dinitrophenol IUPAC The (R)-enantiomer of 2-(butan-2-yl)-4,6-dinitrophenol. 0 C10H12N2O5 InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3/t6-/m1/s1 OWZPCEFYPSAJFR-ZCFIWIBFSA-N 240.21270 240.07462 CC[C@@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Reaxys:3211810 2-[(2R)-butan-2-yl]-4,6-dinitrophenol chebi_ontology CHEBI:83633 (R)-dinoseb Reaxys:3211810 Reaxys 2-[(2R)-butan-2-yl]-4,6-dinitrophenol IUPAC The (S)-enantiomer of 2-(butan-2-yl)-4,6-dinitrophenol. 0 C10H12N2O5 InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3/t6-/m0/s1 OWZPCEFYPSAJFR-LURJTMIESA-N 240.21270 240.07462 CC[C@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Reaxys:3211811 2-[(2S)-butan-2-yl]-4,6-dinitrophenol chebi_ontology CHEBI:83636 (S)-dinoseb Reaxys:3211811 Reaxys 2-[(2S)-butan-2-yl]-4,6-dinitrophenol IUPAC An organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom. 0 C12H18ClNO2S InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3 JLYFCTQDENRSOL-UHFFFAOYSA-N 275.79500 275.07468 COCC(C)N(C(=O)CCl)c1c(C)csc1C PPDB:240 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide chebi_ontology CHEBI:83638 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide IUPAC A 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide that has R configuration. It is the inactive enantiomer; its (active) enantiomer is the herbicide known as dimethenamid-P; the racemate is the herbicide dimethenamid. 0 C12H18ClNO2S InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m1/s1 JLYFCTQDENRSOL-SECBINFHSA-N 275.79500 275.07468 COC[C@@H](C)N(C(=O)CCl)c1c(C)csc1C CAS:163515-13-7 Reaxys:8319838 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide chebi_ontology (-)-dimethenamid CHEBI:83639 (R)-dimethenamid CAS:163515-13-7 ChEBI Reaxys:8319838 Reaxys 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide IUPAC (-)-dimethenamid ChEBI The (S)-enantiomer of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide. It is the active enantiomer of dimethenamid, a herbicide applied to the soil to control various broad-leaved weeds and grasses. 0 C12H18ClNO2S InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1 JLYFCTQDENRSOL-VIFPVBQESA-N 275.79500 275.07468 COC[C@H](C)N(C(=O)CCl)c1c(C)csc1C CAS:163515-14-8 PPDB:241 Pesticides:dimethenamid-p Reaxys:8319839 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide chebi_ontology (+)-dimethenamid (S)-dimethenamid CHEBI:83640 dimethenamid-P CAS:163515-14-8 Alan Wood's Pesticides CAS:163515-14-8 ChemIDplus Pesticides:dimethenamid-p Alan Wood's Pesticides Reaxys:8319839 Reaxys 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide IUPAC (+)-dimethenamid ChEBI (S)-dimethenamid ChEBI An organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom. 0 C15H22ClNO2 InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3 WVQBLGZPHOPPFO-UHFFFAOYSA-N 283.79400 283.13391 CCc1cccc(C)c1N(C(C)COC)C(=O)CCl LINCS:LSM-4435 PPDB:465 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide chebi_ontology CHEBI:83645 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide IUPAC The (R)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide. 0 C15H22ClNO2 InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m1/s1 WVQBLGZPHOPPFO-GFCCVEGCSA-N 283.79400 283.13391 CCc1cccc(C)c1N([C@H](C)COC)C(=O)CCl CAS:178961-20-1 Pesticides:s-metolachlor Reaxys:5380713 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide chebi_ontology CHEBI:83646 (R)-metolachlor CAS:178961-20-1 ChemIDplus Pesticides:s-metolachlor Alan Wood's Pesticides Reaxys:5380713 Reaxys 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide IUPAC The (S)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide. 0 C15H22ClNO2 InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1 WVQBLGZPHOPPFO-LBPRGKRZSA-N 283.79400 283.13391 CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl CAS:87392-12-9 PPDB:1027 Pesticides:s-metolachlor Reaxys:6483536 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide chebi_ontology CHEBI:83647 (S)-metolachlor CAS:87392-12-9 ChemIDplus Pesticides:s-metolachlor Alan Wood's Pesticides Reaxys:6483536 Reaxys 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide IUPAC A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6. 0 C9H13BrN2O2 InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14) CTSLUCNDVMMDHG-UHFFFAOYSA-N 261.11600 260.01604 CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O PPDB:88 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione chebi_ontology CHEBI:83658 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione IUPAC The (R)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione. 0 C9H13BrN2O2 InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/t5-/m1/s1 CTSLUCNDVMMDHG-RXMQYKEDSA-N 261.11600 260.01604 CC[C@@H](C)n1c(=O)[nH]c(C)c(Br)c1=O 5-bromo-3-[(2R)-butan-2-yl]-6-methylpyrimidine-2,4(1H,3H)-dione chebi_ontology CHEBI:83659 (R)-bromacil 5-bromo-3-[(2R)-butan-2-yl]-6-methylpyrimidine-2,4(1H,3H)-dione IUPAC The (S)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione. 0 C9H13BrN2O2 InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/t5-/m0/s1 CTSLUCNDVMMDHG-YFKPBYRVSA-N 261.11600 260.01604 CC[C@H](C)n1c(=O)[nH]c(C)c(Br)c1=O 5-bromo-3-[(2S)-butan-2-yl]-6-methylpyrimidine-2,4(1H,3H)-dione chebi_ontology CHEBI:83660 (S)-bromacil 5-bromo-3-[(2S)-butan-2-yl]-6-methylpyrimidine-2,4(1H,3H)-dione IUPAC A member of the class of pyrimidines that is pyrimidin-5-ylmethanol in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 2-chlorophenyl group while the other is replaced by a 4-chlorophenyl group. 0 C17H12Cl2N2O InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H NHOWDZOIZKMVAI-UHFFFAOYSA-N 331.19600 330.03267 OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl PPDB:291 (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol chebi_ontology CHEBI:83686 (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol IUPAC A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has R configuration. 0 C17H12Cl2N2O InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H/t17-/m1/s1 NHOWDZOIZKMVAI-QGZVFWFLSA-N 331.19600 330.03267 O[C@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl PMID:22955670 (R)-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol chebi_ontology CHEBI:83688 (R)-fenarimol PMID:22955670 Europe PMC (R)-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol IUPAC A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has S configuration. 0 C17H12Cl2N2O InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H/t17-/m0/s1 NHOWDZOIZKMVAI-KRWDZBQOSA-N 331.19600 330.03267 O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl PMID:22955670 (S)-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol chebi_ontology CHEBI:83689 (S)-fenarimol PMID:22955670 Europe PMC (S)-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol IUPAC A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3. 0 C15H17ClN2O2 InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3 OWEGWHBOCFMBLP-UHFFFAOYSA-N 292.761 292.09786 C(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C PPDB:2454 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one chebi_ontology CHEBI:83719 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one IUPAC The (R)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one. 0 C15H17ClN2O2 InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m1/s1 OWEGWHBOCFMBLP-CQSZACIVSA-N 292.761 292.09786 C(C(=O)[C@H](N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C (1R)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one chebi_ontology CHEBI:83720 (R)-climbazole (1R)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one IUPAC The (S)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one. 0 C15H17ClN2O2 InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1 OWEGWHBOCFMBLP-AWEZNQCLSA-N 292.761 292.09786 C(C(=O)[C@@H](N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C (1S)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one chebi_ontology CHEBI:83722 (S)-climbazole (1S)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one IUPAC A nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups. 0 C15H17ClN4 InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3 HZJKXKUJVSEEFU-UHFFFAOYSA-N 288.77500 288.11417 CCCCC(Cn1cncn1)(C#N)c1ccc(Cl)cc1 PPDB:478 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile chebi_ontology CHEBI:83729 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has R configuration. 0 C15H17ClN4 InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3/t15-/m0/s1 HZJKXKUJVSEEFU-HNNXBMFYSA-N 288.77500 288.11417 CCCC[C@@](Cn1cncn1)(C#N)c1ccc(Cl)cc1 PMID:21967215 PMID:22288843 PMID:23939881 PMID:24014248 PMID:25043148 Reaxys:24694089 (2R)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile chebi_ontology (+)-myclobutanil (R)-(+)-myclobutanil CHEBI:83730 (R)-myclobutanil PMID:21967215 Europe PMC PMID:22288843 Europe PMC PMID:23939881 Europe PMC PMID:24014248 Europe PMC PMID:25043148 Europe PMC Reaxys:24694089 Reaxys (2R)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC (+)-myclobutanil ChEBI (R)-(+)-myclobutanil ChEBI A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has S configuration. 0 C15H17ClN4 InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3/t15-/m1/s1 HZJKXKUJVSEEFU-OAHLLOKOSA-N 288.77500 288.11417 CCCC[C@](Cn1cncn1)(C#N)c1ccc(Cl)cc1 PMID:21967215 PMID:22288843 PMID:23939881 PMID:24014248 PMID:25043148 Reaxys:9059355 (2S)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile chebi_ontology (-)-myclobutanil (S)-(-)-myclobutanil CHEBI:83731 (S)-myclobutanil PMID:21967215 Europe PMC PMID:22288843 Europe PMC PMID:23939881 Europe PMC PMID:24014248 Europe PMC PMID:25043148 Europe PMC Reaxys:9059355 Reaxys (2S)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC (-)-myclobutanil ChEBI (S)-(-)-myclobutanil ChEBI A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group. 0 C12H9Cl2NO3 InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3 FSCWZHGZWWDELK-UHFFFAOYSA-N 286.11100 284.99595 CC1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C PPDB:680 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione chebi_ontology CHEBI:83732 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione IUPAC A 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione that is the (R)-enantiomer of vinclozolin. 0 C12H9Cl2NO3 InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3/t12-/m1/s1 FSCWZHGZWWDELK-GFCCVEGCSA-N 286.11100 284.99595 C[C@@]1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C Reaxys:8626241 (5R)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione chebi_ontology CHEBI:83733 (R)-vinclozolin Reaxys:8626241 Reaxys (5R)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione IUPAC A sterol biosynthesis inhibitor that acts by inhibiting the C14 demethylation step within fungal steroid biosynthesis. chebi_ontology sterol demethylation inhibitors CHEBI:83734 sterol demethylation inhibitor sterol demethylation inhibitors ChEBI A 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione that is the (S)-enantiomer of vinclozolin. 0 C12H9Cl2NO3 InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3/t12-/m0/s1 FSCWZHGZWWDELK-LBPRGKRZSA-N 286.11100 284.99595 C[C@]1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C (5S)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione chebi_ontology CHEBI:83735 (S)-vinclozolin (5S)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione IUPAC Any compound that inhibits the biosynthesis of any phospholipid. chebi_ontology phospholipid biosynthesis inhibitors CHEBI:83741 phospholipid biosynthesis inhibitor phospholipid biosynthesis inhibitors ChEBI A pyridinemonocarboxylic acid that is nicotinic acid which is substituted substituted at position 5 by a methoxymethyl group and at position 2 by a 4,5-dihydro-1H-imidazol-2-yl group, that in turn is substituted by isopropyl, methyl, and oxo groups at positions 4, 4, and 5, respectively. 0 C15H19N3O4 InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21) NUPJIGQFXCQJBK-UHFFFAOYSA-N 305.330 305.13756 C1(=NC=C(C=C1C(=O)O)COC)C2=NC(C(N2)(C)C(C)C)=O PPDB:392 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid chebi_ontology 5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid CHEBI:83742 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid IUPAC 5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid IUPAC The (S)-enantiomer of 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid. 0 C15H19N3O4 InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m0/s1 NUPJIGQFXCQJBK-HNNXBMFYSA-N 305.330 305.13756 C1(=NC=C(C=C1C(=O)O)COC)C=2NC([C@](N2)(C)C(C)C)=O PMID:26508428 Reaxys:9277755 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinic acid chebi_ontology 2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid 5-(methoxymethyl)-2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid CHEBI:83743 (S)-imazamox PMID:26508428 Europe PMC Reaxys:9277755 Reaxys 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinic acid IUPAC 2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid ChEBI 5-(methoxymethyl)-2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid IUPAC The (R)-enantiomer of 5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid. 0 C15H19N3O4 InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m1/s1 NUPJIGQFXCQJBK-OAHLLOKOSA-N 305.330 305.13756 C1(=NC=C(C=C1C(=O)O)COC)C2=NC([C@@](N2)(C)C(C)C)=O PMID:26508428 Reaxys:9277756 2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinic acid chebi_ontology 2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid 5-(methoxymethyl)-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid CHEBI:83744 (R)-imazamox PMID:26508428 Europe PMC Reaxys:9277756 Reaxys 2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinic acid IUPAC 2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid ChEBI 5-(methoxymethyl)-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid IUPAC A tertiary alcohol that is butan-2-ol substituted by a 4-chlorophenyl group at position 2, a cyclopropyl group at position 3 and a 1H-1,2,4-triazol-1-yl group at position 1. 0 C15H18ClN3O InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3 UFNOUKDBUJZYDE-UHFFFAOYSA-N 291.77600 291.11384 CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1 PPDB:198 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chebi_ontology CHEBI:83748 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC The (2R,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol. 0 C15H18ClN3O InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15+/m0/s1 UFNOUKDBUJZYDE-XHDPSFHLSA-N 291.77600 291.11384 C[C@@H](C1CC1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 (2R,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chebi_ontology CHEBI:83749 (2R,3S)-cyproconazole (2R,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC The (2S,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol. 0 C15H18ClN3O InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15-/m0/s1 UFNOUKDBUJZYDE-NHYWBVRUSA-N 291.77600 291.11384 C[C@@H](C1CC1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 (2S,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chebi_ontology CHEBI:83750 (2S,3S)-cyproconazole (2S,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC The (2S,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol. 0 C15H18ClN3O InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15+/m1/s1 UFNOUKDBUJZYDE-ABAIWWIYSA-N 291.77600 291.11384 C[C@H](C1CC1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 (2S,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chebi_ontology CHEBI:83752 (2S,3R)-cyproconazole (2S,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC The (2R,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol. 0 C15H18ClN3O InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15-/m1/s1 UFNOUKDBUJZYDE-IAQYHMDHSA-N 291.77600 291.11384 C[C@H](C1CC1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 (2R,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol chebi_ontology CHEBI:83753 (2R,3R)-cyproconazole (2R,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC An epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups. 0 C17H13ClFN3O InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2 ZMYFCFLJBGAQRS-UHFFFAOYSA-N 329.75600 329.07312 Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole chebi_ontology CHEBI:83758 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole IUPAC The (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. 0 C17H13ClFN3O InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1 ZMYFCFLJBGAQRS-IAGOWNOFSA-N 329.75600 329.07312 Fc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@@H]1c1ccccc1Cl KEGG:C11229 1-{[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole chebi_ontology CHEBI:83759 (2S,3R)-epoxiconazole 1-{[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole IUPAC The (2R,3S)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. 0 C17H13ClFN3O InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m0/s1 ZMYFCFLJBGAQRS-IRXDYDNUSA-N 329.75600 329.07312 Fc1ccc(cc1)[C@]1(Cn2cncn2)O[C@H]1c1ccccc1Cl 1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole chebi_ontology CHEBI:83761 (2R,3S)-epoxiconazole 1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole IUPAC A methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group. 0 C13H18O5S InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3 IRCMYGHHKLLGHV-UHFFFAOYSA-N 286.34400 286.08749 CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C PPDB:278 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate chebi_ontology CHEBI:83768 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate IUPAC The (S)-enantiomer of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate. 0 C13H18O5S InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m0/s1 IRCMYGHHKLLGHV-LBPRGKRZSA-N 286.34400 286.08749 CCO[C@H]1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C Reaxys:22877082 (2S)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate chebi_ontology CHEBI:83769 (S)-ethofumesate Reaxys:22877082 Reaxys (2S)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate IUPAC The (R)-enantiomer of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate. 0 C13H18O5S InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m1/s1 IRCMYGHHKLLGHV-GFCCVEGCSA-N 286.34400 286.08749 CCO[C@@H]1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C Reaxys:22877081 chebi_ontology CHEBI:83770 (R)-ethofumesate Reaxys:22877081 Reaxys A monocarboxylic acid amide that is propanamide substituted by two ethyl groups at the nitrogen atom and a naphthalen-1-yloxy group at position 2. 0 C17H21NO2 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 WXZVAROIGSFCFJ-UHFFFAOYSA-N 271.35410 271.15723 CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 PPDB:481 N,N-diethyl-2-(naphthalen-1-yloxy)propanamide chebi_ontology CHEBI:83771 N,N-diethyl-2-(naphthalen-1-yloxy)propanamide N,N-diethyl-2-(naphthalen-1-yloxy)propanamide IUPAC The (R)-enantiomer of N,N-diethyl-2-(naphthalen-1-yloxy)propanamide. 0 C17H21NO2 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3/t13-/m1/s1 WXZVAROIGSFCFJ-CYBMUJFWSA-N 271.35410 271.15723 CCN(CC)C(=O)[C@@H](C)Oc1cccc2ccccc12 CAS:41643-35-0 PPDB:2666 Reaxys:26671113 (2R)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide chebi_ontology (-)-Napropamide (R)-Devrinol D-Napropamide napropamide-M CHEBI:83772 (R)-napropamide CAS:41643-35-0 ChemIDplus Reaxys:26671113 Reaxys (2R)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide IUPAC (-)-Napropamide ChemIDplus (R)-Devrinol ChemIDplus D-Napropamide ChemIDplus napropamide-M Alan_Wood's_Pesticides The (S)-enantiomer of N,N-diethyl-2-(naphthalen-1-yloxy)propanamide. 0 C17H21NO2 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3/t13-/m0/s1 WXZVAROIGSFCFJ-ZDUSSCGKSA-N 271.35410 271.15723 CCN(CC)C(=O)[C@H](C)Oc1cccc2ccccc12 Reaxys:26671114 (2S)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide chebi_ontology CHEBI:83773 (S)-napropamide Reaxys:26671114 Reaxys (2S)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide IUPAC A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively. 0 C16H22ClN3O InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3 PXMNMQRDXWABCY-UHFFFAOYSA-N 307.81800 307.14514 CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1 PPDB:610 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol chebi_ontology CHEBI:83779 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol IUPAC A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. 0 C21H28O5 InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 OIGNJSKKLXVSLS-VWUMJDOOSA-N 360.44400 360.19367 [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO Beilstein:1354103 CAS:50-24-8 DrugBank:DB00860 Drug_Central:2245 HMDB:HMDB0014998 KEGG:C07369 KEGG:D00472 PMID:11294518 PMID:23625982 PMID:24392764 Reaxys:1354103 VSDB:1848 Wikipedia:Prednisolone 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione chebi_ontology (11beta)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione 1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione 1,4-pregnadiene-3,20-dione-11beta,17alpha,21-triol 3,20-dioxo-11beta,17alpha,21-trihydroxy-1,4-pregnadiene Delta(1)-dehydrocortisol Delta(1)-dehydrohydrocortisone Delta(1)-hydrocortisone hydroretrocortine metacortandralone prednisolona prednisolone prednisolonum CHEBI:8378 prednisolone Beilstein:1354103 ChemIDplus CAS:50-24-8 ChemIDplus CAS:50-24-8 KEGG COMPOUND Drug_Central:2245 DrugCentral PMID:11294518 Europe PMC PMID:23625982 Europe PMC PMID:24392764 Europe PMC Reaxys:1354103 Reaxys 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione IUPAC (11beta)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione ChEBI 1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione ChemIDplus 1,4-pregnadiene-3,20-dione-11beta,17alpha,21-triol ChemIDplus 3,20-dioxo-11beta,17alpha,21-trihydroxy-1,4-pregnadiene ChemIDplus Delta(1)-dehydrocortisol ChemIDplus Delta(1)-dehydrohydrocortisone ChemIDplus Delta(1)-hydrocortisone ChemIDplus hydroretrocortine ChemIDplus metacortandralone ChemIDplus prednisolona ChemIDplus prednisolone ChemIDplus prednisolone WHO_MedNet prednisolonum ChemIDplus The (S)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol. 0 C16H22ClN3O InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1 PXMNMQRDXWABCY-MRXNPFEDSA-N 307.81800 307.14514 CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)Cn1cncn1 Reaxys:5749276 (3S)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol chebi_ontology CHEBI:83780 (S)-tebuconazole Reaxys:5749276 Reaxys (3S)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol IUPAC The (R)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol. 0 C16H22ClN3O InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1 PXMNMQRDXWABCY-INIZCTEOSA-N 307.81800 307.14514 CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)Cn1cncn1 Reaxys:5749275 (3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol chebi_ontology CHEBI:83781 (R)-tebuconazole Reaxys:5749275 Reaxys (3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol IUPAC A diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. 0 C10H19N5O InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15) ZJMZZNVGNSWOOM-UHFFFAOYSA-N 225.29080 225.15896 CCNc1nc(NC(C)CC)nc(OC)n1 PPDB:1203 N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine chebi_ontology CHEBI:83786 N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC The (R)-enantiomer of N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine. 0 C10H19N5O InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)/t7-/m1/s1 ZJMZZNVGNSWOOM-SSDOTTSWSA-N 225.29080 225.15896 CCNc1nc(N[C@H](C)CC)nc(OC)n1 N-[(2R)-butan-2-yl]-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine chebi_ontology CHEBI:83787 (R)-secbumeton N-[(2R)-butan-2-yl]-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC The (S)-enantiomer of N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine. 0 C10H19N5O InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)/t7-/m0/s1 ZJMZZNVGNSWOOM-ZETCQYMHSA-N 225.29080 225.15896 CCNc1nc(N[C@@H](C)CC)nc(OC)n1 N-[(2S)-butan-2-yl]-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine chebi_ontology CHEBI:83788 (S)-secbumeton N-[(2S)-butan-2-yl]-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine IUPAC A diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. 0 C9H16ClN5 InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15) BZRUVKZGXNSXMB-UHFFFAOYSA-N 229.71000 229.10942 CCNc1nc(Cl)nc(NC(C)CC)n1 PPDB:1533 N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine chebi_ontology CHEBI:83789 N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine IUPAC The (R)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine. 0 C9H16ClN5 InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1 BZRUVKZGXNSXMB-ZCFIWIBFSA-N 229.71000 229.10942 CCNc1nc(Cl)nc(N[C@H](C)CC)n1 Reaxys:4294505 N-[(2R)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine chebi_ontology CHEBI:83790 (R)-sebuthylazine Reaxys:4294505 Reaxys N-[(2R)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine IUPAC The (S)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine. 0 C9H16ClN5 InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)/t6-/m0/s1 BZRUVKZGXNSXMB-LURJTMIESA-N 229.71000 229.10942 CCNc1nc(Cl)nc(N[C@@H](C)CC)n1 CAS:109905-63-7 Reaxys:4294506 N-[(2S)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine chebi_ontology CHEBI:83791 (S)-sebuthylazine CAS:109905-63-7 ChemIDplus Reaxys:4294506 Reaxys N-[(2S)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine IUPAC Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom. chebi_ontology canonical amino acid derivative canonical amino acid derivatives canonical amino-acid derivative canonical amino-acid derivatives proteinogenic amino acid derivatives proteinogenic amino-acid derivative proteinogenic amino-acid derivatives CHEBI:83811 proteinogenic amino acid derivative canonical amino acid derivative ChEBI canonical amino acid derivatives ChEBI canonical amino-acid derivative ChEBI canonical amino-acid derivatives ChEBI proteinogenic amino acid derivatives ChEBI proteinogenic amino-acid derivative ChEBI proteinogenic amino-acid derivatives ChEBI Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom. chebi_ontology non-canonical amino acid derivative non-canonical amino-acid derivatives non-proteinogenic amino-acid derivatives CHEBI:83812 non-proteinogenic amino acid derivative non-canonical amino acid derivative ChEBI non-canonical amino-acid derivatives ChEBI non-proteinogenic amino-acid derivatives ChEBI Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration. Wikipedia:Proteinogenic_amino_acid chebi_ontology canonical amino acid canonical amino acids proteinogenic amino acids CHEBI:83813 proteinogenic amino acid canonical amino acid ChEBI canonical amino acids ChEBI proteinogenic amino acids ChEBI Any organofluorine compound that is a oligomer or telomer synthesised by telomerization (a chain transfer reaction to produce an oligomer of a limited size). They are generally used in fire-fighting foams, leather protectants, food packaging and stain resistants. Wikipedia:Fluorotelomer chebi_ontology fluorotelomers CHEBI:83814 fluorotelomer fluorotelomers ChEBI Any organonitrogen heterocyclic compound based on a morphinan skeleton. These are synthetic or semi-synthetic compounds that resemble the morphinane (opioid) alkaloids in their pharmacological effects. chebi_ontology morphinane-like compopunds CHEBI:83818 morphinane-like compound morphinane-like compopunds ChEBI Any amino-acid that is not naturally encoded in the genetic code of any organism. Wikipedia:Non-proteinogenic_amino_acids chebi_ontology non-canonical amino acid non-canonical amino acids non-canonical amino-acid non-canonical amino-acids non-coded amino acid non-coded amino acids non-coded amino-acid non-coded amino-acids non-proteinogenic amino acids non-proteinogenic amino-acid non-proteinogenic amino-acids CHEBI:83820 non-proteinogenic amino acid non-canonical amino acid ChEBI non-canonical amino acids ChEBI non-canonical amino-acid ChEBI non-canonical amino-acids ChEBI non-coded amino acid ChEBI non-coded amino acids ChEBI non-coded amino-acid ChEBI non-coded amino-acids ChEBI non-proteinogenic amino acids ChEBI non-proteinogenic amino-acid ChEBI non-proteinogenic amino-acids ChEBI Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues. CHEBI:25359 chebi_ontology amino acid derivatives modified amino acids CHEBI:83821 amino acid derivative amino acid derivatives ChEBI modified amino acids ChEBI Any L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids. chebi_ontology non-proteinogenic L-alpha-amino acids CHEBI:83822 non-proteinogenic L-alpha-amino acid non-proteinogenic L-alpha-amino acids ChEBI A proteinogenic amino acid derivative resulting from the formal reaction of L-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of L-cysteine by a heteroatom. chebi_ontology L-cysteine derivatives CHEBI:83824 L-cysteine derivative L-cysteine derivatives ChEBI A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group. 0 C14H14Cl2N2O InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2 PZBPKYOVPCNPJY-UHFFFAOYSA-N 297.18000 296.04832 Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1 LINCS:LSM-4333 PPDB:390 VSDB:390 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole chebi_ontology CHEBI:83829 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole IUPAC A 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole that is the (S)-enantiomer of enilconazole 0 C14H14Cl2N2O InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m1/s1 PZBPKYOVPCNPJY-CQSZACIVSA-N 297.18000 296.04832 Clc1ccc([C@@H](Cn2ccnc2)OCC=C)c(Cl)c1 CAS:166734-82-3 Reaxys:15398137 1-[(2S)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole chebi_ontology (+)-enilconazole (+)-imazalil (S)-imazalil CHEBI:83830 (S)-enilconazole CAS:166734-82-3 ChemIDplus Reaxys:15398137 Reaxys 1-[(2S)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole IUPAC (+)-enilconazole ChEBI (+)-imazalil ChEBI (S)-imazalil ChEBI A 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole that is the (R)-enantiomer of enilconazole. 0 C14H14Cl2N2O InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m0/s1 PZBPKYOVPCNPJY-AWEZNQCLSA-N 297.18000 296.04832 Clc1ccc([C@H](Cn2ccnc2)OCC=C)c(Cl)c1 CAS:166734-81-2 Reaxys:15398138 1-[(2R)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole chebi_ontology (-)-enilconazole (-)-imazalil (R)-imazalil CHEBI:83831 (R)-enilconazole CAS:166734-81-2 ChemIDplus Reaxys:15398138 Reaxys 1-[(2R)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole IUPAC (-)-enilconazole ChEBI (-)-imazalil ChEBI (R)-imazalil ChEBI 0 C21H36 InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1 JWMFYGXQPXQEEM-WZBAXQLOSA-N 288.51054 288.28170 [H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CCC4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C LIPID_MAPS_instance:LMST02030000 Wikipedia:Pregnane pregnane chebi_ontology CHEBI:8386 pregnane LIPID_MAPS_instance:LMST02030000 LIPID MAPS pregnane IUPAC 0 C18H21O5S.Na InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1 VUCAHVBMSFIGAI-ZFINNJDLSA-M 372.41211 372.10074 [Na+].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21 Beilstein:3835414 CAS:438-67-5 DrugBank:DB00286 KEGG:D00312 Estrone sodium sulfate sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate chebi_ontology 17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate Estrogenic substances (conjugated) Estrone sulfate sodium Estrone-3-sulfate sodium salt Oestrone-3-sulphate sodium salt Premarin Sodium estrone 3-sulfate CHEBI:8389 estrone sodium sulfate Beilstein:3835414 Beilstein CAS:438-67-5 ChemIDplus Estrone sodium sulfate ChemIDplus sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate IUPAC 17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate ChemIDplus Estrogenic substances (conjugated) ChemIDplus Estrone sulfate sodium ChEBI Estrone-3-sulfate sodium salt ChemIDplus Oestrone-3-sulphate sodium salt ChemIDplus Premarin DrugBank Sodium estrone 3-sulfate ChemIDplus Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids. chebi_ontology non-proteinogenic alpha-amino acids non-proteinogenic alpha-amino-acid non-proteinogenic alpha-amino-acids CHEBI:83925 non-proteinogenic alpha-amino acid non-proteinogenic alpha-amino acids ChEBI non-proteinogenic alpha-amino-acid ChEBI non-proteinogenic alpha-amino-acids ChEBI A proteinogenic amino acid derivative resulting from reaction of L-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-alanine by a heteroatom. chebi_ontology L-alanine derivatives CHEBI:83943 L-alanine derivative L-alanine derivatives ChEBI A non-proteinogenic amino acid derivative resulting from reaction of D-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-alanine by a heteroatom. chebi_ontology D-alanine derivatives CHEBI:83944 D-alanine derivative D-alanine derivatives ChEBI A fatty acid anion obtained by deprotonation of the carboxy group of any 2-saturated fatty acid. -1 C2H2O2R 58.036 58.00548 [O-]C(=O)C[*] chebi_ontology 1,2-saturated fatty acid anion a 1,2-saturated fatty acid CHEBI:83955 2-saturated fatty acid anion 1,2-saturated fatty acid anion ChEBI a 1,2-saturated fatty acid UniProt Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles. Wikipedia:Cardiac_glycoside chebi_ontology cardiac glycosides CHEBI:83970 cardiac glycoside cardiac glycosides ChEBI A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3. -1 C4H6O2R 86.089 86.03678 CC([*])CC([O-])=O chebi_ontology 3-methyl fatty acid 3-methyl-branched fatty acid anion 3-methyl-branched fatty acid(1-) CHEBI:83972 3-methyl fatty acid anion 3-methyl fatty acid UniProt 3-methyl-branched fatty acid anion ChEBI 3-methyl-branched fatty acid(1-) SUBMITTER A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 2-methyl fatty acid; major species at pH 7.3. -1 C3H4O2R 72.063 72.02113 CC([*])C([O-])=O chebi_ontology 2-methyl fatty acid(1-) 2-methyl-branched fatty acid anion 2-methyl-branched fatty acid(1-) a 2-methyl fatty acid CHEBI:83976 2-methyl fatty acid anion 2-methyl fatty acid(1-) SUBMITTER 2-methyl-branched fatty acid anion ChEBI 2-methyl-branched fatty acid(1-) ChEBI a 2-methyl fatty acid UniProt A proteinogenic amino acid derivative resulting from reaction of L-glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-glutamic acid by a heteroatom. chebi_ontology L-glutamic acid derivatives CHEBI:83982 L-glutamic acid derivative L-glutamic acid derivatives ChEBI A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. 0 C4H8N2S4 InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10) AWYFNIZYMPNGAI-UHFFFAOYSA-N 212.38000 211.95703 SC(=S)NCCNC(S)=S CAS:111-54-6 Reaxys:1772091 ethane-1,2-diyldicarbamodithioic acid chebi_ontology N,N'-(ethylene)bisdithiocarbamic acid N,N'-ethanediylbis(dithiocarbamic acid) ethylenebisdithiocarbamic acid CHEBI:83986 ethylenebis(dithiocarbamic acid) CAS:111-54-6 ChemIDplus Reaxys:1772091 Reaxys ethane-1,2-diyldicarbamodithioic acid IUPAC N,N'-(ethylene)bisdithiocarbamic acid ChEBI N,N'-ethanediylbis(dithiocarbamic acid) ChEBI ethylenebisdithiocarbamic acid ChemIDplus A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group. 0 C14H16ClN3O2 InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3 WURBVZBTWMNKQT-UHFFFAOYSA-N 293.74900 293.09310 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1 LINCS:LSM-4424 PPDB:648 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one chebi_ontology CHEBI:84002 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one IUPAC A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (R)-enantiomer of triadimefon. 0 C14H16ClN3O2 InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3/t13-/m1/s1 WURBVZBTWMNKQT-CYBMUJFWSA-N 293.74900 293.09310 CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 CAS:73804-20-3 Reaxys:20863307 (1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one chebi_ontology CHEBI:84003 (R)-triadimefon CAS:73804-20-3 ChemIDplus Reaxys:20863307 Reaxys (1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one IUPAC A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (S)-enantiomer of triadimefon. 0 C14H16ClN3O2 InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3/t13-/m0/s1 WURBVZBTWMNKQT-ZDUSSCGKSA-N 293.74900 293.09310 CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cncn1 CAS:89497-67-6 Reaxys:20863308 (1S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one chebi_ontology CHEBI:84004 (S)-triadimefon CAS:89497-67-6 ChemIDplus Reaxys:20863308 Reaxys (1S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one IUPAC Any phospho sugar that is the phosphate derivative of pentose. chebi_ontology pentose phosphates CHEBI:84055 pentose phosphate pentose phosphates ChEBI A saturated fatty aldehyde composed from five carbons in a straight chain. 0 C5H10O InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 HGBOYTHUEUWSSQ-UHFFFAOYSA-N 86.13230 86.07316 CCCCC=O CHEBI:45074 CAS:110-62-3 HMDB:HMDB0031206 MetaCyc:CPD-9053 PDBeChem:PTL PMID:25466114 PMID:25616527 Reaxys:1616304 Wikipedia:Pentanal pentanal valeraldehyde chebi_ontology Amyl aldehyde Amylaldehyde Pentyl aldehyde Valeral Valeric aldehyde Valeryl aldehyde Valerylaldehyde n-Pentanal n-Valeraldehyde CHEBI:84069 pentanal CAS:110-62-3 ChemIDplus CAS:110-62-3 NIST Chemistry WebBook PMID:25466114 Europe PMC PMID:25616527 Europe PMC Reaxys:1616304 Reaxys pentanal UniProt valeraldehyde IUPAC Amyl aldehyde ChemIDplus Amylaldehyde ChemIDplus Pentyl aldehyde ChemIDplus Valeral ChemIDplus Valeric aldehyde ChemIDplus Valeryl aldehyde ChemIDplus Valerylaldehyde ChemIDplus n-Pentanal ChemIDplus n-Valeraldehyde ChemIDplus Any metabolite (endogenous or exogenous) found in human urine samples. chebi_ontology human urinary metabolites CHEBI:84087 human urinary metabolite human urinary metabolites ChEBI A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures. 0 C12H14N2O2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N 218.25180 218.10553 CCC1(C(=O)NCNC1=O)c1ccccc1 CAS:125-33-7 DrugBank:DB00794 Drug_Central:2267 HMDB:HMDB0014932 KEGG:C07371 KEGG:D00474 LINCS:LSM-2700 PMID:10716065 PMID:17253477 PMID:24712318 PMID:24812533 Reaxys:218034 Wikipedia:Primidone 5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dione chebi_ontology 2-deoxyphenobarbital 5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione primidona primidone primidonum CHEBI:8412 primidone CAS:125-33-7 ChemIDplus CAS:125-33-7 KEGG COMPOUND Drug_Central:2267 DrugCentral PMID:10716065 Europe PMC PMID:17253477 Europe PMC PMID:24712318 Europe PMC PMID:24812533 Europe PMC Reaxys:218034 Reaxys 5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dione IUPAC 2-deoxyphenobarbital ChemIDplus 5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione KEGG_COMPOUND primidona ChemIDplus primidone ChemIDplus primidonum ChemIDplus A non-proteinogenic amino acid derivative resulting from reaction of D-tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-tyrosine by a heteroatom. chebi_ontology D-tyrosine derivatives CHEBI:84124 D-tyrosine derivative D-tyrosine derivatives ChEBI A proteinogenic amino acid derivative resulting from reaction of L-valine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-valine by a heteroatom. chebi_ontology L-valine derivatives CHEBI:84129 L-valine derivative L-valine derivatives ChEBI A non-proteinogenic amino acid derivative resulting from reaction of D-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-phenylalanine by a heteroatom. chebi_ontology D-phenylalanine derivatives CHEBI:84143 D-phenylalanine derivative D-phenylalanine derivatives ChEBI A proteinogenic amino acid derivative resulting from reaction of L-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-phenylalanine by a heteroatom. chebi_ontology L-phenylalanine derivatives CHEBI:84144 L-phenylalanine derivative L-phenylalanine derivatives ChEBI A proteinogenic amino acid derivative resulting from reaction of L-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of L-proline by a heteroatom. chebi_ontology L-proline derivatives CHEBI:84186 L-proline derivative L-proline derivatives ChEBI A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet. 0 C11H8ClNO2 InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15) ALZOLUNSQWINIR-UHFFFAOYSA-N 221.64000 221.02436 Cc1cnc2c(C(O)=O)c(Cl)ccc2c1 CHEBI:82039 CHEBI:84200 CAS:90717-03-6 KEGG:C18891 PMID:11080318 PMID:11520869 PMID:11871567 PMID:25551708 PPDB:578 Patent:EP0445420 Patent:EP2272349 Pesticides:quinmerac Reaxys:8392904 7-chloro-3-methylquinoline-8-carboxylic acid chebi_ontology 7-Chloro-3-methyl-8-quinolinecarboxylic acid BAS 518 CHEBI:84199 quinmerac CAS:90717-03-6 ChemIDplus CAS:90717-03-6 KEGG COMPOUND PMID:11080318 Europe PMC PMID:11520869 Europe PMC PMID:11871567 Europe PMC PMID:25551708 Europe PMC Pesticides:quinmerac Alan Wood's Pesticides Reaxys:8392904 Reaxys 7-chloro-3-methylquinoline-8-carboxylic acid IUPAC 7-Chloro-3-methyl-8-quinolinecarboxylic acid ChemIDplus BAS 518 ChemIDplus A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism. 0 C4H9NO InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 FXHOOIRPVKKKFG-UHFFFAOYSA-N 87.12040 87.06841 CN(C)C(C)=O CAS:127-19-5 KEGG:C20339 PMID:25518943 Reaxys:1737614 Wikipedia:Dimethylacetamide N,N-dimethylacetamide chebi_ontology dimethylacetamide CHEBI:84254 N,N-dimethylacetamide CAS:127-19-5 ChemIDplus PMID:25518943 Europe PMC Reaxys:1737614 Reaxys N,N-dimethylacetamide IUPAC dimethylacetamide ChEBI An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of nicotinamidase (EC 3.5.1.19). Wikipedia:Nicotinamidase chebi_ontology EC 3.5.1.19 (nicotinamidase) inhibitors EC 3.5.1.19 inhibitor EC 3.5.1.19 inhibitors YNDase inhibitor YNDase inhibitors nicotinamidase (EC 3.5.1.19) inhibitor nicotinamidase (EC 3.5.1.19) inhibitors nicotinamidase inhibitor nicotinamidase inhibitors nicotinamide amidase inhibitor nicotinamide amidase inhibitors nicotinamide amidohydrolase inhibitor nicotinamide amidohydrolase inhibitors nicotinamide deaminase inhibitor nicotinamide deaminase inhibitors CHEBI:84264 EC 3.5.1.19 (nicotinamidase) inhibitor EC 3.5.1.19 (nicotinamidase) inhibitors ChEBI EC 3.5.1.19 inhibitor ChEBI EC 3.5.1.19 inhibitors ChEBI YNDase inhibitor ChEBI YNDase inhibitors ChEBI nicotinamidase (EC 3.5.1.19) inhibitor ChEBI nicotinamidase (EC 3.5.1.19) inhibitors ChEBI nicotinamidase inhibitor ChEBI nicotinamidase inhibitors ChEBI nicotinamide amidase inhibitor ChEBI nicotinamide amidase inhibitors ChEBI nicotinamide amidohydrolase inhibitor ChEBI nicotinamide amidohydrolase inhibitors ChEBI nicotinamide deaminase inhibitor ChEBI nicotinamide deaminase inhibitors ChEBI A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. 0 C31H48O2S2 InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3 FYPMFJGVHOHGLL-UHFFFAOYSA-N 516.84200 516.30957 CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C CAS:23288-49-5 DrugBank:DB01599 Drug_Central:2269 HMDB:HMDB0015537 KEGG:C07373 KEGG:D00476 LINCS:LSM-3617 PMID:22305809 PMID:23107872 PMID:23167559 PMID:23334712 PMID:23363981 PMID:23378294 PMID:23443157 PMID:23741215 Patent:CN101423484 Patent:CN101455842 Patent:CN102973535 Patent:FR1561853 Patent:US3576883 Patent:US3862332 Reaxys:2026253 Wikipedia:Probucol 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol) chebi_ontology 4,4'- (Isopropylidenedithio)bis(2,6-di-tert-butylphenol) Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole Biphenabid Bisbid Bisphenabid DH-581 Lesterol Lorelco Lurselle Serterol Superlipid probucol probucolum CHEBI:8427 probucol CAS:23288-49-5 ChemIDplus CAS:23288-49-5 KEGG COMPOUND Drug_Central:2269 DrugCentral PMID:22305809 Europe PMC PMID:23107872 Europe PMC PMID:23167559 Europe PMC PMID:23334712 Europe PMC PMID:23363981 Europe PMC PMID:23378294 Europe PMC PMID:23443157 Europe PMC PMID:23741215 Europe PMC Reaxys:2026253 Reaxys 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol) IUPAC 4,4'- (Isopropylidenedithio)bis(2,6-di-tert-butylphenol) HMDB Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole HMDB Biphenabid ChemIDplus Bisbid ChemIDplus Bisphenabid ChemIDplus DH-581 ChEBI Lesterol ChemIDplus Lorelco KEGG_DRUG Lurselle ChEBI Serterol ChEBI Superlipid ChEBI probucol WHO_MedNet probucolum ChemIDplus A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group. 0 C14H19NO2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 DUGOZIWVEXMGBE-UHFFFAOYSA-N 233.30620 233.14158 COC(=O)C(C1CCCCN1)c1ccccc1 methyl phenyl(piperidin-2-yl)acetate chebi_ontology alpha-phenyl-2-piperidineacetic acid methyl ester methyl alpha-phenyl-alpha-(2-piperidyl)acetate methyl alpha-phenyl-alpha-2-piperidinylacetate methyl phenidylacetate methylphenidan CHEBI:84276 methyl phenyl(piperidin-2-yl)acetate methyl phenyl(piperidin-2-yl)acetate IUPAC alpha-phenyl-2-piperidineacetic acid methyl ester NIST_Chemistry_WebBook methyl alpha-phenyl-alpha-(2-piperidyl)acetate NIST_Chemistry_WebBook methyl alpha-phenyl-alpha-2-piperidinylacetate NIST_Chemistry_WebBook methyl phenidylacetate ChemIDplus methylphenidan ChemIDplus An organic anion in which the charge resides on a sulfur atom. chebi_ontology organic sulfur anions CHEBI:84291 organic sulfur anion organic sulfur anions ChEBI Any organic sulfur anion resulting from the removal of a proton from any N-substituted dithiocarbamic acid. -1 CNS2R2 90.14800 89.94722 [S-]C(=S)N([*])[*] chebi_ontology CHEBI:84292 dithiocarbamate anions A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3. -1 C3H6NS2 InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/p-1 MZGNSEAPZQGJRB-UHFFFAOYSA-M 120.21700 119.99472 CN(C)C([S-])=S chebi_ontology dimethyldithiocarbamic acid anion dimethyldithiocarbamic acid(1-) CHEBI:84293 dimethyldithiocarbamate dimethyldithiocarbamic acid anion ChEBI dimethyldithiocarbamic acid(1-) ChEBI A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables. 0 C15H16Cl3N3O2 InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3 TVLSRXXIMLFWEO-UHFFFAOYSA-N 376.66500 375.03081 CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 CAS:67747-09-5 KEGG:C11182 PMID:24401010 PMID:24964350 PMID:25163568 PPDB:536 Pesticides:prochloraz Reaxys:8155344 N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide chebi_ontology CHEBI:8434 prochloraz CAS:67747-09-5 ChemIDplus CAS:67747-09-5 KEGG COMPOUND PMID:24401010 Europe PMC PMID:24964350 Europe PMC PMID:25163568 Europe PMC Pesticides:prochloraz Alan Wood's Pesticides Reaxys:8155344 Reaxys N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide IUPAC A phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). -1 C6H3N2O5 InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/p-1 UFBJCMHMOXMLKC-UHFFFAOYSA-M 183.09900 183.00474 [O-]c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O CAS:20350-26-9 MetaCyc:CPD-8179 PMID:25281383 Reaxys:3552508 2,4-dinitrophenolate chebi_ontology 2,4-Dinitrophenol ion(1-) 2,4-dinitrophenol CHEBI:84561 2,4-dinitrophenol(1-) CAS:20350-26-9 ChemIDplus MetaCyc:CPD-8179 SUBMITTER PMID:25281383 Europe PMC Reaxys:3552508 Reaxys 2,4-dinitrophenolate IUPAC 2,4-Dinitrophenol ion(1-) ChemIDplus 2,4-dinitrophenol UniProt A one-carbon compound that is methane in which the hydrogens have been replaced by two fluorines, a bromine, and a chlorine. Widely used in 'vapourising liquid'-type fire extinguishers, its use is now generally banned under the Montreal Protocol (ozone-depleting substances), although it is still used in certain applications (e.g. aviation). 0 CBrClF2 InChI=1S/CBrClF2/c2-1(3,4)5 MEXUFEQDCXZEON-UHFFFAOYSA-N 165.36500 163.88400 FC(F)(Cl)Br CAS:353-59-3 PMID:1536156 PMID:1675103 PMID:3203080 PMID:3959825 PMID:4068954 PMID:4631365 Reaxys:1732514 Wikipedia:Bromochlorodifluoromethane bromo(chloro)difluoromethane chebi_ontology Daiflon 12B1 Flugex 12B1 Freon 12B1 Halon 1211 Halon-1211 chlorodifluobromometano chlorodifluoromonobromomethane difluorobromochloromethane difluorochlorobromomethane fluorocarbon 1211 monobromomonochlorodifluoromethane refrigerant gas R 12B1 CHEBI:84698 bromochlorodifluoromethane CAS:353-59-3 ChemIDplus PMID:1536156 Europe PMC PMID:1675103 Europe PMC PMID:3203080 Europe PMC PMID:3959825 Europe PMC PMID:4068954 Europe PMC PMID:4631365 Europe PMC Reaxys:1732514 Reaxys bromo(chloro)difluoromethane IUPAC Daiflon 12B1 ChemIDplus Flugex 12B1 ChemIDplus Freon 12B1 NIST_Chemistry_WebBook Halon 1211 NIST_Chemistry_WebBook Halon-1211 ChemIDplus chlorodifluobromometano ChemIDplus chlorodifluoromonobromomethane NIST_Chemistry_WebBook difluorobromochloromethane ChEBI difluorochlorobromomethane ChEBI fluorocarbon 1211 NIST_Chemistry_WebBook monobromomonochlorodifluoromethane ChEBI refrigerant gas R 12B1 ChemIDplus Any member of the class of indoles carrying at least one hydroxy group. chebi_ontology CHEBI:84729 hydroxyindoles An alkanethiol that is propane substituted by a thiol group at position 1. 0 C3H8S InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 SUVIGLJNEAMWEG-UHFFFAOYSA-N 76.16162 76.03467 CCCS Beilstein:1696860 CAS:107-03-9 HMDB:HMDB0034238 KEGG:C08390 KNApSAcK:C00001267 PDBeChem:XL3 PMID:16748484 Reaxys:1696860 Wikipedia:Propanethiol Propane-1-thiol propane-1-thiol chebi_ontology 1-Mercaptopropane 1-Propyl mercaptan 1-Propylmercaptan Propanethiol Propyl mercaptan Propylthiol Thiopropyl alcohol n-Propyl mercaptan n-Propylmercaptan n-Propylthiol n-Thiopropyl alcohol CHEBI:8473 propane-1-thiol Beilstein:1696860 Beilstein CAS:107-03-9 ChemIDplus CAS:107-03-9 KEGG COMPOUND CAS:107-03-9 NIST Chemistry WebBook PMID:16748484 Europe PMC Reaxys:1696860 Reaxys Propane-1-thiol KEGG_COMPOUND propane-1-thiol IUPAC 1-Mercaptopropane ChemIDplus 1-Propyl mercaptan ChemIDplus 1-Propylmercaptan ChemIDplus Propanethiol KEGG_COMPOUND Propyl mercaptan KEGG_COMPOUND Propylthiol ChemIDplus Thiopropyl alcohol ChemIDplus n-Propyl mercaptan ChemIDplus n-Propylmercaptan ChemIDplus n-Propylthiol ChemIDplus n-Thiopropyl alcohol ChemIDplus Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. chebi_ontology algal metabolites CHEBI:84735 algal metabolite algal metabolites ChEBI An organic cation obtained by protonation of amiloride. +1 C6H9ClN7O InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)/p+1 XSDQTOBWRPYKKA-UHFFFAOYSA-O 230.63400 230.05516 [H+].NC(=N)NC(=O)c1nc(Cl)c(N)nc1N chebi_ontology amiloride cation CHEBI:84745 amiloride(1+) amiloride cation ChEBI Any N-nitro compound obtained by formal replacement of one or more of the hydrogens of a nitroguanidine by an organyl group. chebi_ontology nitroguanidine derivatives CHEBI:84771 nitroguanidine derivative nitroguanidine derivatives ChEBI Any nitroguanidine derivative resulting from the replacement of one or more hydrogens of 2-nitroguanidine by an organyl group. 0 CN4O2R4 100.036 100.00213 [O-][N+](=O)\N=C(/N([*])[*])N([*])[*] chebi_ontology 2-nitroguanidine derivatives CHEBI:84773 2-nitroguanidine derivative 2-nitroguanidine derivatives ChEBI The cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds. 0 C15H17Cl2N3O2 InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3 STJLVHWMYQXCPB-UHFFFAOYSA-N 342.22000 341.06978 CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl CHEBI:658576 CAS:60207-90-1 CAS:75881-82-2 KEGG:C11121 MetaCyc:CPD-14540 PMID:19128860 PPDB:551 Patent:DE2551560 Patent:US4079062 Pesticides:propiconazole Reaxys:841361 Wikipedia:Propiconazole 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole Propiconazole chebi_ontology (+-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole CHEBI:8489 propiconazole CAS:60207-90-1 ChemIDplus CAS:60207-90-1 KEGG COMPOUND CAS:75881-82-2 NIST Chemistry WebBook PMID:19128860 ChEMBL Pesticides:propiconazole Alan Wood's Pesticides Reaxys:841361 Reaxys 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole IUPAC Propiconazole KEGG_COMPOUND (+-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole ChEBI A lysophosphatidate 18:1 in which the acyl group is specified as oleoyl (attached at either sn-1 or sn-2 position). -2 C21H39O7P 434.5039 434.24334 O(P(=O)([O-])[O-])C[C@H](O*)CO* chebi_ontology (9Z)-octadecenoyl-sn-glycero-3-phosphate CHEBI:84973 oleoyl-sn-glycero-3-phosphate(2-) (9Z)-octadecenoyl-sn-glycero-3-phosphate UniProt A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. 0 C16H21NO2 InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N 259.34348 259.15723 CC(C)NCC(O)COc1cccc2ccccc12 Beilstein:987417 CAS:525-66-6 DrugBank:DB00571 Drug_Central:2303 HMDB:HMDB0001849 KEGG:C07407 KEGG:D08443 LINCS:LSM-4329 PMID:18259090 PMID:24495884 PMID:24504055 Reaxys:987417 Wikipedia:Propranolol 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Propranolol chebi_ontology 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol Propanalol Propanolol beta-Propranolol propranolol propranololo propranololum CHEBI:8499 propranolol Beilstein:987417 Beilstein CAS:525-66-6 ChemIDplus CAS:525-66-6 KEGG COMPOUND CAS:525-66-6 NIST Chemistry WebBook Drug_Central:2303 DrugCentral PMID:18259090 Europe PMC PMID:24495884 Europe PMC PMID:24504055 Europe PMC Reaxys:987417 Reaxys 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol IUPAC Propranolol KEGG_COMPOUND 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol ChemIDplus 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol IUPAC Propanalol NIST_Chemistry_WebBook Propanolol NIST_Chemistry_WebBook beta-Propranolol NIST_Chemistry_WebBook propranolol ChemIDplus propranolol WHO_MedNet propranololo WHO_MedNet propranololum WHO_MedNet A carbocyclic fatty acid composed of heptanoic acid having a (1S,2S)-2-octylcyclopentyl substituent at position 7. 0 C20H38O2 InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1 WGJJROVFWIXTPA-OALUTQOASA-N 310.51452 310.28718 CCCCCCCC[C@H]1CCC[C@@H]1CCCCCCC(O)=O Beilstein:5744307 KEGG:C02064 LIPID_MAPS_instance:LMFA03010000 PMID:6234649 Reaxys:5744307 7-[(1S,2S)-2-octylcyclopentyl]heptanoic acid Prostanoic acid prostan-1-oic acid chebi_ontology CHEBI:8504 prostanoic acid Beilstein:5744307 Beilstein LIPID_MAPS_instance:LMFA03010000 LIPID MAPS PMID:6234649 Europe PMC Reaxys:5744307 Reaxys 7-[(1S,2S)-2-octylcyclopentyl]heptanoic acid IUPAC Prostanoic acid KEGG_COMPOUND prostan-1-oic acid IUPAC Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin. PMID:21265866 PMID:22132817 PMID:22314516 PMID:23891889 PMID:23974587 PMID:25535470 PMID:25574195 PMID:25643794 Wikipedia:Skin_whitening chebi_ontology melanogenesis inhibitor melanogenesis inhibitors skin bleaching agent skin bleaching agents skin depigmenting agent skin depigmenting agents skin lightening agents skin whitening agent skin whitening agents CHEBI:85046 skin lightening agent PMID:21265866 Europe PMC PMID:22132817 Europe PMC PMID:22314516 Europe PMC PMID:23891889 Europe PMC PMID:23974587 Europe PMC PMID:25535470 Europe PMC PMID:25574195 Europe PMC PMID:25643794 Europe PMC melanogenesis inhibitor ChEBI melanogenesis inhibitors ChEBI skin bleaching agent ChEBI skin bleaching agents ChEBI skin depigmenting agent ChEBI skin depigmenting agents ChEBI skin lightening agents ChEBI skin whitening agent ChEBI skin whitening agents ChEBI An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.10.3.*). chebi_ontology EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitors EC 1.10.3.* inhibitor EC 1.10.3.* inhibitors CHEBI:85048 EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitors ChEBI EC 1.10.3.* inhibitor ChEBI EC 1.10.3.* inhibitors ChEBI Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of catechol oxidase (EC 1.10.3.1). Wikipedia:Catechol_oxidase chebi_ontology 1,2-benzenediol:oxygen oxidoreductase inhibitor 1,2-benzenediol:oxygen oxidoreductase inhibitors Dopa oxidase inhibitor Dopa oxidase inhibitors EC 1.10.3.1 (catechol oxidase) inhibitors EC 1.10.3.1 inhibitor EC 1.10.3.1 inhibitors catechol oxidase (EC 1.10.3.1) inhibitor catechol oxidase (EC 1.10.3.1) inhibitors catechol oxidase inhibitor catechol oxidase inhibitors catecholase inhibitor catecholase inhibitors diphenol oxidase inhibitor diphenol oxidase inhibitors o-diphenol oxidoreductase inhibitor o-diphenol oxidoreductase inhibitors o-diphenol:oxygen oxidoreductase inhibitor o-diphenol:oxygen oxidoreductase inhibitors o-diphenolase inhibitor o-diphenolase inhibitors phenolase inhibitor phenolase inhibitors polyphenol oxidase inhibitor polyphenol oxidase inhibitors pyrocatechol oxidase inhibitor pyrocatechol oxidase inhibitors tyrosinase inhibitor tyrosinase inhibitors CHEBI:85049 EC 1.10.3.1 (catechol oxidase) inhibitor 1,2-benzenediol:oxygen oxidoreductase inhibitor ChEBI 1,2-benzenediol:oxygen oxidoreductase inhibitors ChEBI Dopa oxidase inhibitor ChEBI Dopa oxidase inhibitors ChEBI EC 1.10.3.1 (catechol oxidase) inhibitors ChEBI EC 1.10.3.1 inhibitor ChEBI EC 1.10.3.1 inhibitors ChEBI catechol oxidase (EC 1.10.3.1) inhibitor ChEBI catechol oxidase (EC 1.10.3.1) inhibitors ChEBI catechol oxidase inhibitor ChEBI catechol oxidase inhibitors ChEBI catecholase inhibitor ChEBI catecholase inhibitors ChEBI diphenol oxidase inhibitor ChEBI diphenol oxidase inhibitors ChEBI o-diphenol oxidoreductase inhibitor ChEBI o-diphenol oxidoreductase inhibitors ChEBI o-diphenol:oxygen oxidoreductase inhibitor ChEBI o-diphenol:oxygen oxidoreductase inhibitors ChEBI o-diphenolase inhibitor ChEBI o-diphenolase inhibitors ChEBI phenolase inhibitor ChEBI phenolase inhibitors ChEBI polyphenol oxidase inhibitor ChEBI polyphenol oxidase inhibitors ChEBI pyrocatechol oxidase inhibitor ChEBI pyrocatechol oxidase inhibitors ChEBI tyrosinase inhibitor ChEBI tyrosinase inhibitors ChEBI Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of laccase (EC 1.10.3.2). Wikipedia:Laccase chebi_ontology EC 1.10.3.2 (laccase) inhibitors EC 1.10.3.2 inhibitor EC 1.10.3.2 inhibitors benzenediol:oxygen oxidoreductase inhibitor benzenediol:oxygen oxidoreductase inhibitors laccase (EC 1.10.3.2) inhibitor laccase (EC 1.10.3.2) inhibitors laccase inhibitor laccase inhibitors p-diphenol oxidase inhibitor p-diphenol oxidase inhibitors urishiol oxidase inhibitor urishiol oxidase inhibitors urushiol oxidase inhibitor urushiol oxidase inhibitors CHEBI:85050 EC 1.10.3.2 (laccase) inhibitor EC 1.10.3.2 (laccase) inhibitors ChEBI EC 1.10.3.2 inhibitor ChEBI EC 1.10.3.2 inhibitors ChEBI benzenediol:oxygen oxidoreductase inhibitor ChEBI benzenediol:oxygen oxidoreductase inhibitors ChEBI laccase (EC 1.10.3.2) inhibitor ChEBI laccase (EC 1.10.3.2) inhibitors ChEBI laccase inhibitor ChEBI laccase inhibitors ChEBI p-diphenol oxidase inhibitor ChEBI p-diphenol oxidase inhibitors ChEBI urishiol oxidase inhibitor ChEBI urishiol oxidase inhibitors ChEBI urushiol oxidase inhibitor ChEBI urushiol oxidase inhibitors ChEBI Any EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor that interferes with the action of quercetin 2,3-dioxygenase (EC 1.13.1.24). Wikipedia:Quercetin_2,3-dioxygenase chebi_ontology EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitors EC 1.13.11.24 inhibitor EC 1.13.11.24 inhibitors flavonol 2,4-oxygenase inhibitor flavonol 2,4-oxygenase inhibitors quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitor quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitors quercetin 2,3-dioxygenase inhibitor quercetin 2,3-dioxygenase inhibitors quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitor quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitors quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitor quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitors quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitor quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitors quercetinase inhibitor quercetinase inhibitors CHEBI:85051 EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitors ChEBI EC 1.13.11.24 inhibitor ChEBI EC 1.13.11.24 inhibitors ChEBI flavonol 2,4-oxygenase inhibitor ChEBI flavonol 2,4-oxygenase inhibitors ChEBI quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitor ChEBI quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitors ChEBI quercetin 2,3-dioxygenase inhibitor ChEBI quercetin 2,3-dioxygenase inhibitors ChEBI quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitor ChEBI quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitors ChEBI quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitor ChEBI quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitors ChEBI quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitor ChEBI quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitors ChEBI quercetinase inhibitor ChEBI quercetinase inhibitors ChEBI Any EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of D-amino-acid oxidase (EC 1.4.3.3). Wikipedia:D-amino_acid_oxidase chebi_ontology D-amino-acid oxidase (EC 1.4.3.3) inhibitor D-amino-acid oxidase (EC 1.4.3.3) inhibitors D-amino-acid oxidase inhibitor D-amino-acid oxidase inhibitors D-amino-acid:oxygen oxidoreductase (deaminating) inhibitor D-amino-acid:oxygen oxidoreductase (deaminating) inhibitors EC 1.4.3.3 (D-amino-acid oxidase) inhibitors EC 1.4.3.3 inhibitor EC 1.4.3.3 inhibitors L-amino acid:O2 oxidoreductase inhibitor L-amino acid:O2 oxidoreductase inhibitors new yellow enzyme inhibitor new yellow enzyme inhibitors ophio-amino-acid oxidase inhibitor ophio-amino-acid oxidase inhibitors CHEBI:85052 EC 1.4.3.3 (D-amino-acid oxidase) inhibitor D-amino-acid oxidase (EC 1.4.3.3) inhibitor ChEBI D-amino-acid oxidase (EC 1.4.3.3) inhibitors ChEBI D-amino-acid oxidase inhibitor ChEBI D-amino-acid oxidase inhibitors ChEBI D-amino-acid:oxygen oxidoreductase (deaminating) inhibitor ChEBI D-amino-acid:oxygen oxidoreductase (deaminating) inhibitors ChEBI EC 1.4.3.3 (D-amino-acid oxidase) inhibitors ChEBI EC 1.4.3.3 inhibitor ChEBI EC 1.4.3.3 inhibitors ChEBI L-amino acid:O2 oxidoreductase inhibitor ChEBI L-amino acid:O2 oxidoreductase inhibitors ChEBI new yellow enzyme inhibitor ChEBI new yellow enzyme inhibitors ChEBI ophio-amino-acid oxidase inhibitor ChEBI ophio-amino-acid oxidase inhibitors ChEBI A 4-hydroxybenzoate ester in which the esterifying alcohol is an alkanol (in diagram, R = alkyl). Commonly used as preservatives in cosmetic and pharmaceutical products. 0 C7H5O3R 137.11280 137.02387 Oc1ccc(cc1)C(=O)O[*] PMID:15833376 PMID:25192815 PMID:25463195 PMID:25560451 PMID:25588598 PMID:25597796 PMID:25644523 PMID:25677831 Wikipedia:Paraben chebi_ontology parabens CHEBI:85122 paraben PMID:15833376 Europe PMC PMID:25192815 Europe PMC PMID:25463195 Europe PMC PMID:25560451 Europe PMC PMID:25588598 Europe PMC PMID:25597796 Europe PMC PMID:25644523 Europe PMC PMID:25677831 Europe PMC parabens ChEBI An amino acid ester resulting from the formal condensation of the carboxy group of a beta-amino acid with the hydroxy group of an alcohol or phenol. chebi_ontology beta-amino acid esters CHEBI:85139 beta-amino acid ester beta-amino acid esters ChEBI Any metabolite (endogenous or exogenous) found in human blood serum samples. chebi_ontology human blood serum metabolites CHEBI:85234 human blood serum metabolite human blood serum metabolites ChEBI A secondary aliphatic amine where both N-substituents are ethyl. 0 C4H11N InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 HPNMFZURTQLUMO-UHFFFAOYSA-N 73.13680 73.08915 CCNCC CAS:109-89-7 HMDB:HMDB0041878 MetaCyc:DIETHYLAMINE Reaxys:605268 Wikipedia:Diethylamine N-ethylethanamine chebi_ontology (C2H5)2NH DEA Diaethylamin Et2NH N,N-Diethylamine CHEBI:85259 diethylamine CAS:109-89-7 ChemIDplus CAS:109-89-7 NIST Chemistry WebBook Reaxys:605268 Reaxys N-ethylethanamine IUPAC (C2H5)2NH NIST_Chemistry_WebBook DEA NIST_Chemistry_WebBook Diaethylamin NIST_Chemistry_WebBook Et2NH ChEBI N,N-Diethylamine HMDB A racemate comprising equimolar amounts of R- and S-flumequine. A broad-spectrum antibiotic, formerly used in veterinary medicine for stock breeding and treatment of aquacultures. CAS:42835-25-6 KEGG:D02302 PMID:23773949 PMID:24261869 PMID:24836135 PMID:25045079 PMID:25476307 PMID:25633214 Reaxys:490724 VSDB:1564 Wikipedia:Flumequine rac-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid chebi_ontology 9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)quinolizine-2-carboxylic acid flumequine flumequino flumequinum CHEBI:85267 flumequine CAS:42835-25-6 ChemIDplus CAS:42835-25-6 KEGG DRUG PMID:23773949 Europe PMC PMID:24261869 Europe PMC PMID:24836135 Europe PMC PMID:25045079 Europe PMC PMID:25476307 Europe PMC PMID:25633214 Europe PMC Reaxys:490724 Reaxys rac-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid IUPAC 9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)quinolizine-2-carboxylic acid ChemIDplus flumequine KEGG_DRUG flumequino ChemIDplus flumequinum ChemIDplus A member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively. 0 C14H12FNO3 InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19) DPSPPJIUMHPXMA-UHFFFAOYSA-N 261.24840 261.08012 CC1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O CHEBI:94431 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid chebi_ontology CHEBI:85269 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid IUPAC A 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (S)-enantiomer of flumequine. 0 C14H12FNO3 InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m0/s1 DPSPPJIUMHPXMA-ZETCQYMHSA-N 261.24840 261.08012 C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O Reaxys:8273774 (5S)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid chebi_ontology CHEBI:85272 (S)-flumequine Reaxys:8273774 Reaxys (5S)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid IUPAC A 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (R)-enantiomer of flumequine. 0 C14H12FNO3 InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m1/s1 DPSPPJIUMHPXMA-SSDOTTSWSA-N 261.24840 261.08012 C[C@@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O Reaxys:8273773 (5R)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid chebi_ontology CHEBI:85273 (R)-flumequine Reaxys:8273773 Reaxys (5R)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid IUPAC Any substance that inhibits the action of glycine transporters. chebi_ontology glycine transporter inhibitors CHEBI:85425 glycine transporter inhibitor glycine transporter inhibitors ChEBI chebi_ontology CHEBI:85541 elemental bismuth A bismuth atom having a net electric charge. chebi_ontology CHEBI:85543 bismuth ion A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a haloacetic acid. -1 C2H2O2X 58.03660 58.00548 [O-]C(=O)C* MetaCyc:Haloacetates chebi_ontology a haloacetate haloacetate (1-) CHEBI:85638 haloacetate(1-) a haloacetate UniProt haloacetate (1-) ChEBI Any polychlorobiphenyl with molecular formula C12H3Cl7. 0 C12H3Cl7 395.32300 391.80544 heptachloro-1,1'-biphenyl chebi_ontology heptachlorobiphenyls CHEBI:85782 heptachlorobiphenyl heptachloro-1,1'-biphenyl IUPAC heptachlorobiphenyls ChEBI Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). chebi_ontology Rattus norvegicus metabolite Rattus norvegicus metabolites rat metabolites CHEBI:86264 rat metabolite Rattus norvegicus metabolite ChEBI Rattus norvegicus metabolites ChEBI rat metabolites ChEBI A phenolate anion resulting from deprotonation of the phenolic hydroxy group of picric acid. -1 C6H2N3O7 InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H/p-1 OXNIZHLAWKMVMX-UHFFFAOYSA-M 228.09650 227.98982 [O-]c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O MetaCyc:CPD-17566 Reaxys:3595189 2,4,6-trinitrophenolate 2,4,6-trinitrophenoxide chebi_ontology 2,4,6-trinitrophenolate ion 2,4,6-trinitrophenoxide ion picrate picrate ion CHEBI:86297 picrate anion Reaxys:3595189 Reaxys 2,4,6-trinitrophenolate IUPAC 2,4,6-trinitrophenoxide IUPAC 2,4,6-trinitrophenolate ion ChEBI 2,4,6-trinitrophenoxide ion ChEBI picrate ChEBI picrate ion ChEBI Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group. 0 CH3SR 47.101 46.99555 CS[*] CHEBI:25260 MetaCyc:Methyl-thioethers chebi_ontology a methyl thioether methyl sulfides methyl thioether methyl thioethers CHEBI:86315 methyl sulfide MetaCyc:Methyl-thioethers SUBMITTER a methyl thioether UniProt methyl sulfides ChEBI methyl thioether ChEBI methyl thioethers ChEBI A compound that has a structure that is related to miconazole, contains an azole (imidazole or triazole) moiety, and has significant systemic antifungal properties. They inhibit cytochrome P450-dependent enzymes (particularly C14-demethylase) involved in the biosynthesis of ergosterol, which is required for fungal cell membrane structure and function. CHEBI:60593 chebi_ontology azole antibiotic azole antibiotics conazole antifungal agents CHEBI:86323 conazole antifungal agent azole antibiotic ChEBI azole antibiotics ChEBI conazole antifungal agents ChEBI An organonitrogen heterocyclic antibiotic whose structure contains a quinolone or quinolone-related skeleton. chebi_ontology quinolone antibiotics CHEBI:86324 quinolone antibiotic quinolone antibiotics ChEBI Any antifungal agent used to prevent or treat fungal infections in humans or animals. Wikipedia:Antifungal chebi_ontology anti-fungal drug anti-fungal drugs anti-fungal medication anti-fungal medications antifungal drugs antifungal medication antifungal medications pharmaceutical fungicide pharmaceutical fungicides CHEBI:86327 antifungal drug anti-fungal drug ChEBI anti-fungal drugs ChEBI anti-fungal medication ChEBI anti-fungal medications ChEBI antifungal drugs ChEBI antifungal medication ChEBI antifungal medications ChEBI pharmaceutical fungicide ChEBI pharmaceutical fungicides ChEBI Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. chebi_ontology agrichemical fungicide agrichemical fungicides agrochemical fungicide agrochemical fungicides anti-fungal agrichemical anti-fungal agrichemicals anti-fungal agrochemical anti-fungal agrochemicals antifungal agrichemical antifungal agrichemicals antifungal agrochemicals CHEBI:86328 antifungal agrochemical agrichemical fungicide ChEBI agrichemical fungicides ChEBI agrochemical fungicide ChEBI agrochemical fungicides ChEBI anti-fungal agrichemical ChEBI anti-fungal agrichemicals ChEBI anti-fungal agrochemical ChEBI anti-fungal agrochemicals ChEBI antifungal agrichemical ChEBI antifungal agrichemicals ChEBI antifungal agrochemicals ChEBI Organonitrogen compounds containing an aliphatic nitrogen that have significant antifungal properties. chebi_ontology aliphatic nitrogen antifungal agents CHEBI:86417 aliphatic nitrogen antifungal agent aliphatic nitrogen antifungal agents ChEBI A compound that has significant antifungal properties whose structure contains an imidazole moiety. chebi_ontology imidazole antifungal agents CHEBI:86420 imidazole antifungal agent imidazole antifungal agents ChEBI A mononitrophenol that is 2-nitrophenol and its derivatives resulting from substitution of one or more of the hydrogens attached to the benzene ring by a non-nitro group. chebi_ontology CHEBI:86421 2-nitrophenols A member of the class of triazole that has significant antifungal properties. chebi_ontology triazole antifungal agents CHEBI:86426 triazole antifungal agent triazole antifungal agents ChEBI A family of glycosaminoglycan formed by alternating residues of D-glucosamine and either muramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} or L-talosaminuronic acid (2-amino-2-deoxy-L-taluronic acid), which are usually N-acetylated or N-glycoloylated. Those containing muramic acid residues are known as peptidoglycans while those containing L-talosaminuronic acid residues are known as pseudopeptidoglycans. The carboxyl group of the muramic acid is commonly substituted by a peptide containing residues of both L- and D-amino acids, whereas that of L-talosaminuronic acid is substituted by a peptide consisting of L-amino acids only. chebi_ontology peptidoglycosaminoglycans CHEBI:86469 peptidoglycosaminoglycan peptidoglycosaminoglycans ChEBI Heteroorganic entities that are microbial metabolites (or compounds derived from them) which have significant antifungal properties. chebi_ontology antibiotic antifungal agents CHEBI:86478 antibiotic antifungal agent antibiotic antifungal agents ChEBI Any antibiotic antifungal agents whose structure is based on the antifungal agents originally isolated from the fungus Strobilurus tenacellus. Wikipedia:Strobilurin chebi_ontology strobilurin antifungal agents CHEBI:86482 strobilurin antifungal agent strobilurin antifungal agents ChEBI Any strobilurin antifungal agent that contains a methoxyacrylate group. chebi_ontology methoxyacrylate strobilurin antifungal agents CHEBI:86484 methoxyacrylate strobilurin antifungal agent methoxyacrylate strobilurin antifungal agents ChEBI Any strobilurin antifungal agent that contains a methoxycarbanilate group. chebi_ontology methoxycarbanilate strobilurin antifungal agents CHEBI:86485 methoxycarbanilate strobilurin antifungal agent methoxycarbanilate strobilurin antifungal agents ChEBI chebi_ontology CHEBI:86488 methoxyiminoacetate strobilurin antifungal agent A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying two additional methyl substituents at positions 4 and 6. A fungicide used to control grey mould on fruit, vegetables and ornamentals as well as leaf scab on pome fruit. Also commonly employed to control Botrytis cinerea throughout the winemaking process in grapes, must, fermenting must and wine. 0 C12H13N3 InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ZLIBICFPKPWGIZ-UHFFFAOYSA-N 199.25170 199.11095 Cc1cc(C)nc(Nc2ccccc2)n1 CAS:53112-28-0 HMDB:HMDB0033135 KEGG:C11180 PMID:22949075 PMID:23246620 PMID:23258318 PMID:23410121 PMID:23436777 PMID:23673061 PMID:23993516 PMID:24081744 PMID:24365971 PMID:24380616 PMID:24652239 PMID:24835131 PMID:25145229 PMID:25216469 PPDB:573 Pesticides:pyrimethanil Reaxys:151589 Wikipedia:Pyrimethanil 4,6-dimethyl-N-phenylpyrimidin-2-amine chebi_ontology 2-Anilino-4,6-dimethylpyrimidine 4,6-Dimethyl-N-phenyl-2-pyrimidinamine N-(4,6-dimethylpyrimidin-2-yl)aniline CHEBI:8674 pyrimethanil CAS:53112-28-0 ChemIDplus CAS:53112-28-0 KEGG COMPOUND CAS:53112-28-0 NIST Chemistry WebBook PMID:22949075 Europe PMC PMID:23246620 Europe PMC PMID:23258318 Europe PMC PMID:23410121 Europe PMC PMID:23436777 Europe PMC PMID:23673061 Europe PMC PMID:23993516 Europe PMC PMID:24081744 Europe PMC PMID:24365971 Europe PMC PMID:24380616 Europe PMC PMID:24652239 Europe PMC PMID:24835131 Europe PMC PMID:25145229 Europe PMC PMID:25216469 Europe PMC Pesticides:pyrimethanil Alan Wood's Pesticides Reaxys:151589 Reaxys 4,6-dimethyl-N-phenylpyrimidin-2-amine IUPAC 2-Anilino-4,6-dimethylpyrimidine HMDB 4,6-Dimethyl-N-phenyl-2-pyrimidinamine HMDB N-(4,6-dimethylpyrimidin-2-yl)aniline Alan_Wood's_Pesticides An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. 0 C17H18F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 RTHCYVBBDHJXIQ-UHFFFAOYSA-N 309.32610 309.13405 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 LINCS:LSM-1449 VSDB:1851 N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology CHEBI:86990 N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]. 0 C17H18F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1 RTHCYVBBDHJXIQ-MRXNPFEDSA-N 309.32610 309.13405 CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 CAS:100568-03-4 PMID:19144769 PMID:19788198 PMID:20663810 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24464553 PMID:24997906 Reaxys:4356432 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (+)-fluoxetine (R)-(+)-fluoxetine (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine (R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine (R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine (R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine (R)-Prozac CHEBI:86991 (R)-fluoxetine CAS:100568-03-4 ChemIDplus PMID:19144769 Europe PMC PMID:19788198 Europe PMC PMID:20663810 Europe PMC PMID:22903652 Europe PMC PMID:22923967 Europe PMC PMID:23885544 Europe PMC PMID:24464553 Europe PMC PMID:24997906 Europe PMC Reaxys:4356432 Reaxys (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC (+)-fluoxetine ChEBI (R)-(+)-fluoxetine ChEBI (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChemIDplus (R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine ChEBI (R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine ChEBI (R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChEBI (R)-Prozac ChEBI An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]. 0 C17H18F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1 RTHCYVBBDHJXIQ-INIZCTEOSA-N 309.32610 309.13405 CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 PMID:19144769 PMID:19788198 PMID:20663810 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24464553 PMID:24997906 Reaxys:4356433 (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (-)-fluoxetine (S)-(-)-fluoxetine (S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine (S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine (S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine (S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine (S)-Prozac CHEBI:86992 (S)-fluoxetine PMID:19144769 Europe PMC PMID:19788198 Europe PMC PMID:20663810 Europe PMC PMID:22903652 Europe PMC PMID:22923967 Europe PMC PMID:23885544 Europe PMC PMID:24464553 Europe PMC PMID:24997906 Europe PMC Reaxys:4356433 Reaxys (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC (-)-fluoxetine ChEBI (S)-(-)-fluoxetine ChEBI (S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChEBI (S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine ChEBI (S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine ChEBI (S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChEBI (S)-Prozac ChEBI An organic cation resulting from the protonation of the amino group of (R)-fluoxetine. +1 C17H19F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1 RTHCYVBBDHJXIQ-MRXNPFEDSA-O 310.33350 310.14133 C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Reaxys:25263171 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium chebi_ontology (+)-fluoxetine(1+) CHEBI:86993 (R)-fluoxetine(1+) Reaxys:25263171 Reaxys (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium IUPAC (+)-fluoxetine(1+) ChEBI An organic cation resulting from the protonation of the amino group of (S)-fluoxetine. +1 C17H19F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1 RTHCYVBBDHJXIQ-INIZCTEOSA-O 310.33350 310.14133 C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Reaxys:25263174 (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium chebi_ontology (-)-fluoxetine(1+) CHEBI:86995 (S)-fluoxetine(1+) Reaxys:25263174 Reaxys (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium IUPAC (-)-fluoxetine(1+) ChEBI A compound that has significant antifungal properties whose structure contains an amide moiety. chebi_ontology amide antifungal agents CHEBI:87012 amide antifungal agent amide antifungal agents ChEBI An amide fungicide whose structure contains an acylamino acid skeleton. chebi_ontology N-acylamino acid fungicide N-acylamino acid fungicides acylamino acid fungicides CHEBI:87013 acylamino acid fungicide N-acylamino acid fungicide ChEBI N-acylamino acid fungicides ChEBI acylamino acid fungicides ChEBI Any amide fungicide whose structure contains an anilide group. chebi_ontology anilide fungicides CHEBI:87015 anilide fungicide anilide fungicides ChEBI An amide fungicide whose structure contains a valine amide moiety. chebi_ontology valinamide fungicides CHEBI:87029 valinamide fungicide valinamide fungicides ChEBI An organic aromatic compound that has been used as a fungicide. chebi_ontology aromatic fungicides CHEBI:87034 aromatic fungicide aromatic fungicides ChEBI Compounds that contain a benzimidazole moiety as a key feature of their structure and which have been used as fungicides. chebi_ontology benzimidazole fungicides CHEBI:87036 benzimidazole fungicide benzimidazole fungicides ChEBI Any organic aromatic compound containing two phenyl (or substituted phenyl) groups attached to a single carbon or heteroatom and which has been used as a fungicide. chebi_ontology bridged diphenyl fungicides CHEBI:87039 bridged diphenyl fungicide bridged diphenyl fungicides ChEBI Compounds that contain a carbamate ester moiety as a key feature of their structure and which have been used as fungicides. chebi_ontology carbamate fungicides CHEBI:87061 carbamate fungicide carbamate fungicides ChEBI Any carbamate fungicide that contains a benzimidazolyl group attached to the nitrogen of the carbamate moiety. chebi_ontology benzimidazolylcarbamate fungicides CHEBI:87064 benzimidazolylcarbamate fungicide benzimidazolylcarbamate fungicides ChEBI Any carbamate fungicide that has a phenyl or substituted-phenyl group attached to the nitrogen of the carbamate group. chebi_ontology carbanilate fungicides CHEBI:87066 carbanilate fungicide carbanilate fungicides ChEBI Any conazole antifungal agent that has been used as a fungicide. chebi_ontology conazole fungicides CHEBI:87067 conazole fungicide conazole fungicides ChEBI Any imidazole antifungal agent that has been used as a fungicide. chebi_ontology imidazole fungicides CHEBI:87068 imidazole fungicide imidazole fungicides ChEBI Any imidazole antifungal agent that has been used for the treatment of fungal infections in humans or animals. chebi_ontology imidazole antifungal drugs CHEBI:87069 imidazole antifungal drug imidazole antifungal drugs ChEBI 0 C21H25N3O2S InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 URKOMYMAXPYINW-UHFFFAOYSA-N 383.50700 383.16675 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 CAS:111974-69-7 DrugBank:DB01224 Drug_Central:2337 KEGG:C07397 KEGG:D08456 LINCS:LSM-3543 Patent:EP240228 Patent:US4879288 Wikipedia:Quetiapine 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol Quetiapine chebi_ontology 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol quetiapina quetiapine quetiapinum CHEBI:8707 quetiapine CAS:111974-69-7 ChemIDplus Drug_Central:2337 DrugCentral 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol IUPAC Quetiapine KEGG_COMPOUND 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol KEGG_COMPOUND quetiapina ChEBI quetiapine ChEBI quetiapinum ChEBI Any conazole antifungal agent that has been used for the treatment of fungal infections in animals or humans. chebi_ontology conazole antifungal drugs CHEBI:87071 conazole antifungal drug conazole antifungal drugs ChEBI An organic sodium salt having 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate as the counterion. 0 C17H13N2NaO5S InChI=1S/C17H14N2O5S.Na/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1 ZXGIHDNEIWPDFW-UHFFFAOYSA-M 380.35000 380.04429 [Na+].COc1ccccc1N=Nc1cc(c2ccccc2c1O)S([O-])(=O)=O CAS:5858-39-9 PMID:17674821 PMID:18814899 PMID:20489268 Reaxys:14390799 sodium 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate chebi_ontology Acid Eosine G Amacid Eosine Azo Eosine Azoeosin C.I. 14710 C.I. Acid Red 4 C.I. Acid Red 4, monosodium salt Calcocid Eosine G Curol Red B Erio Fast Scarlet B Fast Acid Red E Fenazo Red E Kiton Eosine GC Metamine Fast Acid Red N NSC 47706 azo-eosin azoeosin G CHEBI:87094 acid red 4 CAS:5858-39-9 ChemIDplus PMID:17674821 Europe PMC PMID:18814899 Europe PMC PMID:20489268 Europe PMC Reaxys:14390799 Reaxys sodium 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate IUPAC Acid Eosine G ChemIDplus Amacid Eosine ChemIDplus Azo Eosine ChemIDplus Azoeosin ChemIDplus C.I. 14710 ChEBI C.I. Acid Red 4 ChemIDplus C.I. Acid Red 4, monosodium salt ChemIDplus Calcocid Eosine G ChemIDplus Curol Red B ChemIDplus Erio Fast Scarlet B ChemIDplus Fast Acid Red E ChemIDplus Fenazo Red E ChemIDplus Kiton Eosine GC ChemIDplus Metamine Fast Acid Red N ChemIDplus NSC 47706 ChemIDplus azo-eosin ChEBI azoeosin G ChEBI A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid carrying additional hydroxy and (2-methoxyphenyl)diazenyl substituents at positions 4 and 3 respectively. The sodium salt is the biological stain 'acid red 4'. 0 C17H14N2O5S InChI=1S/C17H14N2O5S/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+ JRLHFEXLBNGRJO-VHEBQXMUSA-N 358.36800 358.06234 COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S(O)(=O)=O Reaxys:7348371 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid chebi_ontology acid red 4 (free acid form) CHEBI:87098 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid Reaxys:7348371 Reaxys 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid IUPAC acid red 4 (free acid form) ChEBI An organosulfonate oxoanion obtained by deprotonation of the sulfo group of 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid. -1 C17H13N2O5S InChI=1S/C17H14N2O5S/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20/h2-10,20H,1H3,(H,21,22,23)/p-1/b19-18+ JRLHFEXLBNGRJO-VHEBQXMUSA-M 357.36100 357.05507 COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S([O-])(=O)=O 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate chebi_ontology acid red 4(1-) CHEBI:87099 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate IUPAC acid red 4(1-) ChEBI Any triazole antifungal agent that has been used as a fungicide. chebi_ontology triazole fungicides CHEBI:87100 triazole fungicide triazole fungicides ChEBI Any triazole antifungal agent that has been used for the treatment of fungal infections in humans or animals. chebi_ontology triazole antifungal drugs CHEBI:87101 triazole antifungal drug triazole antifungal drugs ChEBI Any antibiotic antifungal agent used to treat fungal infections in humans or animals. chebi_ontology antibiotic antifungal drugs CHEBI:87113 antibiotic antifungal drug antibiotic antifungal drugs ChEBI Any antibiotic antifungal agent that has been used as a fungicide. chebi_ontology antibiotic fungicides CHEBI:87114 antibiotic fungicide antibiotic fungicides ChEBI A member of the class of morpholines that has significant antifungal properties. chebi_ontology morpholine antifungal agents CHEBI:87132 morpholine antifungal agent morpholine antifungal agents ChEBI Any morpholine antifungal agent used as a fungicide. chebi_ontology morpholine fungicides CHEBI:87134 morpholine fungicide morpholine fungicides ChEBI Any dicarboximide antifungal agent used as a fungicide. chebi_ontology dicarboximide fungicides CHEBI:87195 dicarboximide fungicide dicarboximide fungicides ChEBI A dicarboximide fungicide in which the nitrogen of the dicarboximide group is substituted by a dichlorophenyl group. chebi_ontology dichlorophenyl dicarboximide fungicides CHEBI:87197 dichlorophenyl dicarboximide fungicide dichlorophenyl dicarboximide fungicides ChEBI A dicarboximide fungicide whose structure contains a phthalimide derivative. chebi_ontology phthalimide fungicides CHEBI:87198 phthalimide fungicide phthalimide fungicides ChEBI A compound that has significant antifungal properties whose structure contains a dicarboximide moiety. chebi_ontology dicarboximide antifungal agents CHEBI:87200 dicarboximide antifungal agent dicarboximide antifungal agents ChEBI A member of the class of pyrimidines that has significant antifungal properties. chebi_ontology pyrimidine antifungal agents CHEBI:87204 pyrimidine antifungal agent pyrimidine antifungal agents ChEBI Any pyrimidine antifungal agent that has been used as a fungicide. chebi_ontology pyrimidine fungicides CHEBI:87207 pyrimidine fungicide pyrimidine fungicides ChEBI Any pyrimidine fungicide in which the pyrimidine ring is substituted by the nitrogen of an aniline moiety. chebi_ontology anilinopyrimidine fungicides CHEBI:87208 anilinopyrimidine fungicide anilinopyrimidine fungicides ChEBI An organonitrogen heterocyclic antibiotic containing a quinolone (or quinolone-like) moiety and which have a fluorine atom attached to the central ring system. PMID:24947193 PMID:25226071 PMID:8386356 chebi_ontology fluoroquinolone antibiotics CHEBI:87211 fluoroquinolone antibiotic PMID:24947193 Europe PMC PMID:25226071 Europe PMC PMID:8386356 Europe PMC fluoroquinolone antibiotics ChEBI A class of sulfonamides whose members generally have bacteriostatic antibiotic properties. PMID:24443047 PMID:24928456 PMID:25064257 PMID:25796473 PMID:26177406 Wikipedia:Sulfonamide_(medicine) chebi_ontology sulfonamide antibiotics sulfonamide antimicrobial agent sulfonamide antimicrobial agents sulphonamide antibiotic sulphonamide antibiotics CHEBI:87228 sulfonamide antibiotic PMID:24443047 Europe PMC PMID:24928456 Europe PMC PMID:25064257 Europe PMC PMID:25796473 Europe PMC PMID:26177406 Europe PMC sulfonamide antibiotics ChEBI sulfonamide antimicrobial agent ChEBI sulfonamide antimicrobial agents ChEBI sulphonamide antibiotic ChEBI sulphonamide antibiotics ChEBI 0 C16H21NO2 InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1 AQHHHDLHHXJYJD-CQSZACIVSA-N 259.34340 259.15723 CC(C)NC[C@@H](O)COc1cccc2ccccc12 Beilstein:4140099 CAS:5051-22-9 DrugBank:DB00571 KEGG:C11193 LINCS:LSM-5972 (2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol chebi_ontology (+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol (+)-Propranolol 2R-Propranolol D-Propranolol Dexpropranolol Dextropropranolol R (+)-Propanolol R-(+)-Propranolol dexpropranolol dexpropranololum CHEBI:8736 (R)-(+)-propranolol Beilstein:4140099 Beilstein CAS:5051-22-9 ChemIDplus CAS:5051-22-9 KEGG COMPOUND (2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol IUPAC (+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol ChemIDplus (+)-Propranolol ChemIDplus 2R-Propranolol ChemIDplus D-Propranolol ChemIDplus Dexpropranolol KEGG_COMPOUND Dextropropranolol ChemIDplus R (+)-Propanolol KEGG_COMPOUND R-(+)-Propranolol KEGG_COMPOUND dexpropranolol ChEBI dexpropranolol WHO_MedNet dexpropranololum WHO_MedNet An acetate ester of pentanol. 0 C7H14O2 InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 PGMYKACGEOXYJE-UHFFFAOYSA-N 130.18490 130.09938 CCCCCOC(C)=O CAS:628-63-7 Reaxys:1744753 pentyl acetate chebi_ontology Amyl acetic ester amyl acetate CHEBI:87362 pentyl acetate CAS:628-63-7 ChemIDplus CAS:628-63-7 NIST Chemistry WebBook Reaxys:1744753 Reaxys pentyl acetate IUPAC pentyl acetate UniProt Amyl acetic ester NIST_Chemistry_WebBook amyl acetate ChEBI 0 C13H21NO3 InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 NDAUXUAQIAJITI-LBPRGKRZSA-N 239.31070 239.15214 CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 Beilstein:5741175 CAS:34391-04-3 Drug_Central:1575 KEGG:C11770 KEGG:D08124 LINCS:LSM-5480 PDBeChem:68H Wikipedia:Levalbuterol 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol chebi_ontology (-)-Albuterol (-)-Salbutamol (R)-albuterol Levalbuterol Levosalbutamol R-Salbutamol CHEBI:8746 (R)-salbutamol Beilstein:5741175 Beilstein CAS:34391-04-3 ChemIDplus CAS:34391-04-3 KEGG COMPOUND Drug_Central:1575 DrugCentral 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol IUPAC (-)-Albuterol ChemIDplus (-)-Salbutamol ChemIDplus (R)-albuterol ChEBI Levalbuterol KEGG_COMPOUND Levosalbutamol ChemIDplus R-Salbutamol KEGG_COMPOUND chebi_ontology CHEBI:87485 auramine O(1+) Any organooxygen compound whose structure is related to compactin (mevastatin) and which may be used as an anticholesteremic drug due its EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitory properties. PMID:1464741 PMID:15531285 PMID:20467214 PMID:25488134 PMID:25655639 PMID:25808421 PMID:25894795 PMID:26002574 Wikipedia:Statin chebi_ontology statins CHEBI:87631 statin PMID:1464741 Europe PMC PMID:15531285 Europe PMC PMID:20467214 Europe PMC PMID:25488134 Europe PMC PMID:25655639 Europe PMC PMID:25808421 Europe PMC PMID:25894795 Europe PMC PMID:26002574 Europe PMC statins ChEBI Any statin that occurs in nature. The class includes compactin (also known as mevastatin), isolated from a fermentation broth of Penicillium citrinum, and lovastatin, isolated from Aspergillus terreus. PMID:1464741 PMID:20467214 PMID:21697731 PMID:22060290 PMID:22302254 Patent:WO9832751 chebi_ontology naturally occurring statin naturally occurring statins statins (naturally occurring) CHEBI:87632 statin (naturally occurring) PMID:1464741 Europe PMC PMID:20467214 Europe PMC PMID:21697731 Europe PMC PMID:22060290 Europe PMC PMID:22302254 Europe PMC naturally occurring statin ChEBI naturally occurring statins ChEBI statins (naturally occurring) ChEBI A statin that is derived from a naturally occurring statin by partial chemical synthesis. PMID:1464741 PMID:20467214 chebi_ontology semi-synthetic statin semi-synthetic statins statins (semi-synthetic) CHEBI:87633 statin (semi-synthetic) PMID:1464741 Europe PMC PMID:20467214 Europe PMC semi-synthetic statin ChEBI semi-synthetic statins ChEBI statins (semi-synthetic) ChEBI A statin which does not occur naturally and which is not obtained by chemical transformation of a naturally occurring statin. PMID:11464449 PMID:1464741 PMID:16059807 PMID:20467214 chebi_ontology statins (synthetic) synthetic statin synthetic statins CHEBI:87635 statin (synthetic) PMID:11464449 Europe PMC PMID:1464741 Europe PMC PMID:16059807 Europe PMC PMID:20467214 Europe PMC statins (synthetic) ChEBI synthetic statin ChEBI synthetic statins ChEBI A fatty acid ester obtained by condensation of the carboxy group of tetradecanoic acid (also known as myristic acid) with a hydroxy group of an alcohol or phenol. 0 C14H27O2R 227.364 227.20111 C(CCCCCCCCCC)CCC(O*)=O PMID:26212120 chebi_ontology a tetradecanoate ester myristate ester myristate esters tetradecanoate esters CHEBI:87691 tetradecanoate ester PMID:26212120 SUBMITTER a tetradecanoate ester UniProt myristate ester SUBMITTER myristate esters ChEBI tetradecanoate esters ChEBI A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. 0 C19H16O4 InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N 308.329 308.10486 C1=CC=CC2=C1C(=C(C(O2)=O)C(CC(C)=O)C3=CC=CC=C3)O LINCS:LSM-1405 PPDB:681 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one chebi_ontology CHEBI:87732 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one IUPAC A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (R)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide). 0 C19H16O4 InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1 PJVWKTKQMONHTI-OAHLLOKOSA-N 308.329 308.10486 C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)O CHEBI:45582 CAS:5543-58-8 PDBeChem:RWF PMID:21949493 PMID:22493814 PMID:24962085 PMID:26142522 PMID:26161443 PMID:7354137 Reaxys:4298023 4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one chebi_ontology (+)-warfarin (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one 4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-chromen-2-one Dextrowarfarin CHEBI:87737 (R)-warfarin CAS:5543-58-8 ChemIDplus PMID:21949493 Europe PMC PMID:22493814 Europe PMC PMID:24962085 Europe PMC PMID:26142522 Europe PMC PMID:26161443 Europe PMC PMID:7354137 Europe PMC Reaxys:4298023 Reaxys 4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one IUPAC (+)-warfarin ChEBI (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone ChemIDplus (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one ChemIDplus 4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-chromen-2-one PDBeChem Dextrowarfarin ChemIDplus A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (S)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide). 0 C19H16O4 InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1 PJVWKTKQMONHTI-HNNXBMFYSA-N 308.329 308.10486 C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)O CHEBI:45816 CAS:5543-57-7 LINCS:LSM-5404 PDBeChem:SWF PMID:21949493 PMID:22493814 PMID:24962085 PMID:26142522 PMID:26161443 PMID:7354137 Reaxys:4298024 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one chebi_ontology (-)-Warfarin (S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one levrowarfarin CHEBI:87738 (S)-warfarin CAS:5543-57-7 ChemIDplus PMID:21949493 Europe PMC PMID:22493814 Europe PMC PMID:24962085 Europe PMC PMID:26142522 Europe PMC PMID:26161443 Europe PMC PMID:7354137 Europe PMC Reaxys:4298024 Reaxys 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one IUPAC (-)-Warfarin ChemIDplus (S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone ChemIDplus 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one PDBeChem levrowarfarin ChEBI An organic anion that is the conjugate base of (R)-warfarin, obtained by deprotonation of the hydroxy group. -1 C19H15O4 InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m1/s1 PJVWKTKQMONHTI-OAHLLOKOSA-M 307.321 307.09758 C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)[O-] 2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate chebi_ontology CHEBI:87743 (R)-warfarin(1-) 2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate IUPAC An organic anion that is the conjugate base of (S)-warfarin, obtained by deprotonation of the hydroxy group. -1 C19H15O4 InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m0/s1 PJVWKTKQMONHTI-HNNXBMFYSA-M 307.321 307.09758 C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)[O-] 2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate chebi_ontology (S)-warfarin CHEBI:87744 (S)-warfarin(1-) 2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate IUPAC (S)-warfarin UniProt A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans. 0 C5H10O InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 FDPIMTJIUBPUKL-UHFFFAOYSA-N 86.132 86.07316 C(CC)(CC)=O CHEBI:67886 CAS:96-22-0 PMID:21486009 Reaxys:635749 Wikipedia:3-Pentanone pentan-3-one chebi_ontology Ethyl propionyl diethyl ketone CHEBI:87755 pentan-3-one CAS:96-22-0 ChemIDplus CAS:96-22-0 NIST Chemistry WebBook PMID:21486009 Europe PMC Reaxys:635749 Reaxys pentan-3-one IUPAC pentan-3-one UniProt Ethyl propionyl ChEBI diethyl ketone ChEBI A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease. 0 C13H22N4O3S InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N 314.40400 314.14126 CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O Beilstein:4327819 CAS:66357-35-5 DrugBank:DB00863 HMDB:HMDB0001930 KEGG:D00422 PMID:18609122 PMID:19694603 Patent:FR2384765 Patent:US4128658 Reaxys:4327819 Wikipedia:Ranitidine (E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine chebi_ontology ranitidina ranitidine ranitidinum CHEBI:8776 ranitidine Beilstein:4327819 Beilstein CAS:66357-35-5 ChemIDplus PMID:18609122 Europe PMC PMID:19694603 Europe PMC Reaxys:4327819 Reaxys (E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine IUPAC ranitidina ChemIDplus ranitidine ChemIDplus ranitidinum ChemIDplus Any toxin produced by cyanobacteria (blue-green algae). Wikipedia:Cyanotoxin chebi_ontology cyanotoxins CHEBI:88048 cyanotoxin cyanotoxins ChEBI Any organic amino compound that contains two or more amino groups. Wikipedia:Polyamine chebi_ontology polyamines CHEBI:88061 polyamine polyamines ChEBI 0 C22H26O3 InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3 VEMKTZHHVJILDY-UHFFFAOYSA-N 338.44004 338.18819 CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C Beilstein:1351757 CAS:10453-86-8 KEGG:C10991 KEGG:D08475 LINCS:LSM-1846 PPDB:585 (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Resmethrin chebi_ontology (5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate 5-Benzyl-3-furylmethyl (+-)-cis,trans-chrysanthemate 5-Benzyl-3-furylmethyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate CHEBI:8811 resmethrin Beilstein:1351757 Beilstein CAS:10453-86-8 ChemIDplus CAS:10453-86-8 KEGG COMPOUND (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC Resmethrin KEGG_COMPOUND (5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate ChemIDplus 5-Benzyl-3-furylmethyl (+-)-cis,trans-chrysanthemate ChemIDplus 5-Benzyl-3-furylmethyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate ChemIDplus An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion. 0 C27H34N2O4S InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 NNBFNNNWANBMTI-UHFFFAOYSA-M 482.637 482.22393 C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC.OS([O-])(=O)=O CAS:633-03-4 PMID:25286113 PMID:25286114 PMID:25514135 PMID:26177467 PMID:26231977 PMID:26291760 PMID:26318700 PMID:26392090 Wikipedia:Brilliant_Green_(dye) 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate chebi_ontology (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate Basic green 1 C.I. 42040 C.I. Basic Green 1 Malachite green G CHEBI:88173 brilliant green CAS:633-03-4 ChemIDplus PMID:25286113 Europe PMC PMID:25286114 Europe PMC PMID:25514135 Europe PMC PMID:26177467 Europe PMC PMID:26231977 Europe PMC PMID:26291760 Europe PMC PMID:26318700 Europe PMC PMID:26392090 Europe PMC 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate IUPAC (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate ChemIDplus Basic green 1 ChEBI C.I. 42040 ChEBI C.I. Basic Green 1 ChemIDplus Malachite green G ChEBI An organic salt containing hydrogensulfate as the anionic component. chebi_ontology organic hydrogensulfates CHEBI:88175 organic hydrogensulfate salt organic hydrogensulfates ChEBI An iminium ion that is the cationic component of the histological dye 'brilliant green'. +1 C27H33N2 InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1 HXCILVUBKWANLN-UHFFFAOYSA-N 385.565 385.26383 C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC Drug_Central:4665 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chebi_ontology brilliant green(1+) CHEBI:88176 brilliant green cation Drug_Central:4665 DrugCentral 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium IUPAC brilliant green(1+) ChEBI Any metal which causes the onset of an allergic reaction. chebi_ontology allergenic metal allergenic metals metal allergens CHEBI:88184 metal allergen allergenic metal ChEBI allergenic metals ChEBI metal allergens ChEBI Any drug which causes the onset of an allergic reaction. chebi_ontology allergenic drug CHEBI:88188 drug allergen allergenic drug ChEBI An organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods. 0 C29H19N5Na2O8S2 InChI=1S/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-31+,34-33+;; UFUQRRYHIHJMPB-DUCFOALUSA-L 675.603 675.04704 C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O.[Na+].[Na+] CAS:2610-11-9 PMID:20060376 PMID:22585524 PMID:24734585 PMID:24809499 PMID:25649265 PMID:26074308 PMID:26417357 Reaxys:3894142 disodium 7-benzamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate chebi_ontology C.I. 28160 C.I. Direct Red 81 C.I. Direct Red 81 disodium salt Chlorantine fast red 5B Direct red 81 Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate Solaminrot 4B CHEBI:88191 Sirius red 4B CAS:2610-11-9 ChemIDplus PMID:20060376 Europe PMC PMID:22585524 Europe PMC PMID:24734585 Europe PMC PMID:24809499 Europe PMC PMID:25649265 Europe PMC PMID:26074308 Europe PMC PMID:26417357 Europe PMC Reaxys:3894142 Reaxys disodium 7-benzamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate IUPAC C.I. 28160 ChEBI C.I. Direct Red 81 ChemIDplus C.I. Direct Red 81 disodium salt ChemIDplus Chlorantine fast red 5B ChEBI Direct red 81 ChEBI Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate ChemIDplus Solaminrot 4B ChemIDplus A naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'. 0 C29H21N5O8S2 InChI=1S/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)/b32-31+,34-33+ IGXZMQCLUNTWCC-HSBKYFPUSA-N 631.639 631.08316 C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(C=5C=CC=CC5)=O CAS:25188-42-5 7-benzamido-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid chebi_ontology 7-(Benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenesulfonic acid Direct Red 81 (acid form) Direct Red 81 free acid Sirius red 4B free acid Solaminrot 4B (acid form) Solaminrot 4B free acid CHEBI:88192 Sirius red 4B (acid form) CAS:25188-42-5 ChemIDplus 7-benzamido-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid IUPAC 7-(Benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenesulfonic acid ChemIDplus Direct Red 81 (acid form) ChEBI Direct Red 81 free acid ChEBI Sirius red 4B free acid ChEBI Solaminrot 4B (acid form) ChEBI Solaminrot 4B free acid ChEBI An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red 4B (acid form). -2 C29H19N5O8S2 InChI=1S/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)/p-2/b32-31+,34-33+ IGXZMQCLUNTWCC-HSBKYFPUSA-L 629.623 629.06860 C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O 7-benzamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate chebi_ontology Sirius red 4B dianion CHEBI:88193 Sirius red 4B(2-) 7-benzamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate IUPAC Sirius red 4B dianion ChEBI An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. 0 O4Os InChI=1S/4O.Os VUVGYHUDAICLFK-UHFFFAOYSA-N 254.222 255.94114 O=[Os](=O)(=O)=O CAS:20816-12-0 PMID:12530969 PMID:23975065 PMID:25871651 Reaxys:11406415 Wikipedia:Osmium_tetroxide tetraoxoosmium chebi_ontology Osmic acid Osmic acid anhydride Osmium oxide Osmium tetraoxide Perosmic acid anhydride Perosmic oxide CHEBI:88215 osmium tetroxide CAS:20816-12-0 ChemIDplus CAS:20816-12-0 NIST Chemistry WebBook PMID:12530969 Europe PMC PMID:23975065 Europe PMC PMID:25871651 Europe PMC Reaxys:11406415 Reaxys tetraoxoosmium IUPAC Osmic acid ChemIDplus Osmic acid anhydride ChemIDplus Osmium oxide ChemIDplus Osmium tetraoxide ChemIDplus Perosmic acid anhydride ChemIDplus Perosmic oxide ChemIDplus Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). PMID:24830781 PMID:25727221 PMID:25793774 PMID:25896709 Wikipedia:Autophagy chebi_ontology autophagocytosis inhibitor autophagocytosis inhibitors autophagy inhibitors CHEBI:88230 autophagy inhibitor PMID:24830781 Europe PMC PMID:25727221 Europe PMC PMID:25793774 Europe PMC PMID:25896709 Europe PMC autophagocytosis inhibitor ChEBI autophagocytosis inhibitors ChEBI autophagy inhibitors ChEBI A mononitrophenol that is 4-nitrophenol and its derivatives resulting from substitution of one or more of the hydrogens attached to the benzene ring by a non-nitro group. chebi_ontology p-nitrophenols CHEBI:88306 4-nitrophenols p-nitrophenols ChEBI 0 C7H14O InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3 FFWSICBKRCICMR-UHFFFAOYSA-N 114.186 114.10447 CC(C)CCC(C)=O CAS:110-12-3 HMDB:HMDB0031549 PMID:17314143 PMID:24023812 PMID:24421258 5-Methyl-2-Hexanone 5-methylhexan-2-one chebi_ontology (CH3)2CHCH2CH2COCH3 2-Methyl-5-Hexanone 2-hexanone-5-methyl 5-Methylhexan-2-one 5-Methylhexan-2-one [UN2302] [Flammable liquid] Isoamyl methyl ketone Isobutylacetone Isopentyl methyl ketone Ketone, methyl isoamyl MIAK Methyl isoamyl ketone Methyl isopentyl ketone CHEBI:88432 5-methyl-2-hexanone CAS:110-12-3 KEGG COMPOUND PMID:17314143 Europe PMC PMID:24023812 Europe PMC PMID:24421258 Europe PMC 5-Methyl-2-Hexanone HMDB 5-methylhexan-2-one IUPAC (CH3)2CHCH2CH2COCH3 HMDB 2-Methyl-5-Hexanone HMDB 2-hexanone-5-methyl HMDB 5-Methylhexan-2-one HMDB 5-Methylhexan-2-one [UN2302] [Flammable liquid] HMDB Isoamyl methyl ketone HMDB Isobutylacetone HMDB Isopentyl methyl ketone HMDB Ketone, methyl isoamyl HMDB MIAK HMDB Methyl isoamyl ketone HMDB Methyl isopentyl ketone HMDB CAS:9009-86-3 KEGG:C01362 Ricin chebi_ontology CHEBI:8852 Ricin CAS:9009-86-3 KEGG COMPOUND Ricin KEGG_COMPOUND 0 C11H14O3 InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3 QFOHBWFCKVYLES-UHFFFAOYSA-N 194.227 194.09429 CCCCOC(C1=CC=C(C=C1)O)=O CHEBI:31329 CAS:94-26-8 HMDB:HMDB0032575 KEGG:D01420 LINCS:LSM-2161 PMID:18294789 chebi_ontology 4-(Butoxycarbonyl)phenol 4-Hydroxybenzoic acid butyl ester 4-Hydroxybenzoic acid, butyl ester Aseptoform butyl Benzoic acid, 4-hydroxy-, butyl ester Benzoic acid, p-hydroxy-, butyl ester Butoben Butyl //p//-hydroxybenzoate Butyl 4-hydroxybenzoate Butyl butex Butyl chemosept Butyl p-hydroxybenzoate Butyl par asept Butyl paraben Butyl parahydroxybenzoate Butyl parahydroxybenzoate (JP15) Butyl parahydroxybenzoate (TN) Butyl parasept Butyl tegosept Butyl-p-hydroxybenzoate Butyl-parasept Butylparaben (NF) Butylparaben (TN) Butylparaben [usan] FEMA 2203 Lexgard b N-Butyl 4-hydroxybenzoate N-Butyl hydroxybenzoate N-Butyl p-hydroxybenzoate N-Butyl paraben N-Butyl parahydroxybenzoate N-Butyl-4-hydroxybenzoate N-Butyl-p-hydroxybenzoate N-Butyl-paraben Nipabutyl P-Hydroxy butyl benzoate P-Hydroxybenzoic acid N-butyl ester P-Hydroxybenzoic acid butyl ester P-Hydroxybenzoic acid, butyl ester P-Hydroxybenzoic butyl ester Parasept Preserval b SPF Solbrol b Tegosept B Tegosept butyl butyl 4-hydroxybenzoate CHEBI:88542 Butylparaben CAS:94-26-8 KEGG COMPOUND PMID:18294789 Europe PMC 4-(Butoxycarbonyl)phenol HMDB 4-Hydroxybenzoic acid butyl ester HMDB 4-Hydroxybenzoic acid, butyl ester HMDB Aseptoform butyl HMDB Benzoic acid, 4-hydroxy-, butyl ester HMDB Benzoic acid, p-hydroxy-, butyl ester HMDB Butoben HMDB Butyl //p//-hydroxybenzoate HMDB Butyl 4-hydroxybenzoate HMDB Butyl butex HMDB Butyl chemosept HMDB Butyl p-hydroxybenzoate HMDB Butyl par asept HMDB Butyl paraben HMDB Butyl parahydroxybenzoate HMDB Butyl parahydroxybenzoate (JP15) HMDB Butyl parahydroxybenzoate (TN) HMDB Butyl parahydroxybenzoate (TN) KEGG_COMPOUND Butyl parasept HMDB Butyl tegosept HMDB Butyl-p-hydroxybenzoate HMDB Butyl-parasept HMDB Butylparaben (NF) HMDB Butylparaben (TN) HMDB Butylparaben (TN) KEGG_COMPOUND Butylparaben [usan] HMDB FEMA 2203 HMDB Lexgard b HMDB N-Butyl 4-hydroxybenzoate HMDB N-Butyl hydroxybenzoate HMDB N-Butyl p-hydroxybenzoate HMDB N-Butyl paraben HMDB N-Butyl parahydroxybenzoate HMDB N-Butyl-4-hydroxybenzoate HMDB N-Butyl-p-hydroxybenzoate HMDB N-Butyl-paraben HMDB Nipabutyl HMDB P-Hydroxy butyl benzoate HMDB P-Hydroxybenzoic acid N-butyl ester HMDB P-Hydroxybenzoic acid butyl ester HMDB P-Hydroxybenzoic acid, butyl ester HMDB P-Hydroxybenzoic butyl ester HMDB Parasept HMDB Preserval b HMDB SPF HMDB Solbrol b HMDB Tegosept B HMDB Tegosept butyl HMDB butyl 4-hydroxybenzoate HMDB A N-sulfonylurea that is N-carbamoyl-3-(ethylsulfonyl)pyridine-2-sulfonamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen atom. 0 C14H17N5O7S2 InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20) MEFOUWRMVYJCQC-UHFFFAOYSA-N 431.44400 431.05694 CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 AGR:IND500602179 CAS:122931-48-0 KEGG:C10952 PMID:23076614 PMID:24238286 PPDB:586 Pesticides:rimsulfuron Reaxys:7501778 N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide chebi_ontology CHEBI:8866 rimsulfuron AGR:IND500602179 Europe PMC CAS:122931-48-0 ChemIDplus CAS:122931-48-0 KEGG COMPOUND PMID:23076614 Europe PMC PMID:24238286 Europe PMC Pesticides:rimsulfuron Alan Wood's Pesticides Reaxys:7501778 Reaxys N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide IUPAC A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2. 0 C23H27FN4O2 InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 RAPZEAPATHNIPO-UHFFFAOYSA-N 410.48450 410.21180 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Beilstein:4891881 CAS:106266-06-2 DrugBank:DB00734 Drug_Central:2389 HMDB:HMDB0005020 KEGG:D00426 LINCS:LSM-3193 PMID:11229618 PMID:11476125 PMID:14687852 PMID:14728058 PMID:15096074 PMID:17054229 PMID:18545060 PMID:18722468 PMID:19412457 PMID:20825390 PMID:23327578 Patent:EP196132 Patent:US4804663 Reaxys:4891881 Wikipedia:Risperidone 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one risperidone chebi_ontology Risperdal Risperin Rispolept Rispolin Sequinan risperidona risperidone risperidonum CHEBI:8871 risperidone Beilstein:4891881 Beilstein CAS:106266-06-2 ChemIDplus CAS:106266-06-2 KEGG DRUG Drug_Central:2389 DrugCentral PMID:11229618 Europe PMC PMID:11476125 Europe PMC PMID:14687852 Europe PMC PMID:14728058 Europe PMC PMID:15096074 Europe PMC PMID:17054229 Europe PMC PMID:18545060 Europe PMC PMID:18722468 Europe PMC PMID:19412457 Europe PMC PMID:20825390 Europe PMC PMID:23327578 Europe PMC Reaxys:4891881 Reaxys 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one IUPAC risperidone IUPHAR Risperdal KEGG_DRUG Risperin DrugBank Rispolept DrugBank Rispolin DrugBank Sequinan DrugBank risperidona ChemIDplus risperidone KEGG_DRUG risperidone WHO_MedNet risperidonum ChemIDplus 0 C15H14O4 InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3 JDJPNKPFDDUBFV-UHFFFAOYSA-N 258.270 258.08921 O=C(C(C1=CC=C(O)C=C1)C)C2=C(O)C=C(O)C=C2 CAS:21255-69-6 HMDB:HMDB0004629 PMID:14698210 PMID:17449595 PMID:17506823 PMID:18326607 chebi_ontology 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one 2',4'-Dihydroxy-2-(p-hydroxyphenyl)-Propiophenone 2,4-Dihydroxyphenyl p-hydroxyphenethyl ketone O-Demethylangolensin O-Demethylangolesin CHEBI:88902 O-Desmethylangolensin CAS:21255-69-6 KEGG COMPOUND PMID:14698210 Europe PMC PMID:17449595 Europe PMC PMID:17506823 Europe PMC PMID:18326607 Europe PMC 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one HMDB 2',4'-Dihydroxy-2-(p-hydroxyphenyl)-Propiophenone HMDB 2,4-Dihydroxyphenyl p-hydroxyphenethyl ketone HMDB O-Demethylangolensin HMDB O-Demethylangolesin HMDB A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups. 0 C6H8O InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3 GSNUFIFRDBKVIE-UHFFFAOYSA-N 96.129 96.05751 CC1=CC=C(C)O1 CAS:625-86-5 Chemspider:11763 FooDB:FDB011193 HMDB:HMDB0033182 PMID:19167006 PMID:22284503 PMID:29697832 PMID:31679033 PMID:32181345 PMID:32628126 PMID:32940953 PMID:33026027 PMID:33166122 PMID:33216911 PMID:33230799 PMID:33284506 PMID:33300904 PMID:33496041 PMID:33496700 PMID:33572680 PMID:33772878 PMID:6852931 Wikipedia:2,5-Dimethylfuran 2,5-dimethylfuran chebi_ontology 2,5-dimethyl-furan 2,5-dimethylfurane CHEBI:89052 2,5-dimethylfuran CAS:625-86-5 ChemIDplus CAS:625-86-5 NIST Chemistry WebBook PMID:19167006 Europe PMC PMID:22284503 Europe PMC PMID:29697832 Europe PMC PMID:31679033 Europe PMC PMID:32181345 Europe PMC PMID:32628126 Europe PMC PMID:32940953 Europe PMC PMID:33026027 Europe PMC PMID:33166122 Europe PMC PMID:33216911 Europe PMC PMID:33230799 Europe PMC PMID:33284506 Europe PMC PMID:33300904 Europe PMC PMID:33496041 Europe PMC PMID:33496700 Europe PMC PMID:33572680 Europe PMC PMID:33772878 Europe PMC PMID:6852931 Europe PMC 2,5-dimethylfuran IUPAC 2,5-dimethyl-furan HMDB 2,5-dimethylfurane NIST_Chemistry_WebBook 0 C9H18O InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3 PTTPXKJBFFKCEK-UHFFFAOYSA-N 142.239 142.13577 O=C(CC(C)C)CC(C)C CAS:626-33-5 HMDB:HMDB0013821 2-methyl-4-heptanone chebi_ontology 2,6-dimethylheptan-4-one 2-Methylheptan-4-one 4-Heptanone, 2-methyl- Isobutyl N-propyl ketone Isobutyl propyl ketone CHEBI:89195 2-Methyl-4-heptanone CAS:626-33-5 KEGG COMPOUND 2-methyl-4-heptanone HMDB 2,6-dimethylheptan-4-one HMDB 2-Methylheptan-4-one HMDB 4-Heptanone, 2-methyl- HMDB Isobutyl N-propyl ketone HMDB Isobutyl propyl ketone HMDB A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group. 0 C7H14O InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 HCFAJYNVAYBARA-UHFFFAOYSA-N 114.186 114.10447 O=C(CCC)CCC AGR:IND80034656 CAS:123-19-3 HMDB:HMDB0004814 KNApSAcK:C00035501 PMID:11282094 PMID:15195467 PMID:15280519 PMID:18803420 PMID:24591313 PMID:25818559 PMID:26055441 PMID:27060700 PMID:27236897 PMID:27241792 PMID:27347408 PMID:27779841 PMID:27997626 PMID:28254044 PMID:28633145 PMID:6853657 Reaxys:1699049 Wikipedia:4-Heptanone heptan-4-one chebi_ontology 4-Oxoheptane Butyrone Di-n-propyl ketone Dipropyl ketone Propyl ketone heptan-4-one CHEBI:89484 4-heptanone AGR:IND80034656 Europe PMC CAS:123-19-3 ChemIDplus CAS:123-19-3 NIST Chemistry WebBook PMID:11282094 Europe PMC PMID:15195467 Europe PMC PMID:15280519 Europe PMC PMID:18803420 Europe PMC PMID:24591313 Europe PMC PMID:25818559 Europe PMC PMID:26055441 Europe PMC PMID:27060700 Europe PMC PMID:27236897 Europe PMC PMID:27241792 Europe PMC PMID:27347408 Europe PMC PMID:27779841 Europe PMC PMID:27997626 Europe PMC PMID:28254044 Europe PMC PMID:28633145 Europe PMC PMID:6853657 Europe PMC Reaxys:1699049 Reaxys heptan-4-one IUPAC 4-Oxoheptane HMDB Butyrone HMDB Di-n-propyl ketone ChemIDplus Dipropyl ketone HMDB Propyl ketone ChemIDplus heptan-4-one UniProt An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. 0 C12H25NaO4S InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1 DBMJMQXJHONAFJ-UHFFFAOYSA-M 288.38027 288.13712 [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Beilstein:3599286 CAS:151-21-3 DrugBank:DB00815 Gmelin:117722 KEGG:C11166 KEGG:D01045 PMID:29079364 Sodium dodecyl sulfate chebi_ontology SDS SLS Sodium lauryl sulfate sodium dodecyl sulphate sodium dodecylsulfate sodium lauryl sulphate CHEBI:8984 sodium dodecyl sulfate Beilstein:3599286 Beilstein CAS:151-21-3 ChemIDplus CAS:151-21-3 KEGG COMPOUND Gmelin:117722 Gmelin PMID:29079364 Europe PMC Sodium dodecyl sulfate KEGG_COMPOUND SDS KEGG_COMPOUND SLS ChemIDplus Sodium lauryl sulfate KEGG_COMPOUND sodium dodecyl sulphate ChemIDplus sodium dodecylsulfate ChemIDplus sodium lauryl sulphate ChemIDplus A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. 0 C10H10O2 InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 ZMQAAUBTXCXRIC-UHFFFAOYSA-N 162.18520 162.06808 C=CCc1ccc2OCOc2c1 CAS:94-59-7 HMDB:HMDB0033591 KEGG:C10490 KNApSAcK:C00002771 PMID:14422 PMID:15334724 PMID:19656034 PMID:21089955 PMID:21173435 PMID:21591240 PMID:21863093 PMID:23112005 PMID:24150866 PMID:6191767 PMID:7030889 PMID:7806308 Reaxys:136380 Wikipedia:Safrole 5-allyl-1,3-benzodioxole chebi_ontology 1,2-methylenedioxy-4-allylbenzene 1-allyl-3,4-methylenedioxybenzene 3,4-(methylenedioxy)allylbenzene 3-(3,4-methylenedioxyphenyl)prop-1-ene 4-allyl-1,2-methylenedioxybenzene 4-allylpyrocatechol formaldehyde acetal 5-(2-propenyl)-1,3-benzodioxole 5-allyl-benzo[1,3]dioxole allylcatechol methylene ether m-allylpyrocatechin methylene ether safrol shikimol shikimole CHEBI:8994 safrole CAS:94-59-7 ChemIDplus CAS:94-59-7 KEGG COMPOUND CAS:94-59-7 NIST Chemistry WebBook PMID:14422 Europe PMC PMID:15334724 Europe PMC PMID:19656034 Europe PMC PMID:21089955 Europe PMC PMID:21173435 Europe PMC PMID:21591240 Europe PMC PMID:21863093 Europe PMC PMID:23112005 Europe PMC PMID:24150866 Europe PMC PMID:6191767 Europe PMC PMID:7030889 Europe PMC PMID:7806308 Europe PMC Reaxys:136380 Reaxys 5-allyl-1,3-benzodioxole IUPAC 1,2-methylenedioxy-4-allylbenzene ChemIDplus 1-allyl-3,4-methylenedioxybenzene ChemIDplus 3,4-(methylenedioxy)allylbenzene ChemIDplus 3-(3,4-methylenedioxyphenyl)prop-1-ene NIST_Chemistry_WebBook 4-allyl-1,2-methylenedioxybenzene ChemIDplus 4-allylpyrocatechol formaldehyde acetal ChemIDplus 5-(2-propenyl)-1,3-benzodioxole ChemIDplus 5-allyl-benzo[1,3]dioxole ChEBI allylcatechol methylene ether NIST_Chemistry_WebBook m-allylpyrocatechin methylene ether ChEBI safrol ChemIDplus shikimol ChemIDplus shikimole ChemIDplus 0 C6H10O InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 SHOJXDKTYKFBRD-UHFFFAOYSA-N 98.143 98.07316 CC(C)=CC(C)=O CAS:141-79-7 HMDB:HMDB0031563 PMID:17314143 PMID:24657864 chebi_ontology (CH3)2C=CHC(=O)CH3 1-Methylpent-2-en-4-one 2,2-Dimethylvinyl methyl ketone 2-Methyl-2-penten-4-one 2-Methyl-2-pentenone-4 2-Methyl-4-oxo-2-pentene 3-Isohexen-2-one 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE 4-Methyl-3-Penten-2-one 4-Methyl-3-penten-2-on 4-Methyl-3-penten-2-one (mesityl oxide) 4-Methyl-3-pentene-2-one 4-Methylpent-3-en-2-one 4-Metil-3-penten-2-one 4-methylpent-3-en-2-one FEMA 3368 Isobutenyl methyl ketone Isopropylidene acetone Isopropylidene-Acetone Isopropylideneacetone Mesityl oxide Mesityl oxide [UN1229] [Flammable liquid] Mesityloxid Mesityloxid(german) Mesityloxyde Methyl 2,2-dimethylvinyl ketone Methyl 2-methyl-1-propenyl ketone Methyl isobutenyl ketone Ossido di mesitile Oxyde de mesityle CHEBI:89993 4-Methyl-3-penten-2-one, 9CI CAS:141-79-7 KEGG COMPOUND PMID:17314143 Europe PMC PMID:24657864 Europe PMC (CH3)2C=CHC(=O)CH3 HMDB 1-Methylpent-2-en-4-one HMDB 2,2-Dimethylvinyl methyl ketone HMDB 2-Methyl-2-penten-4-one HMDB 2-Methyl-2-pentenone-4 HMDB 2-Methyl-4-oxo-2-pentene HMDB 3-Isohexen-2-one HMDB 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE HMDB 4-Methyl-3-Penten-2-one HMDB 4-Methyl-3-penten-2-on HMDB 4-Methyl-3-penten-2-one (mesityl oxide) HMDB 4-Methyl-3-pentene-2-one HMDB 4-Methylpent-3-en-2-one HMDB 4-Metil-3-penten-2-one HMDB 4-methylpent-3-en-2-one HMDB FEMA 3368 HMDB Isobutenyl methyl ketone HMDB Isopropylidene acetone HMDB Isopropylidene-Acetone HMDB Isopropylideneacetone HMDB Mesityl oxide HMDB Mesityl oxide [UN1229] [Flammable liquid] HMDB Mesityloxid HMDB Mesityloxid(german) HMDB Mesityloxyde HMDB Methyl 2,2-dimethylvinyl ketone HMDB Methyl 2-methyl-1-propenyl ketone HMDB Methyl isobutenyl ketone HMDB Ossido di mesitile HMDB Oxyde de mesityle HMDB An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1). Wikipedia:Pyruvate_carboxylase chebi_ontology EC 6.4.1.1 (pyruvate carboxylase) inhibitors EC 6.4.1.1 inhibitor EC 6.4.1.1 inhibitors pyruvate carboxylase (EC 6.4.1.1) inhibitor pyruvate carboxylase (EC 6.4.1.1) inhibitors pyruvate carboxylase inhibitor pyruvate carboxylase inhibitors pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors pyruvic carboxylase inhibitor pyruvic carboxylase inhibitors CHEBI:90318 EC 6.4.1.1 (pyruvate carboxylase) inhibitor EC 6.4.1.1 (pyruvate carboxylase) inhibitors ChEBI EC 6.4.1.1 inhibitor ChEBI EC 6.4.1.1 inhibitors ChEBI pyruvate carboxylase (EC 6.4.1.1) inhibitor ChEBI pyruvate carboxylase (EC 6.4.1.1) inhibitors ChEBI pyruvate carboxylase inhibitor ChEBI pyruvate carboxylase inhibitors ChEBI pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor ChEBI pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors ChEBI pyruvic carboxylase inhibitor ChEBI pyruvic carboxylase inhibitors ChEBI An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by chlorines while the third has been replaced by a hexanoyl group. It is the immediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). DIF-1 is released by developing Dictyostelium amoebae, inducing them to differentiate into stalk cells. 0 C12H14Cl2O4 InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6(15)7-10(16)8(13)12(18)9(14)11(7)17/h16-18H,2-5H2,1H3 WLWLDMLTAFSEDI-UHFFFAOYSA-N 293.143 292.02691 C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)O CAS:118222-71-2 PMID:9446571 Reaxys:10184570 1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one chebi_ontology 3,5-dichloro-THPH Cl2-THPH dichloro-THPH CHEBI:90396 (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one CAS:118222-71-2 Reaxys PMID:9446571 SUBMITTER Reaxys:10184570 Reaxys 1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one IUPAC 3,5-dichloro-THPH SUBMITTER Cl2-THPH ChEBI dichloro-THPH ChEBI A phenolate anion resulting from the removal of a proton from one of the hydroxy groups of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (DIF-1). The major structure at pH 7.3. -1 C13H15Cl2O4 InChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3/p-1 VUDQSRFCCHQIIU-UHFFFAOYSA-M 306.162 305.03529 C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)[O-] PMID:9446571 2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate chebi_ontology 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one DIF 1(1-) DIF-1(1-) differentiation-inducing factor 1(1-) differentiation-inducing factor-1(1-) CHEBI:90397 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) PMID:9446571 Europe PMC 2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate IUPAC 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one UniProt DIF 1(1-) ChEBI DIF-1(1-) ChEBI differentiation-inducing factor 1(1-) ChEBI differentiation-inducing factor-1(1-) ChEBI A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3. -1 C12H13Cl2O4 InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6(15)7-10(16)8(13)12(18)9(14)11(7)17/h16-18H,2-5H2,1H3/p-1 WLWLDMLTAFSEDI-UHFFFAOYSA-M 292.136 291.01964 C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)[O-])Cl)O PMID:9446571 2,6-dichloro-4-hexanoyl-3,5-dihydroxyphenolate chebi_ontology (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one 3,5-dichloro-THPH(1-) Cl2-THPH(1-) dichloro-THPH(1-) CHEBI:90398 (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) PMID:9446571 Europe PMC 2,6-dichloro-4-hexanoyl-3,5-dihydroxyphenolate IUPAC (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one UniProt 3,5-dichloro-THPH(1-) ChEBI Cl2-THPH(1-) ChEBI dichloro-THPH(1-) ChEBI A fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets. 0 C12HF23O2 InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37) CXGONMQFMIYUJR-UHFFFAOYSA-N 614.099 613.96093 OC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O CAS:307-55-1 PMID:17400581 PMID:18028973 PMID:18760846 PMID:19397962 PMID:20100736 PMID:21677784 PMID:23353032 PMID:23800682 PMID:24753098 PMID:26168851 Reaxys:1811257 tricosafluorododecanoic acid chebi_ontology 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid C11F23CO2H C11F23COOH PFDoA n-C11F23CO2H n-C11F23COOH perfluorolauric acid CHEBI:90633 perfluorododecanoic acid CAS:307-55-1 ChemIDplus CAS:307-55-1 NIST Chemistry WebBook PMID:17400581 Europe PMC PMID:18028973 Europe PMC PMID:18760846 Europe PMC PMID:19397962 Europe PMC PMID:20100736 Europe PMC PMID:21677784 Europe PMC PMID:23353032 Europe PMC PMID:23800682 Europe PMC PMID:24753098 Europe PMC PMID:26168851 Europe PMC Reaxys:1811257 Reaxys tricosafluorododecanoic acid IUPAC 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid ChemIDplus C11F23CO2H ChEBI C11F23COOH ChEBI PFDoA ChEBI n-C11F23CO2H ChEBI n-C11F23COOH ChEBI perfluorolauric acid ChemIDplus A guanidinium ion obtained by monoprotonation of metformin. +1 C4H12N5 InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)/p+1 XZWYZXLIPXDOLR-UHFFFAOYSA-O 130.172 130.10872 NC(=N)NC(=N)N(C)C.[H+] chebi_ontology metformin cation CHEBI:90688 metformin(1+) metformin cation ChEBI An indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine. +1 C21H23N2O2 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/p+1/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-O 335.420 335.17540 C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] 10-oxostrychnidin-19-ium chebi_ontology strychnine strychnine cation strychninium ion CHEBI:90700 strychnine(1+) 10-oxostrychnidin-19-ium IUPAC strychnine UniProt strychnine cation ChEBI strychninium ion ChEBI A nuclear receptor modulator that affects the retinoic acid receptor chebi_ontology retinoic acid receptor modulators CHEBI:90708 retinoic acid receptor modulator retinoic acid receptor modulators ChEBI Any receptor modulator acting on nuclear receptors chebi_ontology nuclear receptor modulators CHEBI:90709 nuclear receptor modulator nuclear receptor modulators ChEBI A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors. chebi_ontology receptor modulators CHEBI:90710 receptor modulator receptor modulators ChEBI A role borne by a molecule that acts to counteract or neutralise the deleterious effects of opioids. PMID:24510187 PMID:24868924 chebi_ontology antidote to opioid overdose CHEBI:90755 antidote to opioid poisoning PMID:24510187 Europe PMC PMID:24868924 Europe PMC antidote to opioid overdose ChEBI A mixed diacylamine resulting from the formal condensation of the nitrogen of a carboxamide with a sulphonic acid. 0 CNO3SR3 106.082 105.95989 C(=O)(N(S(*)(=O)=O)*)* chebi_ontology N-acylsulfonamide N-acylsulfonamides N-carboacylsulfonamide N-carboacylsulfonamides N-sulfonylcarboxamides CHEBI:90852 N-sulfonylcarboxamide N-acylsulfonamide ChEBI N-acylsulfonamides ChEBI N-carboacylsulfonamide ChEBI N-carboacylsulfonamides ChEBI N-sulfonylcarboxamides ChEBI A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3. -1 CO2R 44.010 43.98983 *C([O-])=O chebi_ontology an aromatic carboxylate CHEBI:91007 aromatic carboxylate an aromatic carboxylate UniProt Any inhibitor of erythropoietin, a glycoprotein hormone that controls erythropoiesis (red blood cell production). chebi_ontology EPO inhibitor EPO inhibitors erythropoietin inhibitors CHEBI:91025 erythropoietin inhibitor EPO inhibitor ChEBI EPO inhibitors ChEBI erythropoietin inhibitors ChEBI An antagonist at purinergic P2 receptors Wikipedia:Purinergic_receptor chebi_ontology P2 antagonist P2 antagonists non-selective P2 purinergic antagonist non-selective P2 purinergic antagonists purinergic receptor P2 antagonists CHEBI:91079 purinergic receptor P2 antagonist P2 antagonist ChEBI P2 antagonists ChEBI non-selective P2 purinergic antagonist ChEBI non-selective P2 purinergic antagonists ChEBI purinergic receptor P2 antagonists ChEBI An agonist that selectively binds to and activates elastin-laminin receptors. PMID:9856283 chebi_ontology ELR agonist ELR agonists elastin-laminin receptor agonists CHEBI:91139 elastin-laminin receptor agonist PMID:9856283 Europe PMC ELR agonist ChEBI ELR agonists ChEBI elastin-laminin receptor agonists ChEBI An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups. 0 C4H3F7O InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2 DFEYYRMXOJXZRJ-UHFFFAOYSA-N 200.05480 200.00721 FCOC(C(F)(F)F)C(F)(F)F Beilstein:2041023 CAS:28523-86-6 DrugBank:DB01236 Drug_Central:2439 KEGG:C07520 KEGG:D00547 Patent:DE1954268 Patent:US3689571 Wikipedia:Sevoflurane 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane chebi_ontology 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane Sevofluran Sevoflurane Sevoflurano Sevofluranum CHEBI:9130 sevoflurane Beilstein:2041023 Beilstein CAS:28523-86-6 ChemIDplus CAS:28523-86-6 DrugBank CAS:28523-86-6 KEGG COMPOUND CAS:28523-86-6 KEGG DRUG CAS:28523-86-6 NIST Chemistry WebBook Drug_Central:2439 DrugCentral 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane IUPAC 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane ChemIDplus Sevofluran ChemIDplus Sevoflurane ChemIDplus Sevoflurano ChemIDplus Sevofluranum ChemIDplus A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. 0 C25H38O5 InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 RYMZZMVNJRMUDD-HGQWONQESA-N 418.56620 418.27192 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 CHEBI:45577 Beilstein:4768037 CAS:79902-63-9 DrugBank:DB00641 Drug_Central:2445 HMDB:HMDB0005007 KEGG:D00434 LINCS:LSM-2492 PMID:11336576 PMID:12827636 PMID:14561068 PMID:14691614 PMID:14973129 PMID:16144183 PMID:17640385 PMID:18199328 PMID:18688862 PMID:18936176 PMID:22737247 Patent:EP33538 Patent:US4444784 Wikipedia:Simvastatin (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate Simvastatin chebi_ontology 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one MK-733 Simvastatina Simvastatine Simvastatinum Zocor simvastatin CHEBI:9150 simvastatin Beilstein:4768037 Beilstein CAS:79902-63-9 ChemIDplus CAS:79902-63-9 KEGG DRUG Drug_Central:2445 DrugCentral PMID:11336576 Europe PMC PMID:12827636 Europe PMC PMID:14561068 Europe PMC PMID:14691614 Europe PMC PMID:14973129 Europe PMC PMID:16144183 Europe PMC PMID:17640385 Europe PMC PMID:18199328 Europe PMC PMID:18688862 Europe PMC PMID:18936176 Europe PMC PMID:22737247 Europe PMC (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate IUPAC Simvastatin KEGG_DRUG 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one ChemIDplus MK-733 KEGG_DRUG Simvastatina ChemIDplus Simvastatine ChemIDplus Simvastatinum ChemIDplus Zocor ChemIDplus simvastatin DrugBank A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. 0 C51H79NO13 InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 QFJCIRLUMZQUOT-HPLJOQBZSA-N 914.17190 913.55514 [H][C@]1(CC[C@@H](O)[C@@H](C1)OC)C[C@@H](C)[C@]1([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]2([H])CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@]2([H])C(=O)O1)OC CHEBI:45276 CHEBI:67812 CAS:53123-88-9 DrugBank:DB00877 Drug_Central:2446 HMDB:HMDB0015015 KEGG:C07909 KEGG:D00753 KNApSAcK:C00018055 LIPID_MAPS_instance:LMPK06000003 PDBeChem:RAP PMID:19587680 PMID:22960739 PMID:22981852 PMID:22984623 PMID:24341993 PMID:24409289 Reaxys:5848501 Wikipedia:Rapamycin (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone Sirolimus chebi_ontology (-)-Rapamycin (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone Antibiotic AY 22989 Rapamune rapamycin sirolimus sirolimusum CHEBI:9168 sirolimus CAS:53123-88-9 ChemIDplus CAS:53123-88-9 KEGG COMPOUND Drug_Central:2446 DrugCentral LIPID_MAPS_instance:LMPK06000003 LIPID MAPS PMID:19587680 Europe PMC PMID:22960739 Europe PMC PMID:22981852 Europe PMC PMID:22984623 Europe PMC PMID:24341993 Europe PMC PMID:24409289 Europe PMC Reaxys:5848501 Reaxys (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone IUPAC Sirolimus KEGG_COMPOUND (-)-Rapamycin ChemIDplus (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone IUPAC Antibiotic AY 22989 DrugBank Rapamune DrugBank rapamycin ChEBI sirolimus WHO_MedNet sirolimusum WHO_MedNet 0 C7H16FO2P InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3 GRXKLBBBQUKJJZ-UHFFFAOYSA-N 182.173 182.08719 CC(OP(C)(F)=O)C(C)(C)C CAS:96-64-0 KEGG:C07494 Soman chebi_ontology CHEBI:9195 Soman CAS:96-64-0 KEGG COMPOUND Soman KEGG_COMPOUND A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene. 0 C7H6N2O4 InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3 RMBFBMJGBANMMK-UHFFFAOYSA-N 182.13350 182.03276 Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O CAS:121-14-2 KEGG:C11006 PMID:24467368 PMID:24893713 Reaxys:1912834 Wikipedia:2,4-Dinitrotoluene 1-methyl-2,4-dinitrobenzene 2,4-Dinitrotoluene 2,4-dinitrotoluene chebi_ontology 2,4-DNT 2,4-dinitro-1-methylbenzene 2,4-dinitromethylbenzene 2,4-dinitrotoluol DNT CHEBI:920 2,4-dinitrotoluene CAS:121-14-2 ChemIDplus CAS:121-14-2 KEGG COMPOUND CAS:121-14-2 NIST Chemistry WebBook PMID:24467368 Europe PMC PMID:24893713 Europe PMC Reaxys:1912834 Reaxys 1-methyl-2,4-dinitrobenzene IUPAC 2,4-Dinitrotoluene KEGG_COMPOUND 2,4-dinitrotoluene UniProt 2,4-DNT ChemIDplus 2,4-DNT KEGG_COMPOUND 2,4-dinitro-1-methylbenzene ChemIDplus 2,4-dinitromethylbenzene ChemIDplus 2,4-dinitrotoluol ChemIDplus DNT NIST_Chemistry_WebBook A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. 0 C24H32O4S InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 LXMSZDCAJNLERA-ZHYRCANASA-N 416.57448 416.20213 [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]33CCC(=O)O3)[C@]1([H])[C@@H](CC1=CC(=O)CC[C@]21C)SC(C)=O CHEBI:45692 Beilstein:57767 CAS:52-01-7 DrugBank:DB00421 Drug_Central:2475 HMDB:HMDB0014565 KEGG:C07310 KEGG:D00443 PDBeChem:SNL PMID:11300427 Patent:US3013012 Reaxys:57767 Wikipedia:Spironolactone 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone Spironolactone chebi_ontology espironolactona spironolactone spironolactonum spironolattone CHEBI:9241 spironolactone Beilstein:57767 Beilstein CAS:52-01-7 ChemIDplus Drug_Central:2475 DrugCentral PMID:11300427 Europe PMC Reaxys:57767 Reaxys 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone IUPAC Spironolactone KEGG_COMPOUND espironolactona ChEBI spironolactone ChEBI spironolactonum ChEBI spironolattone ChEBI The spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes. 0 C18H35NO2 InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3 PUYXTUJWRLOUCW-UHFFFAOYSA-N 297.47600 297.26678 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 CHEBI:546779 AGR:IND43667533 CAS:118134-30-8 KEGG:C11124 PMID:16366700 PMID:16526469 PMID:17804411 PMID:19733892 PMID:20060629 PPDB:599 Patent:DE3735555 Patent:US4851405 Pesticides:spiroxamine Reaxys:11342560 N-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amine Spiroxamine chebi_ontology (8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamine Impulse KWG4168 Prosper CHEBI:9242 spiroxamine AGR:IND43667533 Europe PMC CAS:118134-30-8 ChemIDplus CAS:118134-30-8 KEGG COMPOUND PMID:16366700 Europe PMC PMID:16526469 Europe PMC PMID:17804411 ChEMBL PMID:19733892 Europe PMC PMID:20060629 Europe PMC Pesticides:spiroxamine Alan Wood's Pesticides Reaxys:11342560 Reaxys N-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amine IUPAC Spiroxamine KEGG_COMPOUND (8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine ChEMBL 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamine ChEBI Impulse ChEBI KWG4168 KEGG_COMPOUND Prosper ChEBI An N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals. 0 C8H15N3O7 InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1 ZSJLQEPLLKMAKR-GKHCUFPYSA-N 265.22072 265.09100 CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O Beilstein:2060675 CAS:18883-66-4 DrugBank:DB00428 HMDB:HMDB0014572 KEGG:C07313 KEGG:D05932 PMID:12613763 PMID:23151907 PMID:23333576 PMID:23600389 PMID:23612842 PMID:23662406 PMID:2954873 Patent:FR1434920 Patent:US2005271747 Patent:US2005272738 Patent:US2008085882 Patent:US4156777 Reaxys:2060675 Wikipedia:Streptozocin 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose streptozocin chebi_ontology 2-Deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose 2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose N-D-Glucosyl-(2)-N&#39;-nitrosomethylharnstoff N-D-Glucosyl-(2)-N'-nitrosomethylurea Streptozocinium Streptozotocin Zanosar estreptozocina streptozocin streptozocine streptozocinum CHEBI:9288 streptozocin Beilstein:2060675 Beilstein CAS:18883-66-4 ChemIDplus CAS:18883-66-4 KEGG COMPOUND PMID:12613763 Europe PMC PMID:23151907 Europe PMC PMID:23333576 Europe PMC PMID:23600389 Europe PMC PMID:23612842 Europe PMC PMID:23662406 Europe PMC PMID:2954873 Europe PMC Reaxys:2060675 Reaxys 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose IUPAC streptozocin UniProt 2-Deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose ChemIDplus 2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose ChEBI N-D-Glucosyl-(2)-N&#39;-nitrosomethylharnstoff ChemIDplus N-D-Glucosyl-(2)-N'-nitrosomethylurea ChemIDplus Streptozocinium DrugBank Streptozotocin ChemIDplus Zanosar KEGG_COMPOUND estreptozocina ChemIDplus streptozocin KEGG_DRUG streptozocine DrugBank streptozocinum DrugBank A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. 0 C10H10N4O2S InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N 250.27700 250.05245 Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Beilstein:235192 CAS:68-35-9 DrugBank:DB00359 Drug_Central:2500 Gmelin:219136 HMDB:HMDB0014503 KEGG:C07658 KEGG:D00587 LINCS:LSM-5457 PMID:11431418 PMID:12811231 PMID:13037579 PMID:15907564 PMID:18706672 PMID:20244050 PMID:23206954 PMID:23245764 PMID:23270807 PMID:23322489 PMID:23396336 PMID:23411088 PMID:23411170 PMID:23704574 PMID:23707894 PMID:7378112 PMID:8429812 Patent:GB557055 Patent:US2407966 Patent:US2410793 Reaxys:235192 VSDB:1740 Wikipedia:Sulfadiazine 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide Sulfadiazine chebi_ontology 2-sulfanilamidopyrimidine 2-sulfanilylaminopyrimidine 4-amino-N-2-pyrimidinylbenzenesulfonamide N(1)-2-pyrimidinylsulfanilamide N(1)-2-pyrimidylsulfanilamide sulfadiazin sulfadiazina sulfadiazine sulfadiazinum sulfapyrimidine sulphadiazine CHEBI:9328 sulfadiazine Beilstein:235192 Beilstein CAS:68-35-9 ChemIDplus CAS:68-35-9 KEGG COMPOUND CAS:68-35-9 NIST Chemistry WebBook Drug_Central:2500 DrugCentral Gmelin:219136 Gmelin PMID:11431418 Europe PMC PMID:12811231 Europe PMC PMID:13037579 Europe PMC PMID:15907564 Europe PMC PMID:18706672 Europe PMC PMID:20244050 Europe PMC PMID:23206954 Europe PMC PMID:23245764 Europe PMC PMID:23270807 Europe PMC PMID:23322489 Europe PMC PMID:23396336 Europe PMC PMID:23411088 Europe PMC PMID:23411170 Europe PMC PMID:23704574 Europe PMC PMID:23707894 Europe PMC PMID:7378112 Europe PMC PMID:8429812 Europe PMC Reaxys:235192 Reaxys 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide IUPAC Sulfadiazine KEGG_COMPOUND 2-sulfanilamidopyrimidine NIST_Chemistry_WebBook 2-sulfanilylaminopyrimidine NIST_Chemistry_WebBook 4-amino-N-2-pyrimidinylbenzenesulfonamide NIST_Chemistry_WebBook N(1)-2-pyrimidinylsulfanilamide NIST_Chemistry_WebBook N(1)-2-pyrimidylsulfanilamide NIST_Chemistry_WebBook sulfadiazin ChEBI sulfadiazina WHO_MedNet sulfadiazine WHO_MedNet sulfadiazinum WHO_MedNet sulfapyrimidine ChemIDplus sulphadiazine NIST_Chemistry_WebBook The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms. 0 H3NO3S InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) IIACRCGMVDHOTQ-UHFFFAOYSA-N 97.09400 96.98336 NS(O)(=O)=O CAS:5329-14-6 Gmelin:25628 Reaxys:3043314 Wikipedia:Sulfamic_acid Sulfamic acid amidohydroxidodioxidosulfur sulfamic acid sulfuramidic acid chebi_ontology Amidoschwefelsaeure Amidosulfuric acid Aminosulfonic acid Imidosulfonic acid Sulfamidic acid Sulfamidsaeure Sulfaminic acid [S(NH2)O2(OH)] sulphamic acid sulphamidic acid CHEBI:9330 sulfamic acid CAS:5329-14-6 ChemIDplus CAS:5329-14-6 KEGG COMPOUND CAS:5329-14-6 NIST Chemistry WebBook Gmelin:25628 Gmelin Reaxys:3043314 Reaxys Sulfamic acid KEGG_COMPOUND amidohydroxidodioxidosulfur IUPAC sulfamic acid IUPAC sulfuramidic acid IUPAC Amidoschwefelsaeure ChEBI Amidosulfuric acid KEGG_COMPOUND Amidosulfuric acid NIST_Chemistry_WebBook Aminosulfonic acid KEGG_COMPOUND Imidosulfonic acid NIST_Chemistry_WebBook Sulfamidic acid KEGG_COMPOUND Sulfamidsaeure ChEBI Sulfaminic acid NIST_Chemistry_WebBook [S(NH2)O2(OH)] IUPAC sulphamic acid ChemIDplus sulphamidic acid NIST_Chemistry_WebBook An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. 0 C10H11N3O3S InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N 253.279 253.05211 C=1(C=CC(=CC1)N)S(NC=2C=C(ON2)C)(=O)=O CHEBI:102247 CAS:723-46-6 DrugBank:DB01015 Drug_Central:2514 Gmelin:226453 HMDB:HMDB0015150 KEGG:C07315 KEGG:D00447 LINCS:LSM-5422 PMID:10843725 PMID:10891117 PMID:10969989 PMID:11350866 PMID:11431418 PMID:12019187 PMID:15497867 PMID:15588915 PMID:15967282 PMID:15984773 PMID:17095123 PMID:17110110 PMID:17158933 PMID:17311370 PMID:17442935 PMID:17573190 PMID:18334600 PMID:18958736 PMID:19436870 PMID:20564608 PMID:22534821 PMID:226453 PMID:23611245 PMID:23649399 PMID:23742687 PMID:25851465 PMID:313909 PMID:3906132 PMID:6864729 PMID:7486915 PMID:7490723 PMID:7534104 PMID:7602118 PMID:7731020 PMID:7798534 PMID:8208693 PMID:8632413 Reaxys:226453 Wikipedia:Sulfamethoxazole 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide Sulfamethoxazole chebi_ontology 3-(p-Aminophenylsulfonamido)-5-methylisoxazole 3-Sulfanilamido-5-methylisoxazole 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide Gantanol (TN) SMX sulphamethoxazole CHEBI:9332 sulfamethoxazole CAS:723-46-6 ChemIDplus CAS:723-46-6 DrugBank CAS:723-46-6 KEGG COMPOUND Drug_Central:2514 DrugCentral Gmelin:226453 Gmelin PMID:10843725 Europe PMC PMID:10891117 ChEMBL PMID:10969989 ChEMBL PMID:11350866 Europe PMC PMID:11431418 Europe PMC PMID:12019187 Europe PMC PMID:15497867 Europe PMC PMID:15588915 Europe PMC PMID:15967282 Europe PMC PMID:15984773 Europe PMC PMID:17095123 Europe PMC PMID:17110110 ChEMBL PMID:17158933 ChEMBL PMID:17311370 ChEMBL PMID:17442935 Europe PMC PMID:17573190 Europe PMC PMID:18334600 Europe PMC PMID:18958736 Europe PMC PMID:19436870 Europe PMC PMID:20564608 Europe PMC PMID:22534821 Europe PMC PMID:226453 Europe PMC PMID:23611245 Europe PMC PMID:23649399 Europe PMC PMID:23742687 Europe PMC PMID:25851465 Europe PMC PMID:313909 Europe PMC PMID:3906132 ChEMBL PMID:6864729 ChEMBL PMID:7486915 Europe PMC PMID:7490723 ChEMBL PMID:7534104 Europe PMC PMID:7602118 Europe PMC PMID:7731020 ChEMBL PMID:7798534 Europe PMC PMID:8208693 Europe PMC PMID:8632413 ChEMBL Reaxys:226453 Reaxys 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide IUPAC Sulfamethoxazole KEGG_COMPOUND 3-(p-Aminophenylsulfonamido)-5-methylisoxazole ChemIDplus 3-Sulfanilamido-5-methylisoxazole ChemIDplus 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide ChemIDplus Gantanol (TN) KEGG_DRUG SMX ChEBI sulphamethoxazole ChEBI A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. 0 C9H9N3O2S2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N 255.319 255.01362 C=1(C=CC(=CC1)N)S(NC2=NC=CS2)(=O)=O Beilstein:226178 CAS:72-14-0 DrugBank:DB06147 Drug_Central:2527 Gmelin:218965 HMDB:HMDB0015619 KEGG:C11169 KEGG:D01047 LINCS:LSM-5327 PMID:11431418 PMID:7486915 Patent:GB517272 Patent:US2362087 Patent:US4665100 Reaxys:226178 Wikipedia:Sulfathiazole 4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide chebi_ontology 2-(Sulfanilylamino)thiazole 2-(p-Aminobenzenesulfonamido)thiazole 2-(p-Aminobenzenesulphonamido)thiazole 2-Sulfanilamidothiazol 2-Sulfanilamidothiazole 2-Sulfonamidothiazole 4-Amino-N-2-thiazolylbenzenesulfonamide N(1)-2-Thiazolylsulfanilamide Sulfanilamidothiazole Sulfatiazol Sulphathiazole sulfathiazol sulfathiazole sulfathiazolum sulfthiazole CHEBI:9337 sulfathiazole Beilstein:226178 Beilstein CAS:72-14-0 ChemIDplus CAS:72-14-0 KEGG COMPOUND CAS:72-14-0 KEGG DRUG CAS:72-14-0 NIST Chemistry WebBook Drug_Central:2527 DrugCentral Gmelin:218965 Gmelin PMID:11431418 Europe PMC PMID:7486915 Europe PMC Reaxys:226178 Reaxys 4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide IUPAC 2-(Sulfanilylamino)thiazole ChemIDplus 2-(p-Aminobenzenesulfonamido)thiazole ChemIDplus 2-(p-Aminobenzenesulphonamido)thiazole ChemIDplus 2-Sulfanilamidothiazol ChemIDplus 2-Sulfanilamidothiazole ChemIDplus 2-Sulfonamidothiazole ChemIDplus 4-Amino-N-2-thiazolylbenzenesulfonamide ChemIDplus N(1)-2-Thiazolylsulfanilamide ChemIDplus Sulfanilamidothiazole ChemIDplus Sulfatiazol ChemIDplus Sulphathiazole ChemIDplus sulfathiazol ChemIDplus sulfathiazole KEGG_DRUG sulfathiazolum ChemIDplus sulfthiazole ChEBI -1 HO2S InChI=1S/H2O2S/c1-3-2/h3H,(H,1,2)/p-1 BUUPQKDIAURBJP-UHFFFAOYSA-M 65.07274 64.97027 [H]S([O-])=O Gmelin:239616 KEGG:C01615 Sulfinate hydridodioxidosulfate(1-) chebi_ontology SHO2(-) [SHO2](-) CHEBI:9341 sulfinate Gmelin:239616 Gmelin Sulfinate KEGG_COMPOUND hydridodioxidosulfate(1-) IUPAC SHO2(-) IUPAC [SHO2](-) IUPAC A 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (R)-configuration. A specific alpha1 adrenoceptor antagonist used (generally as its hydrochloride salt, tamsulosin hydrochloride) in the treatment of prostatic hyperplasia, chronic prostatitis, urinary retention, and help with the passage of kidney stones. 0 C20H28N2O5S InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 DRHKJLXJIQTDTD-OAHLLOKOSA-N 408.514 408.17189 C=1C=C(OCCN[C@@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC Beilstein:6896059 CAS:106133-20-4 DrugBank:DB00706 Drug_Central:2562 KEGG:C07124 KEGG:D08560 PMID:2891044 PMID:29728928 PMID:29737501 PMID:29913020 PMID:29971698 PMID:29974124 PMID:30174141 PMID:30360332 Patent:EP34432 Patent:US4703063 Reaxys:6896059 Wikipedia:Tamsulosin 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide Tamsulosin chebi_ontology (-)-tamsulosin (R)-(-)-tamsulosin (R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide tamsulosin tamsulosina tamsulosine tamsulosinum CHEBI:9398 tamsulosin Beilstein:6896059 Beilstein CAS:106133-20-4 ChemIDplus CAS:106133-20-4 KEGG COMPOUND Drug_Central:2562 DrugCentral PMID:2891044 Europe PMC PMID:29728928 Europe PMC PMID:29737501 Europe PMC PMID:29913020 Europe PMC PMID:29971698 Europe PMC PMID:29974124 Europe PMC PMID:30174141 Europe PMC PMID:30360332 Europe PMC Reaxys:6896059 Reaxys 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide IUPAC Tamsulosin KEGG_COMPOUND (-)-tamsulosin ChEBI (R)-(-)-tamsulosin ChEBI (R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide ChemIDplus tamsulosin ChemIDplus tamsulosina ChemIDplus tamsulosine ChemIDplus tamsulosinum ChemIDplus A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide. 0 C7H3Cl2N InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H YOYAIZYFCNQIRF-UHFFFAOYSA-N 172.01086 170.96425 Clc1cccc(Cl)c1C#N CHEBI:73174 Beilstein:1909167 CAS:1194-65-6 KEGG:C11040 LINCS:LSM-19017 PMID:16665454 PMID:17225099 PMID:20534772 PMID:21703663 PPDB:214 Pesticides:dichlobenil Reaxys:1909167 Wikipedia:2,6-Dichlorobenzonitrile 2,6-Dichlorobenzonitrile 2,6-dichlorobenzonitrile chebi_ontology 2,6-DBN 2,6-Dichlorobenzoic acid nitrile 2,6-Dichlorophenyl cyanide DBN DCB Dichlobanil dichlobenil CHEBI:943 2,6-dichlorobenzonitrile Beilstein:1909167 Beilstein CAS:1194-65-6 ChemIDplus CAS:1194-65-6 KEGG COMPOUND CAS:1194-65-6 NIST Chemistry WebBook PMID:16665454 Europe PMC PMID:17225099 Europe PMC PMID:20534772 Europe PMC PMID:21703663 Europe PMC Pesticides:dichlobenil Alan Wood's Pesticides Reaxys:1909167 Reaxys 2,6-Dichlorobenzonitrile KEGG_COMPOUND 2,6-dichlorobenzonitrile IUPAC 2,6-DBN ChemIDplus 2,6-Dichlorobenzoic acid nitrile NIST_Chemistry_WebBook 2,6-Dichlorophenyl cyanide ChemIDplus DBN ChemIDplus DCB ChEBI Dichlobanil KEGG_COMPOUND dichlobenil ChemIDplus A member of the class of benzimidazoles used widely in the treatment of hypertension. 0 C33H30N4O2 InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) RMMXLENWKUUMAY-UHFFFAOYSA-N 514.61690 514.23688 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Beilstein:6624054 CAS:144701-48-4 DrugBank:DB00966 Drug_Central:2583 HMDB:HMDB0015101 KEGG:C07710 KEGG:D00627 LINCS:LSM-3657 PMID:11558835 PMID:15498586 PMID:18008027 PMID:18360028 PMID:24048485 Patent:EP502314 Reaxys:6624054 Wikipedia:Telmisartan 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid Telmisartan chebi_ontology 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid 4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid 4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid BIBR 277 Micardis telmisartan CHEBI:9434 telmisartan Beilstein:6624054 Beilstein CAS:144701-48-4 ChemIDplus CAS:144701-48-4 KEGG COMPOUND Drug_Central:2583 DrugCentral PMID:11558835 Europe PMC PMID:15498586 Europe PMC PMID:18008027 Europe PMC PMID:18360028 Europe PMC PMID:24048485 Europe PMC Reaxys:6624054 Reaxys 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid IUPAC Telmisartan KEGG_COMPOUND 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid ChemIDplus 4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid ChemIDplus 4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid IUPHAR 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid IUPAC BIBR 277 DrugBank Micardis KEGG_DRUG telmisartan ChemIDplus 0 C9H13ClN2O2 InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14) NBQCNZYJJMBDKY-UHFFFAOYSA-N 216.665 216.06656 Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C CAS:5902-51-2 KEGG:C10963 PPDB:620 Terbacil chebi_ontology CHEBI:9447 Terbacil CAS:5902-51-2 KEGG COMPOUND Terbacil KEGG_COMPOUND An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment. 0 C6H12N2S4 InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3 KUAZQDVKQLNFPE-UHFFFAOYSA-N 240.43300 239.98833 CN(C)C(=S)SSC(=S)N(C)C CAS:137-26-8 Drug_Central:3601 KEGG:C11160 KEGG:D06114 PMID:14587840 PMID:1842585 PMID:20940038 PMID:3055654 PMID:3176026 PPDB:642 Pesticides:thiram Reaxys:1725821 Wikipedia:Thiram Thiram [disulfanediylbis(carbonothioylnitrilo)]tetramethane chebi_ontology Arasan Bis(dimethyl-thiocarbamoyl)-disulfid N(1),N(1),N(3),N(3)-tetramethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide N,N'-(dithiodicarbonothioyl)bis(N-methylmethanamine) N,N-tetramethylthiuram disulfide Nomersan Pomarsol Rezifilm TMTD Tetramethyl-thiram disulfid Tetramethylthioperoxydicarbonic diamide [Me2NC(S)S]2 alpha,alpha'-dithiobis(dimethylthio)formamide bis((dimethylamino)carbonothioyl) disulfide bis(dimethyl thiocarbamoyl)disulfide bis(dimethylthiocarbamoyl) disulfide disulfure de tetramethylthiourame tetramethylenethiuram disulfide tetramethylthiuram disulfide tetramethylthiurane disulfide tetrathiuram disulfide thiram thirame thiramum thiuram tiramo CHEBI:9495 thiram CAS:137-26-8 ChemIDplus CAS:137-26-8 KEGG COMPOUND CAS:137-26-8 NIST Chemistry WebBook Drug_Central:3601 DrugCentral PMID:14587840 Europe PMC PMID:1842585 Europe PMC PMID:20940038 Europe PMC PMID:3055654 Europe PMC PMID:3176026 Europe PMC Pesticides:thiram Alan Wood's Pesticides Reaxys:1725821 Reaxys Thiram KEGG_COMPOUND [disulfanediylbis(carbonothioylnitrilo)]tetramethane IUPAC Arasan ChEBI Bis(dimethyl-thiocarbamoyl)-disulfid ChemIDplus N(1),N(1),N(3),N(3)-tetramethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide Alan_Wood's_Pesticides N,N'-(dithiodicarbonothioyl)bis(N-methylmethanamine) NIST_Chemistry_WebBook N,N-tetramethylthiuram disulfide ChemIDplus Nomersan ChEBI Pomarsol ChEBI Rezifilm KEGG_DRUG TMTD NIST_Chemistry_WebBook Tetramethyl-thiram disulfid ChemIDplus Tetramethylthioperoxydicarbonic diamide KEGG_COMPOUND [Me2NC(S)S]2 ChEBI alpha,alpha'-dithiobis(dimethylthio)formamide ChemIDplus bis((dimethylamino)carbonothioyl) disulfide ChemIDplus bis(dimethyl thiocarbamoyl)disulfide ChemIDplus bis(dimethylthiocarbamoyl) disulfide NIST_Chemistry_WebBook disulfure de tetramethylthiourame ChemIDplus tetramethylenethiuram disulfide ChemIDplus tetramethylthiuram disulfide ChemIDplus tetramethylthiurane disulfide ChemIDplus tetrathiuram disulfide ChemIDplus thiram ChemIDplus thirame ChemIDplus thiramum ChemIDplus thiuram ChEBI tiramo WHO_MedNet An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. 0 C34H50O12 InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 IXFPJGBNCFXKPI-FSIHEZPISA-N 650.75360 650.33023 [H][C@@]1(OC(=O)C(\C)=C/C)[C@@H](OC(=O)CCCCCCC)[C@@]2([H])C(=C1C)[C@]1([H])OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@]2(C)OC(C)=O)OC(=O)CCC CHEBI:363811 CHEBI:45970 Beilstein:4649293 CAS:67526-95-8 KEGG:C09561 KNApSAcK:C00003375 LIPID_MAPS_instance:LMPR0103410001 PDBeChem:TG1 PMID:10477042 PMID:12410314 PMID:16874404 PMID:17825049 PMID:20357004 PMID:24598360 PMID:9014219 Reaxys:4649293 Wikipedia:Thapsigargin (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate Thapsigargin chebi_ontology Tg octanoic acid {3S-[3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]}-6-(acetoxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester thapsigargine CHEBI:9516 thapsigargin Beilstein:4649293 Beilstein CAS:67526-95-8 ChemIDplus LIPID_MAPS_instance:LMPR0103410001 LIPID MAPS PMID:10477042 Europe PMC PMID:12410314 Europe PMC PMID:16874404 Europe PMC PMID:17825049 Europe PMC PMID:20357004 Europe PMC PMID:24598360 Europe PMC PMID:9014219 Europe PMC Reaxys:4649293 Reaxys (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate IUPAC Thapsigargin KEGG_COMPOUND Tg ChEBI octanoic acid {3S-[3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]}-6-(acetoxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester ChEBI thapsigargine ChEBI A dinitrotoluene carrying nitro substituents at positions 2 and 6. 0 C7H6N2O4 InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3 XTRDKALNCIHHNI-UHFFFAOYSA-N 182.13350 182.03276 Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O Beilstein:2052046 CAS:606-20-2 KEGG:C11008 MetaCyc:CPD-9133 PMID:22155124 Reaxys:2052046 2,6-Dinitrotoluene 2,6-dinitrotoluene 2-methyl-1,3-dinitrobenzene chebi_ontology 1-methyl-2,6-dinitrobenzene 2,6-DNT 2,6-dinitromethylbenzene CHEBI:957 2,6-dinitrotoluene Beilstein:2052046 ChemIDplus CAS:606-20-2 ChemIDplus CAS:606-20-2 KEGG COMPOUND CAS:606-20-2 NIST Chemistry WebBook PMID:22155124 Europe PMC Reaxys:2052046 Reaxys 2,6-Dinitrotoluene KEGG_COMPOUND 2,6-dinitrotoluene UniProt 2-methyl-1,3-dinitrobenzene IUPAC 1-methyl-2,6-dinitrobenzene NIST_Chemistry_WebBook 2,6-DNT KEGG_COMPOUND 2,6-dinitromethylbenzene ChemIDplus A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group. 0 C14H14ClNS InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 PHWBOXQYWZNQIN-UHFFFAOYSA-N 263.78600 263.05355 Clc1ccccc1CN1CCc2sccc2C1 CAS:55142-85-3 DrugBank:DB00208 Drug_Central:2657 KEGG:C07140 KEGG:D08594 LINCS:LSM-1986 PMID:19180126 Patent:DE2404308 Patent:US4051141 Patent:US4127580 Reaxys:1216802 Wikipedia:Ticlopidine 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine chebi_ontology ticlopidina ticlopidine ticlopidinum CHEBI:9588 ticlopidine CAS:55142-85-3 ChemIDplus Drug_Central:2657 DrugCentral PMID:19180126 Europe PMC Reaxys:1216802 Reaxys 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine IUPAC ticlopidina ChemIDplus ticlopidine ChemIDplus ticlopidine WHO_MedNet ticlopidinum ChemIDplus A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia. 0 C16H25NO2 263.37520 263.18853 CAS:27203-92-5 DrugBank:DB00193 HMDB:HMDB0014339 KEGG:C07153 KEGG:D08623 PMID:22674657 PMID:22943675 PMID:22964800 PMID:23031839 PMID:23061925 PMID:23095734 PMID:23098678 PMID:23099620 PMID:23102445 PMID:23145962 PMID:23292128 PMID:23328338 PMID:23433451 PMID:23543914 PMID:23668411 PMID:23755929 PMID:23756535 PMID:23773348 PMID:23822079 PMID:23825758 PMID:23840975 PMID:23843224 PMID:23872384 PMID:23907474 PMID:23962470 PMID:24014188 PMID:25219922 Patent:GB997399 Patent:US3652589 Reaxys:2943832 Wikipedia:Tramadol rac-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol chebi_ontology (+-)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol CG-315E E-265 U-26225A tramadol tramadolum CHEBI:9648 tramadol CAS:27203-92-5 ChemIDplus CAS:27203-92-5 KEGG COMPOUND PMID:22674657 Europe PMC PMID:22943675 Europe PMC PMID:22964800 Europe PMC PMID:23031839 Europe PMC PMID:23061925 Europe PMC PMID:23095734 Europe PMC PMID:23098678 Europe PMC PMID:23099620 Europe PMC PMID:23102445 Europe PMC PMID:23145962 Europe PMC PMID:23292128 Europe PMC PMID:23328338 Europe PMC PMID:23433451 Europe PMC PMID:23543914 Europe PMC PMID:23668411 Europe PMC PMID:23755929 Europe PMC PMID:23756535 Europe PMC PMID:23773348 Europe PMC PMID:23822079 Europe PMC PMID:23825758 Europe PMC PMID:23840975 Europe PMC PMID:23843224 Europe PMC PMID:23872384 Europe PMC PMID:23907474 Europe PMC PMID:23962470 Europe PMC PMID:24014188 Europe PMC PMID:25219922 Europe PMC Reaxys:2943832 Reaxys rac-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol IUPAC (+-)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol ChEBI CG-315E ChEBI E-265 ChEBI U-26225A ChEBI tramadol WHO_MedNet tramadolum DrugBank A racemate comprising equal amounts of (R)- and (S)-triadimefon. A fungicide used to control powdery mildew, rusts and other infections in crops. 0 C14H16ClN3O2 293.74900 293.09310 CAS:43121-43-3 KEGG:C11156 MetaCyc:CPD-4061 PMID:23419873 PMID:23876258 PMID:24342051 PMID:24531054 PMID:24846121 PMID:24962053 PMID:25011125 Pesticides:triadimefon Reaxys:619231 Wikipedia:Triadimefon rac-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one chebi_ontology (+-)-triadimefon (RS)-triadimefon 1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone rac-triadimefon racemic triadimefon triadimefone CHEBI:9665 triadimefon CAS:43121-43-3 ChemIDplus CAS:43121-43-3 KEGG COMPOUND CAS:43121-43-3 NIST Chemistry WebBook PMID:23419873 Europe PMC PMID:23876258 Europe PMC PMID:24342051 Europe PMC PMID:24531054 Europe PMC PMID:24846121 Europe PMC PMID:24962053 Europe PMC PMID:25011125 Europe PMC Pesticides:triadimefon Alan Wood's Pesticides Reaxys:619231 Reaxys rac-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one IUPAC (+-)-triadimefon ChEBI (RS)-triadimefon ChEBI 1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone ChemIDplus 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one ChemIDplus 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone NIST_Chemistry_WebBook 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone Alan_Wood's_Pesticides rac-triadimefon ChEBI racemic triadimefon ChEBI triadimefone MetaCyc The methyl ester of tribenuron. 0 C15H17N5O6S InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22) VLCQZHSMCYCDJL-UHFFFAOYSA-N 395.39000 395.08995 COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1 CHEBI:39705 CAS:101200-48-0 KEGG:C10962 PDBeChem:1TB PMID:20048324 PMID:21277578 PMID:21637929 PMID:21983197 PMID:22217454 PPDB:655 Pesticides:tribenuron Reaxys:7447730 Tribenuron methyl methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate chebi_ontology METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE Sulfmethmeton-methyl Tribenuron methyl ester Tribenuron-methyl methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate CHEBI:9678 tribenuron methyl CAS:101200-48-0 ChemIDplus CAS:101200-48-0 KEGG COMPOUND PMID:20048324 Europe PMC PMID:21277578 Europe PMC PMID:21637929 Europe PMC PMID:21983197 Europe PMC PMID:22217454 Europe PMC Pesticides:tribenuron Alan Wood's Pesticides Reaxys:7447730 Reaxys Tribenuron methyl KEGG_COMPOUND methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate IUPAC METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE PDBeChem Sulfmethmeton-methyl ChemIDplus Tribenuron methyl ester ChemIDplus Tribenuron-methyl KEGG_COMPOUND methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate ChEBI A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide. 0 C7H4Cl3NO3 InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13) REEQLXCGVXDJSQ-UHFFFAOYSA-N 256.47100 254.92568 OC(=O)COc1nc(Cl)c(Cl)cc1Cl CAS:55335-06-3 KEGG:C11032 PMID:23688229 PMID:24623388 PMID:25309266 PPDB:659 Pesticides:triclopyr Reaxys:225301 Wikipedia:Triclopyr [(3,5,6-trichloropyridin-2-yl)oxy]acetic acid chebi_ontology Triclopyr CHEBI:9682 trichlopyr CAS:55335-06-3 ChemIDplus CAS:55335-06-3 KEGG COMPOUND PMID:23688229 Europe PMC PMID:24623388 Europe PMC PMID:25309266 Europe PMC Pesticides:triclopyr Alan Wood's Pesticides Reaxys:225301 Reaxys [(3,5,6-trichloropyridin-2-yl)oxy]acetic acid IUPAC Triclopyr KEGG_COMPOUND A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor. 0 C17H24O4 InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17-/m1/s1 HNEGCRMUYSKRRR-NWHWRWDZSA-N 292.37010 292.16746 [H][C@]12C[C@@H](OC(C)=O)[C@](C)([C@@]3(C)CCC(C)=C[C@@]3([H])O1)[C@@]21CO1 CHEBI:552470 Beilstein:6868411 CAS:4682-50-2 KEGG:C09741 KNApSAcK:C00003195 PMID:4750433 PMID:6757231 Patent:NL302527 (4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate chebi_ontology 12,13-Epoxytrichothec-9-en-4-ol acetate CHEBI:9688 trichodermin Beilstein:6868411 Beilstein CAS:4682-50-2 ChemIDplus CAS:4682-50-2 KEGG COMPOUND PMID:4750433 Europe PMC PMID:6757231 Europe PMC (4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate IUPAC 12,13-Epoxytrichothec-9-en-4-ol acetate ChemIDplus A member of the class of N-alkylpiperazines in which the two amino groups of piperazine are replaced by 1-formamido-2,2,2-trichloroethyl groups. A fungicide active against a range of diseases including powdery mildew, scab and rust. 0 C10H14Cl6N4O2 InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22) RROQIUMZODEXOR-UHFFFAOYSA-N 434.96200 431.92479 ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl CAS:26644-46-2 KEGG:C10960 PMID:1002932 PMID:1267484 PMID:15052559 PMID:24122157 PMID:2471555 PMID:597629 PMID:680740 PMID:7821004 PMID:890154 PPDB:669 Patent:EP0031454 Patent:US3975527 Pesticides:triforine Reaxys:626358 N,N'-[piperazine-1,4-diylbis(2,2,2-trichloroethane-1,1-diyl)]diformamide chebi_ontology 1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine Biformylchlorazin Funginex N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide CHEBI:9715 triforine CAS:26644-46-2 ChemIDplus CAS:26644-46-2 KEGG COMPOUND PMID:1002932 Europe PMC PMID:1267484 Europe PMC PMID:15052559 Europe PMC PMID:24122157 Europe PMC PMID:2471555 Europe PMC PMID:597629 Europe PMC PMID:680740 Europe PMC PMID:7821004 Europe PMC PMID:890154 Europe PMC Pesticides:triforine Alan Wood's Pesticides Reaxys:626358 Reaxys N,N'-[piperazine-1,4-diylbis(2,2,2-trichloroethane-1,1-diyl)]diformamide IUPAC 1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine ChemIDplus 1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine ChemIDplus Biformylchlorazin ChemIDplus Funginex ChemIDplus N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide ChemIDplus N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide ChemIDplus A complex heterocyclic sulfonium compound with an imidazolium core, used to treat hypertension. +1 C22H25N2OS InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1 CHQOEHPMXSHGCL-UHFFFAOYSA-N 365.51200 365.16821 O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1 CAS:7187-66-8 DrugBank:DB01116 Drug_Central:2752 KEGG:C07174 1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium Trimethaphan chebi_ontology Trimetaphan Trimetaphanum CHEBI:9728 trimethaphan CAS:7187-66-8 ChemIDplus CAS:7187-66-8 KEGG COMPOUND Drug_Central:2752 DrugCentral 1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium IUPAC Trimethaphan KEGG_COMPOUND Trimetaphan ChemIDplus Trimetaphanum ChemIDplus The (S)-camphorsulfonate salt of trimethaphan. 0 C22H25N2OS.C10H15O4S C32H40N2O5S2 InChI=1S/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1/t;7-,10-/m.1/s1 HALWUDBBYKMYPW-STOWLHSFSA-M 596.80000 596.23786 CC1(C)[C@@H]2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1 Beilstein:4114455 CAS:68-91-7 KEGG:D00612 PMID:14160165 PMID:6196640 PMID:734220 PMID:938175 PMID:98729 Reaxys:4114455 1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate chebi_ontology (+)-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)-thiolium 2-oxo-10-bornanesulfonate (1:1) 1,3-Dibenzyldecahydro-2-oxo-imidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate 1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 10-camphorsulfonate Trimetaphan camphorsulfonate Trimetaphan camsilate Trimetaphan camsylate Trimethaphan 10-camphorsulfonate Trimethaphan camphorsulfonate camsilate de trimetaphan cansilato de trimetafano d-3,4-(1',3'-Dibenzyl-2'-ketoimidazolido)-1,2-trimethylenethiophanium d-camphorsulfonate trimetaphan camsilate trimetaphani camsilas trimethaphan camphorsulphonate CHEBI:9729 trimethaphan camsylate Beilstein:4114455 Beilstein CAS:68-91-7 ChemIDplus PMID:14160165 Europe PMC PMID:6196640 Europe PMC PMID:734220 Europe PMC PMID:938175 Europe PMC PMID:98729 Europe PMC Reaxys:4114455 Reaxys 1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate IUPAC (+)-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)-thiolium 2-oxo-10-bornanesulfonate (1:1) ChemIDplus 1,3-Dibenzyldecahydro-2-oxo-imidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate ChemIDplus 1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 10-camphorsulfonate ChemIDplus Trimetaphan camphorsulfonate ChemIDplus Trimetaphan camsilate ChemIDplus Trimetaphan camsylate ChemIDplus Trimethaphan 10-camphorsulfonate ChemIDplus Trimethaphan camphorsulfonate ChemIDplus camsilate de trimetaphan ChemIDplus cansilato de trimetafano ChemIDplus d-3,4-(1',3'-Dibenzyl-2'-ketoimidazolido)-1,2-trimethylenethiophanium d-camphorsulfonate ChemIDplus trimetaphan camsilate KEGG_DRUG trimetaphani camsilas ChemIDplus trimethaphan camphorsulphonate ChEBI A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant. 0 C20H26N2 InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3 ZSCDBOWYZJWBIY-UHFFFAOYSA-N 294.43392 294.20960 CC(CN(C)C)CN1c2ccccc2CCc2ccccc12 Beilstein:1321466 CAS:739-71-9 DrugBank:DB00726 Drug_Central:2758 HMDB:HMDB0014864 KEGG:D00394 LINCS:LSM-1371 PMID:22642681 PMID:25178259 Patent:CN103893187 Reaxys:1321466 Wikipedia:Trimipramine 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine Trimipramine chebi_ontology 10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]azepine-5-propanamine 5-(gamma-dimethylamino-beta-methylpropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine 5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-5H-dibenz[b,f]azepine RP-7162 Sapilent Trimeprimine beta-methylimipramine trimeproprimine CHEBI:9738 trimipramine Beilstein:1321466 ChemIDplus CAS:739-71-9 ChemIDplus CAS:739-71-9 NIST Chemistry WebBook Drug_Central:2758 DrugCentral PMID:22642681 Europe PMC PMID:25178259 Europe PMC Reaxys:1321466 Reaxys 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine IUPAC Trimipramine ChemIDplus 10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]azepine-5-propanamine NIST_Chemistry_WebBook 5-(gamma-dimethylamino-beta-methylpropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine NIST_Chemistry_WebBook 5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-5H-dibenz[b,f]azepine NIST_Chemistry_WebBook RP-7162 NIST_Chemistry_WebBook Sapilent ChemIDplus Trimeprimine ChemIDplus beta-methylimipramine NIST_Chemistry_WebBook trimeproprimine NIST_Chemistry_WebBook A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity. 0 C24H29N5O3 InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N 435.51896 435.22704 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O Beilstein:7754038 CAS:137862-53-4 DrugBank:DB00177 Drug_Central:2806 HMDB:HMDB0014323 KEGG:D00400 LINCS:LSM-2993 Patent:EP443983 Patent:US5399578 Reaxys:7754038 Wikipedia:Valsartan N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine chebi_ontology (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine Diovan N-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine valsartan CHEBI:9927 valsartan Beilstein:7754038 Beilstein CAS:137862-53-4 ChemIDplus Drug_Central:2806 DrugCentral Reaxys:7754038 Reaxys N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine IUPAC (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine IUPHAR Diovan KEGG_DRUG N-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine ChemIDplus N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine IUPAC valsartan ChemIDplus A family of cyclic nonapeptide hormones found in most mammals. Synthesised in the hypothalamus and stored in the post-pituitary, vasopressins play a key role in homeostasis, particularly in regulating the body's water content. Together with the similar neuropeptide oxytocin, they are believed to influence social cognition and behaviour. 0 C46H65N15O12S2.C46H65N13O12S2 2140.458 2138.86956 CAS:11000-17-2 KEGG:C00840 KEGG:D00101 PMID:18988842 PMID:20445498 Vasopressin chebi_ontology ADH AVP Antidiuretic hormone Inyectable de vasopresina Solute injectable de vasopressine VP Vasopressini injectio arginine vasopressin argipressin beta-Hypophamine CHEBI:9937 vasopressin CAS:11000-17-2 ChemIDplus PMID:18988842 Europe PMC PMID:20445498 Europe PMC Vasopressin KEGG_COMPOUND ADH KEGG_COMPOUND AVP ChEBI Antidiuretic hormone KEGG_COMPOUND Inyectable de vasopresina ChemIDplus Solute injectable de vasopressine ChemIDplus VP KEGG_COMPOUND Vasopressini injectio ChemIDplus arginine vasopressin ChEBI argipressin ChEBI beta-Hypophamine ChemIDplus A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. 0 C17H27NO2 InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N 277.40182 277.20418 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Beilstein:4234848 CAS:93413-69-5 DrugBank:DB00285 Drug_Central:2813 HMDB:HMDB0005016 KEGG:C07187 KEGG:D08670 LINCS:LSM-1616 PMID:11098420 PMID:12409680 PMID:18321472 Reaxys:4234848 Wikipedia:Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol Venlafaxine chebi_ontology Elafax venlafaxina venlafaxine venlafaxinum CHEBI:9943 venlafaxine Beilstein:4234848 Beilstein CAS:93413-69-5 ChemIDplus CAS:93413-69-5 KEGG COMPOUND Drug_Central:2813 DrugCentral PMID:11098420 Europe PMC PMID:12409680 Europe PMC PMID:18321472 Europe PMC Reaxys:4234848 Reaxys 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol IUPAC Venlafaxine KEGG_COMPOUND Elafax ChemIDplus venlafaxina WHO_MedNet venlafaxine ChemIDplus venlafaxine WHO_MedNet venlafaxinum WHO_MedNet A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine. 0 C27H38N2O4 454.60160 454.28316 Beilstein:2825000 CAS:52-53-9 DrugBank:DB00661 HMDB:HMDB0001850 KEGG:C07188 KEGG:D02356 PMID:11142488 PMID:11389609 PMID:11454724 PMID:11975770 PMID:12454681 PMID:14681337 PMID:16545584 PMID:17525564 PMID:17724247 PMID:18093581 PMID:18337499 PMID:19125880 PMID:24532601 PMID:24577794 PMID:25297337 PMID:25331694 PMID:25650380 PMID:25968157 PMID:26046259 PMID:26504804 PMID:26553277 PMID:26567612 PMID:8861548 Reaxys:2825000 Wikipedia:Verapamil Verapamil rac-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chebi_ontology verapamil verapamilo verapamilum CHEBI:9948 verapamil Beilstein:2825000 Beilstein CAS:52-53-9 ChemIDplus CAS:52-53-9 KEGG COMPOUND CAS:52-53-9 NIST Chemistry WebBook PMID:11142488 Europe PMC PMID:11389609 Europe PMC PMID:11454724 Europe PMC PMID:11975770 Europe PMC PMID:12454681 Europe PMC PMID:14681337 Europe PMC PMID:16545584 Europe PMC PMID:17525564 Europe PMC PMID:17724247 Europe PMC PMID:18093581 Europe PMC PMID:18337499 Europe PMC PMID:19125880 Europe PMC PMID:24532601 Europe PMC PMID:24577794 Europe PMC PMID:25297337 Europe PMC PMID:25331694 Europe PMC PMID:25650380 Europe PMC PMID:25968157 Europe PMC PMID:26046259 Europe PMC PMID:26504804 Europe PMC PMID:26553277 Europe PMC PMID:26567612 Europe PMC PMID:8861548 Europe PMC Reaxys:2825000 Reaxys Verapamil KEGG_COMPOUND rac-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile IUPAC verapamil ChemIDplus verapamil WHO_MedNet verapamilo ChemIDplus verapamilum ChemIDplus A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp. CAS:50471-44-8 KEGG:C10981 PMID:24072643 PMID:24333988 PMID:24388192 PMID:24497202 PMID:24636578 PMID:24995616 PMID:25019461 PMID:25051444 PMID:25111804 PMID:25161548 PMID:25190560 PMID:25324206 Pesticides:vinclozolin Reaxys:1080192 Reaxys:8331312 Wikipedia:Vinclozolin rac-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione chebi_ontology (+-)-vinclozolin (RS)-vinclozolin 3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione 3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione Vinchlozoline Vinclozoline rac-vinclozolin racemic vinclozolin CHEBI:9986 vinclozolin CAS:50471-44-8 ChemIDplus CAS:50471-44-8 KEGG COMPOUND CAS:50471-44-8 NIST Chemistry WebBook PMID:24072643 Europe PMC PMID:24333988 Europe PMC PMID:24388192 Europe PMC PMID:24497202 Europe PMC PMID:24636578 Europe PMC PMID:24995616 Europe PMC PMID:25019461 Europe PMC PMID:25051444 Europe PMC PMID:25111804 Europe PMC PMID:25161548 Europe PMC PMID:25190560 Europe PMC PMID:25324206 Europe PMC Pesticides:vinclozolin Alan Wood's Pesticides Reaxys:1080192 Reaxys Reaxys:8331312 Reaxys rac-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione IUPAC (+-)-vinclozolin ChEBI (RS)-vinclozolin ChEBI 3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione ChemIDplus 3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione ChemIDplus N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione NIST_Chemistry_WebBook Vinchlozoline ChemIDplus Vinclozoline ChemIDplus rac-vinclozolin ChEBI racemic vinclozolin ChEBI A material entity of anatomical origin (part of or deriving from an organism) that has as its parts a maximally connected cell compartment surrounded by a plasma membrane. CALOHA:TS-2035 FBbt:00007002 FMA:68646 GO:0005623 KUPO:0000002 MESH:D002477 VHOG:0001533 WBbt:0004017 XAO:0003012 The definition of cell is intended to represent all cells, and thus a cell is defined as a material entity and not an anatomical structure, which implies that it is part of an organism (or the entirety of one). cell cell A material entity of anatomical origin (part of or deriving from an organism) that has as its parts a maximally connected cell compartment surrounded by a plasma membrane. CARO:mah A exposure event involving the interaction of an exposure receptor to radiation. radiation exposure exposure to radiation A exposure event involving the interaction of an exposure receptor to electromagnetic radiation. electromagnetic radiation exposure exposure to electromagnetic radiation A exposure event involving the interaction of an exposure receptor to ultraviolet radiation. ultraviolet radiation exposure exposure to ultraviolet radiation A exposure event involving the interaction of an exposure receptor to visible spectrum radiation. visible spectrum radiation exposure exposure to visible light radiation A exposure event involving the interaction of an exposure receptor to environmental material. environmental material exposure exposure to environmental material An exposure to organic molecular entity. exposure to organic molecular entity exposure to organic compound An exposure to organic cyclic compound. exposure to organic cyclic compound exposure to organic cyclic compound An exposure to methotrexate. exposure to methotrexate exposure to methotrexate An exposure to corticosteroid. exposure to corticosteroid exposure to corticosteroid An exposure to lipid. exposure to lipid exposure to lipid An exposure to carbon monoxide. exposure to carbon monoxide exposure to carbon monoxide An exposure to chemical entity. exposure to chemical entity exposure to chemical An exposure to steroid hormone. exposure to steroid hormone exposure to steroid hormone An exposure to glucocorticoid. exposure to glucocorticoid exposure to glucocorticoid An exposure to oxygen molecular entity. exposure to oxygen molecular entity exposure to oxygen molecular entity An exposure to formaldehyde. exposure to formaldehyde exposure to formaldehyde An exposure to transition element molecular entity. exposure to transition element molecular entity exposure to transition element An exposure to biological role. exposure to biological role exposure to chemical with biological effect An exposure to application. exposure to application exposure to chemical with application An exposure to chemical role. exposure to chemical role exposure to chemical with chemical role An exposure to alkylating agent. exposure to alkylating agent exposure to alkylating agent An exposure to drug. exposure to drug exposure to drug An exposure to herbicide. exposure to herbicide exposure to herbicide An exposure to hormone. exposure to hormone exposure to hormone An exposure to mitochondrial respiratory-chain inhibitor. exposure to mitochondrial respiratory-chain inhibitor exposure to mitochondrial respiratory-chain inhibitor An exposure to mutagen. exposure to mutagen exposure to mutagen An exposure to mycotoxin. exposure to mycotoxin exposure to mycotoxin An exposure to neurotransmitter. exposure to neurotransmitter exposure to neurotransmitter An exposure to pesticide. exposure to pesticide exposure to pesticide An exposure to toxin. exposure to toxin exposure to toxin An exposure to molecular messenger. exposure to molecular messenger exposure to molecular messenger An exposure to antimicrobial agent. exposure to antimicrobial agent exposure to antimicrobial agent An exposure to inhibitor. exposure to inhibitor exposure to inhibitor An exposure to vasodilator agent. exposure to vasodilator agent exposure to vasodilator agent An exposure to EC 1.9.3.1 (cytochrome c oxidase) inhibitor. exposure to EC 1.9.3.1 (cytochrome c oxidase) inhibitor exposure to EC 1.9.3.1 (cytochrome c oxidase) inhibitor An exposure to Bronsted acid. exposure to Bronsted acid exposure to Bronsted acid An exposure to disinfectant. exposure to disinfectant exposure to disinfectant An exposure to agonist. exposure to agonist exposure to agonist An exposure to P450 inhibitor. exposure to P450 inhibitor exposure to P450 inhibitor An exposure to probe. exposure to probe exposure to probe An exposure to genotoxin. exposure to genotoxin exposure to genotoxin An exposure to carcinogenic agent. exposure to carcinogenic agent exposure to carcinogenic agent An exposure to allergen. exposure to allergen exposure to allergen An exposure to neurotoxin. exposure to neurotoxin exposure to neurotoxin An exposure to ligand. exposure to ligand exposure to ligand An exposure to biomarker. exposure to biomarker exposure to biomarker An exposure to signalling molecule. exposure to signalling molecule exposure to signalling molecule An exposure to EC 3.5.1.4 (amidase) inhibitor. exposure to EC 3.5.1.4 (amidase) inhibitor exposure to EC 3.5.1.4 (amidase) inhibitor An exposure to environmental contaminant. exposure to environmental contaminant exposure to environmental contaminant A exposure event involving the interaction of an exposure receptor to temperature of environmental material. temperature of environmental material exposure exposure to temperature of environmental surroundings A exposure event involving the interaction of an exposure receptor to temperature of air. temperature of air exposure exposure to temperature of air in surroundings A exposure event involving the interaction of an exposure receptor to decreased amount of temperature of air. exposure to decreased amount in temperature of air exposure to decreased air temperature A exposure event involving the interaction of an exposure receptor to decreased temperature. decreased temperature exposure exposure to decreased temperature An exposure event involving Alcohol Consumption Alcohol Consumption exposure exposure to alcohol consumption An exposure to aflatoxin. exposure to aflatoxin exposure to aflatoxin An exposure to organochlorine compound. exposure to organochlorine compound exposure to organochlorine compound An exposure to cadmium molecular entity. exposure to cadmium molecular entity exposure to cadmium An exposure to mercury molecular entity. exposure to mercury molecular entity exposure to mercury An exposure event involving Occupation Occupation exposure exposure to occupation An exposure to chloroacetic acid. exposure to chloroacetic acid exposure to chloroacetic acid An exposure to steroid. exposure to steroid exposure to steroid A exposure event involving the interaction of an exposure receptor to quality. quality exposure exposure to environmental quality A exposure event involving the interaction of an exposure receptor to qualitative. qualitative exposure exposure to qualitative environmental quality A exposure event involving the interaction of an exposure receptor to process quality. process quality exposure exposure to environmental process quality A exposure event involving the interaction of an exposure receptor to physical object quality. physical object quality exposure exposure to environmental physical object quality An exposure event involving Automotive Occupations Automotive Occupations exposure exposure to automotive occupations obsolete exposure to a diet true obsolete exposure to high vegetable diet true An exposure to probiotic or bacteria supplement via ingestion. probiotic or bacteria supplement exposure via ingestion exposure to probiotic or bacteria supplement via ingestion An exposure to skim milk (pasteurized, vitamin A and D fortified) via ingestion. skim milk (pasteurized, vitamin A and D fortified) exposure via ingestion exposure to skim milk via ingestion An exposure to lowfat cow milk (1% fat) via ingestion. lowfat cow milk (1% fat) exposure via ingestion exposure to lowfat milk via ingestion An exposure to cow whole milk 3.5% fat via ingestion. cow whole milk 3.5% fat exposure via ingestion exposure to whole milk via ingestion An exposure to almond milk via ingestion. almond milk exposure via ingestion exposure to almond milk via ingestion An exposure to soybean milk via ingestion. soybean milk exposure via ingestion exposure to soybean milk via ingestion An exposure to milk beverage analog via ingestion. milk beverage analog exposure via ingestion exposure to milk beverage analog via ingestion An exposure to heavy cream via ingestion. heavy cream exposure via ingestion exposure to heavy cream via ingestion An exposure to imitation half and half via ingestion. imitation half and half exposure via ingestion exposure to imitation half and half via ingestion An exposure to frozen yogurt via ingestion. frozen yogurt exposure via ingestion exposure to frozen yogurt via ingestion An exposure to ice cream food product via ingestion. ice cream food product exposure via ingestion exposure to ice cream via ingestion An exposure to butter via ingestion. butter exposure via ingestion exposure to butter via ingestion An exposure to margarine via ingestion. margarine exposure via ingestion exposure to margarine via ingestion An exposure to butter blend spread via ingestion. butter blend spread exposure via ingestion exposure to butter spread via ingestion An exposure to yogurt (nonfat) via ingestion. yogurt (nonfat) exposure via ingestion exposure to non fat yogurt via ingestion An exposure to yogurt (lowfat) via ingestion. yogurt (lowfat) exposure via ingestion exposure to lowfat yogurt via ingestion An exposure to yogurt (plain) via ingestion. yogurt (plain) exposure via ingestion exposure to regular yogurt via ingestion An exposure to cottage cheese (lowfat) via ingestion. cottage cheese (lowfat) exposure via ingestion exposure to cottage cheese via ingestion An exposure to cream cheese via ingestion. cream cheese exposure via ingestion exposure to cream cheese via ingestion An exposure to cheese (lowfat) via ingestion. cheese (lowfat) exposure via ingestion exposure to lowfat cheese via ingestion An exposure to cheese (natural) via ingestion. cheese (natural) exposure via ingestion exposure to cheese (natural) via ingestion An exposure to apple (whole) via ingestion. apple (whole) exposure via ingestion exposure to apple via ingestion An exposure to avocado (whole, raw) via ingestion. avocado (whole, raw) exposure via ingestion exposure to avocado via ingestion An exposure to banana (whole) via ingestion. banana (whole) exposure via ingestion exposure to banana via ingestion An exposure to blueberry (whole, raw) via ingestion. blueberry (whole, raw) exposure via ingestion exposure to blueberries via ingestion An exposure to cantaloupe (whole, raw) via ingestion. cantaloupe (whole, raw) exposure via ingestion exposure to cantaloupe via ingestion An exposure to grape (whole, raw) via ingestion. grape (whole, raw) exposure via ingestion exposure to grapes via ingestion An exposure to grapefruit (whole, raw) via ingestion. grapefruit (whole, raw) exposure via ingestion exposure to grapefruit via ingestion An exposure to navel orange (whole, raw) via ingestion. navel orange (whole, raw) exposure via ingestion exposure to navel orange via ingestion An exposure to peach (whole, raw) via ingestion. peach (whole, raw) exposure via ingestion exposure to peach via ingestion An exposure to plum (whole, raw) via ingestion. plum (whole, raw) exposure via ingestion exposure to plum via ingestion An exposure to apricot (whole, raw) via ingestion. apricot (whole, raw) exposure via ingestion exposure to apricot via ingestion An exposure to pear (whole, raw) via ingestion. pear (whole, raw) exposure via ingestion exposure to pear via ingestion An exposure to raspberry (whole, raw) via ingestion. raspberry (whole, raw) exposure via ingestion exposure to raspberry via ingestion An exposure to strawberry (whole, raw) via ingestion. strawberry (whole, raw) exposure via ingestion exposure to strawberry via ingestion An exposure to tomato (whole) via ingestion. tomato (whole) exposure via ingestion exposure to tomato via ingestion An exposure to tomato juice via ingestion. tomato juice exposure via ingestion exposure to tomato juice via ingestion An exposure to tomato sauce via ingestion. tomato sauce exposure via ingestion exposure to tomato sauce via ingestion An exposure to watermelon (whole, raw) via ingestion. watermelon (whole, raw) exposure via ingestion exposure to watermelon via ingestion An exposure to bean (whole) via ingestion. bean (whole) exposure via ingestion exposure to bean via ingestion An exposure to lentil (whole) via ingestion. lentil (whole) exposure via ingestion exposure to lentil via ingestion An exposure to bell pepper (whole) via ingestion. bell pepper (whole) exposure via ingestion exposure to bell pepper via ingestion An exposure to broccoli floret (whole, raw) via ingestion. broccoli floret (whole, raw) exposure via ingestion exposure to broccoli via ingestion An exposure to brussels sprout (whole) via ingestion. brussels sprout (whole) exposure via ingestion exposure to brussels sprout via ingestion An exposure to cabbage head via ingestion. cabbage head exposure via ingestion exposure to cabbage via ingestion An exposure to carrot root (whole) via ingestion. carrot root (whole) exposure via ingestion exposure to carrot via ingestion An exposure to cauliflower floret (whole) via ingestion. cauliflower floret (whole) exposure via ingestion exposure to cauliflower via ingestion An exposure to corn kernel (whole) via ingestion. corn kernel (whole) exposure via ingestion exposure to corn via ingestion An exposure to eggplant (whole) via ingestion. eggplant (whole) exposure via ingestion exposure to eggplant via ingestion An exposure to zucchini squash (whole) via ingestion. zucchini squash (whole) exposure via ingestion exposure to zucchini via ingestion An exposure to squash (whole) via ingestion. squash (whole) exposure via ingestion exposure to squash via ingestion An exposure to kale leaf (whole, raw) via ingestion. kale leaf (whole, raw) exposure via ingestion exposure to kale via ingestion An exposure to collard leaf (whole, raw) via ingestion. collard leaf (whole, raw) exposure via ingestion exposure to collard greens via ingestion An exposure to mustard greens via ingestion. mustard greens exposure via ingestion exposure to mustard greens via ingestion An exposure to swiss chard leaf (whole) via ingestion. swiss chard leaf (whole) exposure via ingestion exposure to swiss chard via ingestion An exposure to onion (whole, raw) via ingestion. onion (whole, raw) exposure via ingestion exposure to onion via ingestion An exposure to pea (whole) via ingestion. pea (whole) exposure via ingestion exposure to peas via ingestion An exposure to baby lima bean (whole) via ingestion. baby lima bean (whole) exposure via ingestion exposure to lima bean via ingestion An exposure to spinach leaf (whole) via ingestion. spinach leaf (whole) exposure via ingestion exposure to spinach leaf (whole) via ingestion An exposure to spinach leaf (whole, raw) via ingestion. spinach leaf (whole, raw) exposure via ingestion exposure to spinach leaf (whole, raw) via ingestion An exposure to saccharin via ingestion. saccharin exposure via ingestion exposure to saccharin via ingestion An exposure to green bean pod (whole) via ingestion. green bean pod (whole) exposure via ingestion exposure to green bean via ingestion An exposure to tofu food product via ingestion. tofu food product exposure via ingestion exposure to tofu via ingestion An exposure to vegetarian burger via ingestion. vegetarian burger exposure via ingestion exposure to vegetarian burger via ingestion An exposure to miso via ingestion. miso exposure via ingestion exposure to miso via ingestion An exposure to soybean (whole) via ingestion. soybean (whole) exposure via ingestion exposure to soybean via ingestion An exposure to squash (whole, raw) via ingestion. squash (whole, raw) exposure via ingestion exposure to winter squash via ingestion An exposure to yam (whole) via ingestion. yam (whole) exposure via ingestion exposure to yam via ingestion An exposure to sweet potato (whole) via ingestion. sweet potato (whole) exposure via ingestion exposure to sweet potato via ingestion An exposure to hen egg (whole) via ingestion. hen egg (whole) exposure via ingestion exposure to egg via ingestion An exposure to hot dog via ingestion. hot dog exposure via ingestion exposure to hotdog via ingestion An exposure to pork sausage (oven-cooked) via ingestion. pork sausage (oven-cooked) exposure via ingestion exposure to pork sausage via ingestion An exposure to chicken frankfurter via ingestion. chicken frankfurter exposure via ingestion exposure to chicken frankfurter via ingestion An exposure to turkey sausage via ingestion. turkey sausage exposure via ingestion exposure to turkey sausage via ingestion An exposure to poultry (cooked) via ingestion. poultry (cooked) exposure via ingestion exposure to poultry via ingestion An exposure to bacon (fried) via ingestion. bacon (fried) exposure via ingestion exposure to bacon (fried) via ingestion An exposure to bacon (baked) via ingestion. bacon (baked) exposure via ingestion exposure to bacon (baked) via ingestion An exposure to luncheon meat via ingestion. luncheon meat exposure via ingestion exposure to luncheon meat via ingestion An exposure to salami via ingestion. salami exposure via ingestion exposure to salami via ingestion An exposure to bologna via ingestion. bologna exposure via ingestion exposure to bologna via ingestion An exposure to beef sausage via ingestion. beef sausage exposure via ingestion exposure to beef sausage via ingestion An exposure to Kielbasa via ingestion. Kielbasa exposure via ingestion exposure to kielbasa via ingestion An exposure to meat (processed) via ingestion. meat (processed) exposure via ingestion exposure to meat (processed) via ingestion An exposure to processed meat food product via ingestion. processed meat food product exposure via ingestion exposure to processed meat food product via ingestion An exposure to ground beef (cooked) via ingestion. ground beef (cooked) exposure via ingestion exposure to ground beef via ingestion An exposure to beef hamburger (dish) via ingestion. beef hamburger (dish) exposure via ingestion exposure to beef hamburger (dish) via ingestion An exposure to beef (cooked) via ingestion. beef (cooked) exposure via ingestion exposure to beef (cooked) via ingestion An exposure to pork (cooked) via ingestion. pork (cooked) exposure via ingestion exposure to pork via ingestion An exposure to lamb (roasted) via ingestion. lamb (roasted) exposure via ingestion exposure to lamb via ingestion An exposure to ham (sliced, cooked) via ingestion. ham (sliced, cooked) exposure via ingestion exposure to ham (sliced, cooked) via ingestion An exposure to tuna (white, solid pack, canned in water) via ingestion. tuna (white, solid pack, canned in water) exposure via ingestion exposure to canned tuna via ingestion An exposure to shrimp via ingestion. shrimp exposure via ingestion exposure to shrimp via ingestion An exposure to lobster (whole) via ingestion. lobster (whole) exposure via ingestion exposure to lobster via ingestion An exposure to scallop via ingestion. scallop exposure via ingestion exposure to scallops via ingestion An exposure to tuna steak via ingestion. tuna steak exposure via ingestion exposure to tuna steak via ingestion An exposure to mackerel via ingestion. mackerel exposure via ingestion exposure to mackerel via ingestion An exposure to salmon via ingestion. salmon exposure via ingestion exposure to salmon via ingestion An exposure to sardine via ingestion. sardine exposure via ingestion exposure to sardine via ingestion An exposure to bluefish food product via ingestion. bluefish food product exposure via ingestion exposure to bluefish via ingestion An exposure to swordfish food product via ingestion. swordfish food product exposure via ingestion exposure to swordfish via ingestion An exposure to cod via ingestion. cod exposure via ingestion exposure to cod via ingestion An exposure to haddock (raw) via ingestion. haddock (raw) exposure via ingestion exposure to haddock (raw) via ingestion An exposure to halibut via ingestion. halibut exposure via ingestion exposure to halibut via ingestion An exposure to cereal (dry) via ingestion. cereal (dry) exposure via ingestion exposure to cold cereal via ingestion An exposure to oatmeal (cooked) via ingestion. oatmeal (cooked) exposure via ingestion exposure to cooked oatmeal via ingestion An exposure to oat bran via ingestion. oat bran exposure via ingestion exposure to cooked oat bran via ingestion An exposure to breakfast cereal (cooked) via ingestion. breakfast cereal (cooked) exposure via ingestion exposure to cooked breakfast cereal via ingestion An exposure to whole wheat cracker via ingestion. whole wheat cracker exposure via ingestion exposure to whole wheat crackers via ingestion An exposure to cracker via ingestion. cracker exposure via ingestion exposure to crackers via ingestion An exposure to white bread via ingestion. white bread exposure via ingestion exposure to white bread via ingestion An exposure to pita bread via ingestion. pita bread exposure via ingestion exposure to pita bread via ingestion An exposure to rye bread (enriched) via ingestion. rye bread (enriched) exposure via ingestion exposure to rye bread via ingestion An exposure to pumpernickel bread via ingestion. pumpernickel bread exposure via ingestion exposure to pumpernickel bread via ingestion An exposure to whole wheat bread via ingestion. whole wheat bread exposure via ingestion exposure to whole wheat bread via ingestion An exposure to multigrain bread via ingestion. multigrain bread exposure via ingestion exposure to multigrain bread via ingestion An exposure to bagel via ingestion. bagel exposure via ingestion exposure to bagel via ingestion An exposure to english muffin via ingestion. english muffin exposure via ingestion exposure to english muffin via ingestion An exposure to wheat roll or bun via ingestion. wheat roll or bun exposure via ingestion exposure to bread roll via ingestion An exposure to muffin via ingestion. muffin exposure via ingestion exposure to muffin via ingestion An exposure to biscuit (quick bread) via ingestion. biscuit (quick bread) exposure via ingestion exposure to biscuit via ingestion An exposure to pancake via ingestion. pancake exposure via ingestion exposure to pancake via ingestion An exposure to waffle via ingestion. waffle exposure via ingestion exposure to waffle via ingestion An exposure to brown rice via ingestion. brown rice exposure via ingestion exposure to brown rice via ingestion An exposure to white rice (whole) via ingestion. white rice (whole) exposure via ingestion exposure to white rice via ingestion An exposure to pasta via ingestion. pasta exposure via ingestion exposure to pasta via ingestion An exposure to spaghetti macaroni (enriched) via ingestion. spaghetti macaroni (enriched) exposure via ingestion exposure to spaghetti noodle via ingestion An exposure to couscous (whole, dried) via ingestion. couscous (whole, dried) exposure via ingestion exposure to couscous via ingestion An exposure to tortilla via ingestion. tortilla exposure via ingestion exposure to tortilla via ingestion An exposure to potato (french-fried) via ingestion. potato (french-fried) exposure via ingestion exposure to french fries via ingestion An exposure to potato (whole) via ingestion. potato (whole) exposure via ingestion exposure to potato via ingestion An exposure to pizza food product via ingestion. pizza food product exposure via ingestion exposure to pizza via ingestion An exposure to tea (decaffeinated) via ingestion. tea (decaffeinated) exposure via ingestion exposure to tea (decaffeinated) via ingestion An exposure to tea (steeped) via ingestion. tea (steeped) exposure via ingestion exposure to tea (steeped) via ingestion An exposure to coffee (liquid drink) via ingestion. coffee (liquid drink) exposure via ingestion exposure to coffee (liquid beverage) via ingestion An exposure to spring water via ingestion. spring water exposure via ingestion exposure to water via ingestion An exposure to soda water via ingestion. soda water exposure via ingestion exposure to sparkling water via ingestion An exposure to milk chocolate via ingestion. milk chocolate exposure via ingestion exposure to milk chocolate via ingestion An exposure to dark chocolate via ingestion. dark chocolate exposure via ingestion exposure to dark chocolate via ingestion An exposure to candy via ingestion. candy exposure via ingestion exposure to candy via ingestion An exposure to cookie via ingestion. cookie exposure via ingestion exposure to cookie via ingestion An exposure to chocolate brownie via ingestion. chocolate brownie exposure via ingestion exposure to brownie via ingestion An exposure to doughnut via ingestion. doughnut exposure via ingestion exposure to doughnut via ingestion An exposure to pastry via ingestion. pastry exposure via ingestion exposure to pastry via ingestion An exposure to cake food product via ingestion. cake food product exposure via ingestion exposure to cake via ingestion An exposure to pie (baked) via ingestion. pie (baked) exposure via ingestion exposure to pie via ingestion An exposure to jam via ingestion. jam exposure via ingestion exposure to jam via ingestion An exposure to fruit jelly food product via ingestion. fruit jelly food product exposure via ingestion exposure to jelly via ingestion An exposure to fruit preserves via ingestion. fruit preserves exposure via ingestion exposure to preserve via ingestion An exposure to honey food product via ingestion. honey food product exposure via ingestion exposure to honey via ingestion An exposure to syrup via ingestion. syrup exposure via ingestion exposure to syrup via ingestion An exposure to peanut butter via ingestion. peanut butter exposure via ingestion exposure to peanut butter via ingestion An exposure to potato chip via ingestion. potato chip exposure via ingestion exposure to potato chips via ingestion An exposure to pretzel via ingestion. pretzel exposure via ingestion exposure to pretzels via ingestion An exposure to peanut (whole) via ingestion. peanut (whole) exposure via ingestion exposure to peanut via ingestion An exposure to walnut (whole, raw) via ingestion. walnut (whole, raw) exposure via ingestion exposure to walnuts via ingestion An exposure to nut (whole or parts) via ingestion. nut (whole or parts) exposure via ingestion exposure to nuts via ingestion An exposure to olive oil (extra-virgin) via ingestion. olive oil (extra-virgin) exposure via ingestion exposure to olive oil (extra virgin) via ingestion An exposure to mayonnaise via ingestion. mayonnaise exposure via ingestion exposure to mayonnaise via ingestion An exposure to salad dressing via ingestion. salad dressing exposure via ingestion exposure to salad dressing via ingestion An exposure to aspartame via ingestion. aspartame exposure via ingestion exposure to aspartame via ingestion An exposure to sugar (granulated) via ingestion. sugar (granulated) exposure via ingestion exposure to sugar (granulated) via ingestion An exposure to black cohosh supplement via ingestion. black cohosh supplement exposure via ingestion exposure to black cohosh supplement via ingestion An exposure to coenzyme Q10 supplement via ingestion. coenzyme Q10 supplement exposure via ingestion exposure to coenzyme Q10 supplement via ingestion An exposure to fish oil supplement via ingestion. fish oil supplement exposure via ingestion exposure to fish oil supplement via ingestion An exposure to flaxseed oil supplement via ingestion. flaxseed oil supplement exposure via ingestion exposure to flaxseed oil supplement via ingestion An exposure to ginkgo biloba supplement via ingestion. ginkgo biloba supplement exposure via ingestion exposure to ginkgo biloba supplement via ingestion An exposure to ginseng supplement via ingestion. ginseng supplement exposure via ingestion exposure to ginseng supplement via ingestion An exposure to glucosamine supplement via ingestion. glucosamine supplement exposure via ingestion exposure to glucosamine supplement via ingestion An exposure to melatonin supplement via ingestion. melatonin supplement exposure via ingestion exposure to melatonin supplement via ingestion An exposure to milk thistle supplement via ingestion. milk thistle supplement exposure via ingestion exposure to milk thistle supplement via ingestion An exposure to omega-3- fatty acid supplement via ingestion. omega-3- fatty acid supplement exposure via ingestion exposure to omega-3- fatty acid supplement via ingestion An exposure to red yeast rice supplement via ingestion. red yeast rice supplement exposure via ingestion exposure to red yeast rice supplement via ingestion An exposure to resveratrol supplement via ingestion. resveratrol supplement exposure via ingestion exposure to resveratrol supplement via ingestion An exposure to St. John's wort supplement via ingestion. St. John's wort supplement exposure via ingestion exposure to St. John's wort supplement via ingestion An exposure to butter (unsalted) via ingestion. butter (unsalted) exposure via ingestion exposure to butter (unsalted) via ingestion An exposure to butter (salted) via ingestion. butter (salted) exposure via ingestion exposure to butter (salted) via ingestion An exposure to peanut butter (creamy) via ingestion. peanut butter (creamy) exposure via ingestion exposure to peanut butter (smooth) via ingestion An exposure to Williams pear (whole) via ingestion. Williams pear (whole) exposure via ingestion exposure to Williams pear via ingestion An exposure to red onion (whole, raw) via ingestion. red onion (whole, raw) exposure via ingestion exposure to red onion via ingestion An exposure to white onion (whole, raw) via ingestion. white onion (whole, raw) exposure via ingestion exposure to white onion via ingestion An exposure to yellow onion (whole, raw) via ingestion. yellow onion (whole, raw) exposure via ingestion exposure to yellow onion via ingestion An exposure to stone fruit food product via ingestion. stone fruit food product exposure via ingestion exposure to stone fruit via ingestion An exposure to legume food product via ingestion. legume food product exposure via ingestion exposure to legume food product via ingestion An exposure to plant leaf vegetable food product via ingestion. plant leaf vegetable food product exposure via ingestion exposure to plant leaf vegetable food product via ingestion An exposure to bacon (whole cut or parts) via ingestion. bacon (whole cut or parts) exposure via ingestion exposure to bacon (whole cut or parts) via ingestion An exposure to poultry (processed) via ingestion. poultry (processed) exposure via ingestion exposure to poultry (processed) via ingestion An exposure to red meat (raw) via ingestion. red meat (raw) exposure via ingestion exposure to red meat (raw) via ingestion An exposure to shellfish via ingestion. shellfish exposure via ingestion exposure to shellfish via ingestion An exposure to whitefish (fisheries term) via ingestion. whitefish (fisheries term) exposure via ingestion exposure to whitefish via ingestion An exposure to spinach (cooked) via ingestion. spinach (cooked) exposure via ingestion exposure to spinach (cooked) via ingestion An exposure to whole grain bread via ingestion. whole grain bread exposure via ingestion exposure to whole grain bread via ingestion An exposure to whole oat bread via ingestion. whole oat bread exposure via ingestion exposure to whole oat bread via ingestion An exposure to diet soft drink (caffeinated) via ingestion. diet soft drink (caffeinated) exposure via ingestion exposure to soft drink (diet, caffeinated) via ingestion An exposure to soft drink (caffeinated) via ingestion. soft drink (caffeinated) exposure via ingestion exposure to soft drink (caffeinated) via ingestion An exposure to tea (liquid, decafeinated) via ingestion. tea (liquid, decafeinated) exposure via ingestion exposure to tea (liquid, decaffeinated) via ingestion An exposure to tea (liquid, caffeinated) via ingestion. tea (liquid, caffeinated) exposure via ingestion exposure to tea (liquid, caffeinated) via ingestion An exposure to coffee (liquid, decafeinated) via ingestion. coffee (liquid, decafeinated) exposure via ingestion exposure to coffee (liquid, decaffeinated) via ingestion An exposure to dairy-based coffee drink via ingestion. dairy-based coffee drink exposure via ingestion exposure to dairy-based coffee drink via ingestion An exposure to cow milk cheese (nonfat) via ingestion. cow milk cheese (nonfat) exposure via ingestion exposure to cow milk cheese (nonfat) via ingestion An exposure to winter squash (whole) via ingestion. winter squash (whole) exposure via ingestion exposure to winter squash (whole) via ingestion An exposure to sucralose-based sweetener via ingestion. sucralose-based sweetener exposure via ingestion exposure to sucralose-based sweetener via ingestion An exposure to aspartame-based sweetener via ingestion. aspartame-based sweetener exposure via ingestion exposure to aspartame-based sweetener via ingestion An exposure to saccharin-based sweetener via ingestion. saccharin-based sweetener exposure via ingestion exposure to saccharin-based sweetener via ingestion An exposure to cow milk (liquid) via ingestion. cow milk (liquid) exposure via ingestion exposure to cow milk (liquid) via ingestion An exposure to high mercury food material via ingestion. high mercury food material exposure via ingestion exposure to high mercury food material via ingestion An exposure to rice milk beverage via ingestion. rice milk beverage exposure via ingestion exposure to rice milk via ingestion An exposure to coconut milk via ingestion. coconut milk exposure via ingestion exposure to coconut milk via ingestion An exposure to cashew milk via ingestion. cashew milk exposure via ingestion exposure to cashew milk via ingestion An exposure to dark fish flesh via ingestion. dark fish flesh exposure via ingestion exposure to dark fish flesh via ingestion An exposure to multivitamin preparation via ingestion. multivitamin preparation exposure via ingestion exposure to multivitamin preparation via ingestion An exposure to arsenic atom mixed in liquid water via ingestion. arsenic atom exposure in liquid water via ingestion exposure to arsenic in water via ingestion An exposure to polycyclic hydrocarbon mixed in air via inhalation. polycyclic hydrocarbon exposure in air via inhalation exposure to polycyclic hydrocarbon in air via inhalation An exposure to chlorpyrifos mixed in apple (whole) via ingestion. chlorpyrifos exposure in apple (whole) via ingestion exposure to chlorpyrifos in apple via ingestion An exposure to lead molecular entity mixed in liquid water via ingestion. lead molecular entity exposure in liquid water via ingestion exposure to lead in water via ingestion An exposure to hydrogen chloride mixed in air via inhalation. hydrogen chloride exposure in air via inhalation exposure to hydrogen chloride in air via inhalation An exposure to radon molecular entity mixed in air via inhalation. radon molecular entity exposure in air via inhalation exposure to radon in air via inhalation An exposure to calcium molecular entity mixed in liquid water via ingestion. calcium molecular entity exposure in liquid water via ingestion exposure to calcium in water via ingestion An exposure to magnesium molecular entity mixed in liquid water via ingestion. magnesium molecular entity exposure in liquid water via ingestion exposure to magnesium in water via ingestion An exposure to glucose mixed in food product. glucose exposure in food product exposure to glucose in food An exposure to fructose mixed in food product. fructose exposure in food product exposure to fructose in food An exposure to sucrose mixed in food product. sucrose exposure in food product exposure to sucrose in food An exposure to protein mixed in food product. protein exposure in food product exposure to protein in food An exposure to monosaccharide mixed in food product. monosaccharide exposure in food product exposure to monosaccharide in food An exposure to cholesterol mixed in food product. cholesterol exposure in food product exposure to cholesterol in food An exposure to triglyceride mixed in food product. triglyceride exposure in food product exposure to triglyceride in food An exposure to low-density lipoprotein mixed in food product. low-density lipoprotein exposure in food product exposure to low-density lipoprotein in food An exposure to high-density lipoprotein mixed in food product. high-density lipoprotein exposure in food product exposure to high-density lipoprotein in food An exposure to lipid mixed in food product. lipid exposure in food product exposure to lipid in food An exposure to paraquat mixed in air. paraquat exposure in air exposure to paraquat in air An exposure to paraquat mixed in soil. paraquat exposure in soil exposure to paraquat in soil An exposure to paraquat mixed in liquid water. paraquat exposure in liquid water exposure to paraquat in water An exposure to DDT mixed in air. DDT exposure in air exposure to DDT in air An exposure to DDT mixed in soil. DDT exposure in soil exposure to DDT in soil An exposure to DDT mixed in liquid water. DDT exposure in liquid water exposure to DDT in water An exposure event involving nicotine consumption of an addictive substance nicotine consumption of an addictive substance exposure exposure to nicotine addictive consumption An exposure event involving ethanol consumption of an addictive substance ethanol consumption of an addictive substance exposure exposure to drinking alcohol An exposure event involving nicotine smoking behavior nicotine smoking behavior exposure exposure to smoking nicotine An exposure event involving nicotine cigarette smoking behavior nicotine cigarette smoking behavior exposure exposure to cigarette smoking An exposure event involving nicotine cigar smoking behavior nicotine cigar smoking behavior exposure exposure to cigar smoking An exposure event involving Cannabis sativa consumption of an addictive substance Cannabis sativa consumption of an addictive substance exposure exposure to cannabis An exposure event involving morphinane alkaloid consumption of an addictive substance morphinane alkaloid consumption of an addictive substance exposure exposure to morphiane alkaloid An exposure event involving cocaine consumption of an addictive substance cocaine consumption of an addictive substance exposure exposure to cocaine addictive consumption An exposure event involving methamphetamine consumption of an addictive substance methamphetamine consumption of an addictive substance exposure exposure to methamphetamine addictive consumption An exposure event involving heroin consumption of an addictive substance heroin consumption of an addictive substance exposure exposure to heroin addictive consumption An exposure event involving nicotine pipe smoking behavior nicotine pipe smoking behavior exposure exposure to tobacco pipe smoking An exposure event involving nicotine tobacco chewing behavior nicotine tobacco chewing behavior exposure exposure to tobacco chewing An exposure event involving nicotine snuffing behavior nicotine snuffing behavior exposure exposure to snuffing An exposure event involving nicotine tobacco consumption nicotine tobacco consumption exposure exposure to tobacco An exposure to inhaled corticosteroid agent therapy via inhalation. exposure to inhaled corticosteroid agent therapy via inhalation exposure to corticosteroid therapy via inhalation An exposure to glycemic agent therapy via ingestion. exposure to glycemic agent therapy via ingestion exposure to glycemic agent therapy via ingestion An exposure to anticoagulant agent therapy via ingestion. exposure to anticoagulant agent therapy via ingestion exposure to anticoagulant therapy via ingestion An exposure to pharmacotherapy via maternal. exposure to pharmacotherapy via maternal exposure to maternal pharmacotherapy An exposure event involving nicotine consumption of an addictive substance via maternal nicotine consumption of an addictive substance exposure via maternal exposure to nicotine via maternal An exposure event involving ethanol consumption of an addictive substance via maternal ethanol consumption of an addictive substance exposure via maternal exposure to drinking alcohol via maternal An exposure event involving nicotine smoking behavior via maternal nicotine smoking behavior exposure via maternal exposure to smoking nicotine via maternal An exposure event involving nicotine cigarette smoking behavior via maternal nicotine cigarette smoking behavior exposure via maternal exposure to cigarette smoking via maternal An exposure event involving nicotine cigar smoking behavior via maternal nicotine cigar smoking behavior exposure via maternal exposure to cigar smoking via maternal An exposure event involving morphinane alkaloid consumption of an addictive substance via maternal morphinane alkaloid consumption of an addictive substance exposure via maternal exposure to morphiane alkaloid via maternal An exposure event involving cocaine consumption of an addictive substance via maternal cocaine consumption of an addictive substance exposure via maternal exposure to cocaine via maternal An exposure event involving methamphetamine consumption of an addictive substance via maternal methamphetamine consumption of an addictive substance exposure via maternal exposure to methamphetamine via maternal An exposure event involving heroin consumption of an addictive substance via maternal heroin consumption of an addictive substance exposure via maternal exposure to heroin via maternal An exposure event involving cannabinoid consumption of an addictive substance via maternal cannabinoid consumption of an addictive substance exposure via maternal exposure to cannabinoid via maternal An exposure event involving opioid agent consumption of an addictive substance via maternal opioid agent consumption of an addictive substance exposure via maternal exposure to opioid agent via maternal A exposure event involving the interaction of an exposure receptor to layer. layer exposure exposure to environmental layer A exposure event involving the interaction of an exposure receptor to increased amount of salt in liquid water. increased amount exposure to salt in liquid water exposure to increased salt in water A exposure event involving the interaction of an exposure receptor to decreased amount of salt in liquid water. decreased amount exposure to salt in liquid water exposure to decreased salt in water A exposure event involving the interaction of an exposure receptor to increased amount of salt in soil. increased amount exposure to salt in soil exposure to increased salt in soil A exposure event involving the interaction of an exposure receptor to decreased amount of salt in soil. decreased amount exposure to salt in soil exposure to decreased salt in soil A exposure event involving the interaction of an exposure receptor to increased amount of methane in air. increased amount exposure to methane in air exposure to increased methane in air A exposure event involving the interaction of an exposure receptor to decreased amount of methane in air. decreased amount exposure to methane in air exposure to decreased methane in air A exposure event involving the interaction of an exposure receptor to increased amount of glucose in obsolete food product. increased amount exposure to glucose in obsolete food product exposure to increased glucose in food A exposure event involving the interaction of an exposure receptor to increased amount of fructose in obsolete food product. increased amount exposure to fructose in obsolete food product exposure to increased fructose in food A exposure event involving the interaction of an exposure receptor to increased amount of sucrose in obsolete food product. increased amount exposure to sucrose in obsolete food product exposure to increased sucrose in food A exposure event involving the interaction of an exposure receptor to increased amount of protein in obsolete food product. increased amount exposure to protein in obsolete food product exposure to increased protein in food A exposure event involving the interaction of an exposure receptor to increased amount of monosaccharide in obsolete food product. increased amount exposure to monosaccharide in obsolete food product exposure to increased monosaccharide in food A exposure event involving the interaction of an exposure receptor to increased amount of cholesterol in obsolete food product. increased amount exposure to cholesterol in obsolete food product exposure to increased cholesterol in food A exposure event involving the interaction of an exposure receptor to increased amount of triglyceride in obsolete food product. increased amount exposure to triglyceride in obsolete food product exposure to increased triglyceride in food A exposure event involving the interaction of an exposure receptor to increased amount of low-density lipoprotein in obsolete food product. increased amount exposure to low-density lipoprotein in obsolete food product exposure to increased low-density lipoprotein in food A exposure event involving the interaction of an exposure receptor to increased amount of high-density lipoprotein in obsolete food product. increased amount exposure to high-density lipoprotein in obsolete food product exposure to increased high-density lipoprotein in food A exposure event involving the interaction of an exposure receptor to decreased amount of glucose in obsolete food product. decreased amount exposure to glucose in obsolete food product exposure to decreased glucose in food A exposure event involving the interaction of an exposure receptor to decreased amount of fructose in obsolete food product. decreased amount exposure to fructose in obsolete food product exposure to decreased fructose in food A exposure event involving the interaction of an exposure receptor to decreased amount of sucrose in obsolete food product. decreased amount exposure to sucrose in obsolete food product exposure to decreased sucrose in food A exposure event involving the interaction of an exposure receptor to decreased amount of protein in obsolete food product. decreased amount exposure to protein in obsolete food product exposure to decreased protein in food A exposure event involving the interaction of an exposure receptor to decreased amount of monosaccharide in obsolete food product. decreased amount exposure to monosaccharide in obsolete food product exposure to decreased monosaccharide in food A exposure event involving the interaction of an exposure receptor to decreased amount of cholesterol in obsolete food product. decreased amount exposure to cholesterol in obsolete food product exposure to decreased cholesterol in food A exposure event involving the interaction of an exposure receptor to decreased amount of triglyceride in obsolete food product. decreased amount exposure to triglyceride in obsolete food product exposure to decreased triglyceride in food A exposure event involving the interaction of an exposure receptor to decreased amount of low-density lipoprotein in obsolete food product. decreased amount exposure to low-density lipoprotein in obsolete food product exposure to decreased low-density lipoprotein in food A exposure event involving the interaction of an exposure receptor to decreased amount of high-density lipoprotein in obsolete food product. decreased amount exposure to high-density lipoprotein in obsolete food product exposure to decreased high-density lipoprotein in food A exposure event involving the interaction of an exposure receptor to environmental disposition. environmental disposition exposure exposure to environmental disposition A exposure event involving the interaction of an exposure receptor to brake fluid. brake fluid exposure exposure to brake fluid A exposure event involving the interaction of an exposure receptor to hydraulic fluid. hydraulic fluid exposure exposure to hydraulic fluid A exposure event involving the interaction of an exposure receptor to automatic transmission fluid. automatic transmission fluid exposure exposure to automatic transmission fluid A exposure event involving the interaction of an exposure receptor to motor oil. motor oil exposure exposure to motor oil A exposure event involving the interaction of an exposure receptor to dye. dye exposure exposure to dye A exposure event involving the interaction of an exposure receptor to leather dye. leather dye exposure exposure to leather dye A exposure event involving the interaction of an exposure receptor to paper dye. paper dye exposure exposure to paper dye A exposure event involving the interaction of an exposure receptor to textile dye. textile dye exposure exposure to textile dye A exposure event involving the interaction of an exposure receptor to India ink. India ink exposure exposure to India ink A exposure event involving the interaction of an exposure receptor to fountain pen ink. fountain pen ink exposure exposure to fountain pen ink A exposure event involving the interaction of an exposure receptor to cleaning agent. cleaning agent exposure exposure to cleaning agent A exposure event involving the interaction of an exposure receptor to degreaser. degreaser exposure exposure to degreaser A exposure event involving the interaction of an exposure receptor to varnish. varnish exposure exposure to varnish A exposure event involving the interaction of an exposure receptor to resin (gum) varnish. resin (gum) varnish exposure exposure to resin (gum) varnish A exposure event involving the interaction of an exposure receptor to stain. stain exposure exposure to stain A exposure event involving the interaction of an exposure receptor to wood stain. wood stain exposure exposure to wood stain A exposure event involving the interaction of an exposure receptor to lacquer. lacquer exposure exposure to lacquer A exposure event involving the interaction of an exposure receptor to oil paint thinner. oil paint thinner exposure exposure to oil paint thinner A exposure event involving the interaction of an exposure receptor to acrylic paint medium. acrylic paint medium exposure exposure to acrylic paint medium A exposure event involving the interaction of an exposure receptor to enamel thinner. enamel thinner exposure exposure to enamel thinner A exposure event involving the interaction of an exposure receptor to vitreous enamel. vitreous enamel exposure exposure to vitreous enamel A exposure event involving the interaction of an exposure receptor to turpentine. turpentine exposure exposure to turpentine A exposure event involving the interaction of an exposure receptor to naphtha. naphtha exposure exposure to naphtha A exposure event involving the interaction of an exposure receptor to paint thinner. paint thinner exposure exposure to paint thinner A exposure event involving the interaction of an exposure receptor to manufactured product. manufactured product exposure exposure to manufactured product A exposure event involving the interaction of an exposure receptor to environmental system. environmental system exposure exposure to environmental system A exposure event involving the interaction of an exposure receptor to ultrafine respirable suspended particulate matter via inhalation. ultrafine respirable suspended particulate matter exposure via inhalation exposure to ultrafine respirable suspended particulate matter via inhalation A exposure event involving the interaction of an exposure receptor to aerosol via inhalation. aerosol exposure via inhalation exposure to aerosol via inhalation A exposure event involving the interaction of an exposure receptor to red meat (eurofir) via ingestion. red meat (eurofir) exposure via ingestion exposure to red meat via ingestion A exposure event involving the interaction of an exposure receptor to environmental system process happening in route of the receptor. environmental system process exposure in route exposure to environmental process route A exposure event involving the interaction of an exposure receptor to air pollution happening in maternal of the receptor. air pollution exposure in maternal exposure to air pollution via maternal A exposure event involving the interaction of an exposure receptor to famine happening in maternal of the receptor. famine exposure in maternal exposure to famine via maternal An exposure to steroid via ingestion. steroid exposure via ingestion exposure to oral steroids An exposure to aflatoxin via ingestion. aflatoxin exposure via ingestion exposure to aflatoxin via ingestion An exposure to antimony molecular entity via ingestion. antimony molecular entity exposure via ingestion exposure to antimony via ingestion An exposure to arsenic molecular entity via ingestion. arsenic molecular entity exposure via ingestion exposure to arsenic via ingestion An exposure to cadmium molecular entity via ingestion. cadmium molecular entity exposure via ingestion exposure to cadmium via ingestion An exposure to mercury molecular entity via ingestion. mercury molecular entity exposure via ingestion exposure to mercury via ingestion An exposure to bisphenol A via ingestion. bisphenol A exposure via ingestion exposure to bisphenol A via ingestion An exposure to monosodium glutamate via ingestion. monosodium glutamate exposure via ingestion exposure to monosodium glutamate via ingestion An exposure to disodium 5'-guanylate via ingestion. disodium 5'-guanylate exposure via ingestion exposure to disodium 5'-guanylate via ingestion An exposure to food additive via ingestion. food additive exposure via ingestion exposure to food additive via ingestion An exposure to sweetening agent via ingestion. sweetening agent exposure via ingestion exposure to sweetening agent via ingestion An exposure to food preservative via ingestion. food preservative exposure via ingestion exposure to food preservative via ingestion An exposure to food colouring via ingestion. food colouring exposure via ingestion exposure to food coloring via ingestion An exposure to flavouring agent via ingestion. flavouring agent exposure via ingestion exposure to flavoring agent via ingestion An exposure to food emulsifier via ingestion. food emulsifier exposure via ingestion exposure to food emulsifier via ingestion An exposure to cadmium cation via ingestion. cadmium cation exposure via ingestion exposure to cadmium cation via ingestion An exposure to mercury cation via ingestion. mercury cation exposure via ingestion exposure to mercury cation via ingestion An exposure to heroin via injection. heroin exposure via injection exposure to heroin via injection An exposure to heroin via inhalation. heroin exposure via inhalation exposure to heroin via inhalation An exposure to methamphetamine via injection. methamphetamine exposure via injection exposure to methamphetamine via injection An exposure to methamphetamine via inhalation. methamphetamine exposure via inhalation exposure to methamphetamine via inhalation An exposure to polycyclic hydrocarbon via maternal. polycyclic hydrocarbon exposure via maternal exposure to polycyclic hydrocarbon via maternal An exposure to vitamin A via ingestion. vitamin A exposure via ingestion exposure to vitamin A via ingestion An exposure to vitamin D via ingestion. vitamin D exposure via ingestion exposure to vitamin D via ingestion An exposure to vitamin E via ingestion. vitamin E exposure via ingestion exposure to vitamin E via ingestion An exposure to vitamin K via ingestion. vitamin K exposure via ingestion exposure to vitamin K via ingestion An exposure to http://purl.obolibrary.org/obo/CHEBI_21241 via ingestion. http://purl.obolibrary.org/obo/CHEBI_21241 exposure via ingestion exposure to vitamin C via ingestion An exposure to B vitamin via ingestion. B vitamin exposure via ingestion exposure to vitamin B via ingestion An exposure to vitamin B6 via ingestion. vitamin B6 exposure via ingestion exposure to vitamin B6 via ingestion An exposure to cobalamin via ingestion. cobalamin exposure via ingestion exposure to cobalamin via ingestion An exposure to nicotinic acid via ingestion. nicotinic acid exposure via ingestion exposure to niacin (b3) via ingestion An exposure to calcium atom via ingestion. calcium atom exposure via ingestion exposure to calcium via ingestion An exposure to chromium atom via ingestion. chromium atom exposure via ingestion exposure to chromium via ingestion An exposure to iron atom via ingestion. iron atom exposure via ingestion exposure to iron via ingestion An exposure to folic acid via ingestion. folic acid exposure via ingestion exposure to folic acid via ingestion An exposure to potassium atom via ingestion. potassium atom exposure via ingestion exposure to potassium via ingestion An exposure to selenium atom via ingestion. selenium atom exposure via ingestion exposure to selenium via ingestion An exposure to zinc atom via ingestion. zinc atom exposure via ingestion exposure to zinc via ingestion An exposure to magnesium atom via ingestion. magnesium atom exposure via ingestion exposure to magnesium via ingestion An exposure to deoxynivalenol via ingestion. deoxynivalenol exposure via ingestion exposure to deoxynivalenol via ingestion An exposure to chemical entity via ingestion. chemical entity exposure via ingestion exposure to chemical entity via ingestion An exposure to drug via maternal. drug exposure via maternal exposure to drug via maternal An exposure to serotonin uptake inhibitor via maternal. serotonin uptake inhibitor exposure via maternal exposure to serotonin uptake inhibitor via maternal An exposure to lead atom via maternal. lead atom exposure via maternal exposure to lead via maternal A exposure event involving the interaction of an exposure receptor to the condition of environmental condition. environmental condition exposure exposure to environmental condition A exposure event involving the interaction of an exposure receptor to coal power plant. coal power plant exposure exposure to coal power plant A exposure event involving the interaction of an exposure receptor to fossil fuel power plant. fossil fuel power plant exposure exposure to fossil fuel power plant A exposure event involving the interaction of an exposure receptor to mine. mine exposure exposure to mine A exposure event involving the interaction of an exposure receptor to wooden building floor. wooden building floor exposure exposure to wooden building floor A exposure event involving the interaction of an exposure receptor to concrete building floor. concrete building floor exposure exposure to concrete building floor A exposure event involving the interaction of an exposure receptor to radiation shielding disposition. radiation shielding disposition exposure exposure to radiation shielding disposition A exposure event involving the interaction of an exposure receptor to high temperature environment. high temperature environment exposure exposure to high temperature environment A exposure event involving the interaction of an exposure receptor to gas power station. gas power station exposure exposure to gas power station A exposure event involving the interaction of an exposure receptor to power plant. power plant exposure exposure to power plant A exposure event involving the interaction of an exposure receptor to geothermal power plant. geothermal power plant exposure exposure to geothermal power plant A exposure event involving the interaction of an exposure receptor to nuclear power plant. nuclear power plant exposure exposure to nuclear power plant A exposure event involving the interaction of an exposure receptor to solar power station. solar power station exposure exposure to solar power station A exposure event involving the interaction of an exposure receptor to factory. factory exposure exposure to factory A exposure event involving the interaction of an exposure receptor to waste treatment plant. waste treatment plant exposure exposure to waste treatment plant A exposure event involving the interaction of an exposure receptor to wastewater treatment plant. wastewater treatment plant exposure exposure to wastewater treatment plant A exposure event involving the interaction of an exposure receptor to agricultural wastewater treatment plant. agricultural wastewater treatment plant exposure exposure to agricultural wastewater treatment plant A exposure event involving the interaction of an exposure receptor to industrial wastewate treatment plant. industrial wastewate treatment plant exposure exposure to industrial wastewater treatment plant A exposure event involving the interaction of an exposure receptor to extreme high temperature environment. extreme high temperature environment exposure exposure to extreme high temperature environment A exposure event involving the interaction of an exposure receptor to high pressure environment. high pressure environment exposure exposure to high pressure environment A exposure event involving the interaction of an exposure receptor to the condition of weather. weather exposure exposure to weather A exposure event involving the interaction of an exposure receptor to construction. construction exposure exposure to construction A exposure event involving the interaction of an exposure receptor to storm surge. storm surge exposure exposure to storm surge A exposure event involving the interaction of an exposure receptor to icestorm. icestorm exposure exposure to icestorm A exposure event involving the interaction of an exposure receptor to tornado. tornado exposure exposure to tornado A exposure event involving the interaction of an exposure receptor to waterspout. waterspout exposure exposure to waterspout A exposure event involving the interaction of an exposure receptor to flash flood. flash flood exposure exposure to flash flood A exposure event involving the interaction of an exposure receptor to rain. rain exposure exposure to rain A exposure event involving the interaction of an exposure receptor to freezing rainfall. freezing rainfall exposure exposure to freezing rainfall A exposure event involving the interaction of an exposure receptor to thunderstorm. thunderstorm exposure exposure to thunderstorm A exposure event involving the interaction of an exposure receptor to flood. flood exposure exposure to flood A exposure event involving the interaction of an exposure receptor to tropical storm. tropical storm exposure exposure to tropical storm A exposure event involving the interaction of an exposure receptor to the condition of air conditioning unit. air conditioning unit exposure exposure to air conditioning unit A exposure event involving the interaction of an exposure receptor to abattoir. abattoir exposure exposure to abattoir A exposure event involving the interaction of an exposure receptor to farm. farm exposure exposure to farm A exposure event involving the interaction of an exposure receptor to hospital. hospital exposure exposure to hospital A exposure event involving the interaction of an exposure receptor to laboratory facility. laboratory facility exposure exposure to laboratory A exposure event involving the interaction of an exposure receptor to office. office exposure exposure to office A exposure event involving the interaction of an exposure receptor to restaurant. restaurant exposure exposure to restaurant A exposure event involving the interaction of an exposure receptor to shop. shop exposure exposure to retail shop A exposure event involving the interaction of an exposure receptor to day care building. day care building exposure exposure to day care building A exposure event involving the interaction of an exposure receptor to water-based rainfall. water-based rainfall exposure exposure to rainfall A exposure event involving the interaction of an exposure receptor to landspout. landspout exposure exposure to landspout An exposure to medical action. exposure to medical action exposure to medical action An exposure to pulmonary antihypertensive agent therapy. exposure to pulmonary antihypertensive agent therapy exposure to medication for hypertension An exposure to dyslipidemic agent therapy. exposure to dyslipidemic agent therapy exposure to dyslipidemic agent therapy An exposure to blood glucose regulator therapy. exposure to blood glucose regulator therapy exposure to blood glucose regulator therapy An exposure to therapeutic insulin treatment. exposure to therapeutic insulin treatment exposure to theraputic insulin treatment An exposure to sex hormone modifying agent therapy. exposure to sex hormone modifying agent therapy exposure to hormone replacement therapy An exposure to estrogen modifying agent therapy. exposure to estrogen modifying agent therapy exposure to estrogen modification therapy An exposure to platelet aggregation inhibitor therapy. exposure to platelet aggregation inhibitor therapy exposure to platelet aggregation inhibitors An exposure to antiarrythmic agent therapy. exposure to antiarrythmic agent therapy exposure to antiarrythmic agents An exposure to antipsychotic agent therapy. exposure to antipsychotic agent therapy exposure to antipsychotic medication An exposure to calcium channel blocking agent therapy. exposure to calcium channel blocking agent therapy exposure to calcium channel blocker treatment An exposure to NSAID therapy. exposure to NSAID therapy exposure to NSAIDs An exposure to H2-receptor antagonist agent therapy. exposure to H2-receptor antagonist agent therapy exposure to H2 blockers An exposure to diuretic agent therapy. exposure to diuretic agent therapy exposure to theraputic diuretics An exposure to anticholinergic bronchodilator agent therapy. exposure to anticholinergic bronchodilator agent therapy exposure to anticholinergic bronchodilators An exposure to corticosteroid agent therapy. exposure to corticosteroid agent therapy exposure to corticosteroid therapy An exposure to monoamine oxidase inhibitor therapy. exposure to monoamine oxidase inhibitor therapy exposure to MAO inhibitor An exposure to antidepressant agent therapy. exposure to antidepressant agent therapy exposure to antidepressants An exposure to phosphodiesterase inhibitor bronchodilator agent therapy. exposure to phosphodiesterase inhibitor bronchodilator agent therapy exposure to phosphodiesterase inhibitors An exposure to proton pump inhibitor agent therapy. exposure to proton pump inhibitor agent therapy exposure to proton pump inhibitors An exposure to progestin modifying agent therapy. exposure to progestin modifying agent therapy exposure to progestin treatment An exposure to antiparkinson agent therapy. exposure to antiparkinson agent therapy exposure to drugs to treat Parkinsons An exposure to vasodilator agent therapy. exposure to vasodilator agent therapy exposure to vasodilators An exposure to sympathomimetic bronchodilator agent therapy. exposure to sympathomimetic bronchodilator agent therapy exposure to sympathomimetic bronchodilators An exposure to tricyclic antidepressant agent therapy. exposure to tricyclic antidepressant agent therapy exposure to tricyclic antidepressants An exposure to thyroid-modifying hormonal agent therapy. exposure to thyroid-modifying hormonal agent therapy exposure to thyroid-modifying hormonal therapy An exposure to anticoagulant agent therapy. exposure to anticoagulant agent therapy exposure to anticoagulants An exposure to RAAS inhibitor therapy. exposure to RAAS inhibitor therapy exposure to sartans An exposure to alpha adrenergic antagonist therapy. exposure to alpha adrenergic antagonist therapy exposure to alpha-blockers An exposure to cholinesteriase inhibitor therapy. exposure to cholinesteriase inhibitor therapy exposure to cholinesterase inhibitor An exposure to tranquilizing agent therapy. exposure to tranquilizing agent therapy exposure to theraputic tranquilizers An exposure to beta-adrenergic antagonist therapy. exposure to beta-adrenergic antagonist therapy exposure to beta-blockers An exposure to antileukotriene agent therapy. exposure to antileukotriene agent therapy exposure to antileukotriene agents An exposure to glycemic agent therapy. exposure to glycemic agent therapy exposure to glycemic agents An exposure to uricosuric agent therapy. exposure to uricosuric agent therapy exposure to antigout agent An exposure to Diagnostic Imaging. exposure to Diagnostic Imaging exposure to diagnostic imaging An exposure to Ultrasound Tomography. exposure to Ultrasound Tomography exposure to ultrasound tomography An exposure to Positron Emission Tomography. exposure to Positron Emission Tomography exposure to positron emission tomography An exposure to X-Ray Imaging. exposure to X-Ray Imaging exposure to radiography An exposure to Mammography. exposure to Mammography exposure to mammography An exposure to Xeroradiography. exposure to Xeroradiography exposure to xeroradiography An exposure to Myelography. exposure to Myelography exposure to myelography An exposure to Bronchography. exposure to Bronchography exposure to bronchography An exposure to Cystography. exposure to Cystography exposure to cystography An exposure to Vaginography. exposure to Vaginography exposure to vaginography An exposure to Abdominal Radiography. exposure to Abdominal Radiography exposure to abdominal radiography An exposure to Chest Radiography. exposure to Chest Radiography exposure to chest radiography An exposure to Cholangiography. exposure to Cholangiography exposure to cholangiography An exposure to Total Body Radiography. exposure to Total Body Radiography exposure to total body radiography An exposure to Angiography. exposure to Angiography exposure to angiography An exposure to Radioactivity. exposure to Radioactivity exposure to radioactivity An exposure to Human Papillomavirus Infection. exposure to Human Papillomavirus Infection exposure to Human Papillomavirus Infection An exposure to surgical procedure. exposure to surgical procedure exposure to surgery An exposure to kidney transplantation. exposure to kidney transplantation exposure to kidney implantation An exposure to transplantation procedure. exposure to transplantation procedure exposure to transplant surgery An exposure to pharmacotherapy. exposure to pharmacotherapy exposure to pharmacotherapy An exposure to blood transfusion. exposure to blood transfusion exposure to blood transfusion An exposure to anesthetic agent therapy. exposure to anesthetic agent therapy exposure to anesthetics An exposure to neck radiograph procedure. exposure to neck radiograph procedure exposure to neck radiograph procedure A history of exposure to root. root exposure exposure to organism A history of exposure to Viruses. Viruses exposure exposure to virus A history of exposure to Enterovirus. Enterovirus exposure exposure to Enterovirus A history of exposure to Helicobacter pylori. Helicobacter pylori exposure exposure to Helicobacter pylori A history of exposure to Papillomaviridae. Papillomaviridae exposure exposure to Papillomaviridae A history of exposure to Homo sapiens. Homo sapiens exposure exposure to humans A history of exposure to Toxoplasma gondii. Toxoplasma gondii exposure exposure to Toxoplasma gondii A history of exposure to Listeria. Listeria exposure exposure to Listeria A history of exposure to Salmonella. Salmonella exposure exposure to Salmonella A history of exposure to Escherichia coli. Escherichia coli exposure exposure to Escherichia coli A history of exposure to http://purl.obolibrary.org/obo/OPMI_0000417. http://purl.obolibrary.org/obo/OPMI_0000417 exposure exposure to human patient A exposure event involving the interaction of an exposure receptor to deviation (from_normal) of quality. exposure to deviation (from_normal) in quality exposure to change A exposure event involving the interaction of an exposure receptor to increased temperature. increased temperature exposure exposure to increased temperature A exposure event involving the interaction of an exposure receptor to increased amount of salt. exposure to increased amount in salt exposure to increased salt A exposure event involving the interaction of an exposure receptor to decreased amount of salt. exposure to decreased amount in salt exposure to decreased salt A exposure event involving the interaction of an exposure receptor to increased amount of methane. exposure to increased amount in methane exposure to increased methane A exposure event involving the interaction of an exposure receptor to decreased amount of methane. exposure to decreased amount in methane exposure to decreased methane A exposure event involving the interaction of an exposure receptor to increased amount of glucose. exposure to increased amount in glucose exposure to increased glucose A exposure event involving the interaction of an exposure receptor to increased amount of fructose. exposure to increased amount in fructose exposure to increased fructose A exposure event involving the interaction of an exposure receptor to increased amount of sucrose. exposure to increased amount in sucrose exposure to increased sucrose A exposure event involving the interaction of an exposure receptor to increased amount of protein. exposure to increased amount in protein exposure to increased protein A exposure event involving the interaction of an exposure receptor to increased amount of monosaccharide. exposure to increased amount in monosaccharide exposure to increased monosaccharide A exposure event involving the interaction of an exposure receptor to increased amount of cholesterol. exposure to increased amount in cholesterol exposure to increased cholesterol A exposure event involving the interaction of an exposure receptor to increased amount of triglyceride. exposure to increased amount in triglyceride exposure to increased triglyceride A exposure event involving the interaction of an exposure receptor to increased amount of low-density lipoprotein. exposure to increased amount in low-density lipoprotein exposure to increased low-density lipoprotein A exposure event involving the interaction of an exposure receptor to increased amount of high-density lipoprotein. exposure to increased amount in high-density lipoprotein exposure to increased high-density lipoprotein A exposure event involving the interaction of an exposure receptor to decreased amount of glucose. exposure to decreased amount in glucose exposure to decreased glucose A exposure event involving the interaction of an exposure receptor to decreased amount of fructose. exposure to decreased amount in fructose exposure to decreased fructose A exposure event involving the interaction of an exposure receptor to decreased amount of sucrose. exposure to decreased amount in sucrose exposure to decreased sucrose A exposure event involving the interaction of an exposure receptor to decreased amount of protein. exposure to decreased amount in protein exposure to decreased protein A exposure event involving the interaction of an exposure receptor to decreased amount of monosaccharide. exposure to decreased amount in monosaccharide exposure to decreased monosaccharide A exposure event involving the interaction of an exposure receptor to decreased amount of cholesterol. exposure to decreased amount in cholesterol exposure to decreased cholesterol A exposure event involving the interaction of an exposure receptor to decreased amount of triglyceride. exposure to decreased amount in triglyceride exposure to decreased triglyceride A exposure event involving the interaction of an exposure receptor to decreased amount of low-density lipoprotein. exposure to decreased amount in low-density lipoprotein exposure to decreased low-density lipoprotein A exposure event involving the interaction of an exposure receptor to decreased amount of high-density lipoprotein. exposure to decreased amount in high-density lipoprotein exposure to decreased high-density lipoprotein A exposure event involving the interaction of an exposure receptor to increased amount of pressure of air. exposure to increased amount in pressure of air exposure to increased air pressure A exposure event involving the interaction of an exposure receptor to increased pressure. increased pressure exposure exposure to increased pressure A exposure event involving the interaction of an exposure receptor to decreased pressure. decreased pressure exposure exposure to decreased pressure A exposure event involving the interaction of an exposure receptor to frozen of liquid water. exposure to frozen in liquid water exposure to freezing water A exposure event involving the interaction of an exposure receptor to frozen of air. exposure to frozen in air exposure to freezing air A exposure event involving the interaction of an exposure receptor to increased amount of temperature of soil. exposure to increased amount in temperature of soil exposure to increased soil temperature A exposure event involving the interaction of an exposure receptor to decreased amount of temperature of soil. exposure to decreased amount in temperature of soil exposure to decreased soil temperature A exposure event involving the interaction of an exposure receptor to increased amount of temperature of water. exposure to increased amount in temperature of water exposure to increased water temperature A exposure event involving the interaction of an exposure receptor to decreased amount of temperature of water. exposure to decreased amount in temperature of water exposure to decreased water temperature A exposure event involving the interaction of an exposure receptor to decreased amount of pressure of water. exposure to decreased amount in pressure of water exposure to decreased water pressure A exposure event involving the interaction of an exposure receptor to increased amount of temperature of air. exposure to increased amount in temperature of air exposure to increased air temperature A exposure event involving the interaction of an exposure receptor to increased amount of pressure of water. exposure to increased amount in pressure of water exposure to increased water pressure A exposure event involving the interaction of an exposure receptor to decreased amount of pressure of air. exposure to decreased amount in pressure of air exposure to decreased air pressure A exposure event involving the interaction of an exposure receptor to geographic feature. geographic feature exposure exposure to geographic feature A exposure event involving the interaction of an exposure receptor to sidewalk. sidewalk exposure exposure to sidewalks A exposure event involving the interaction of an exposure receptor to public swimming pool. public swimming pool exposure exposure to public swimming pool A exposure event involving the interaction of an exposure receptor to mine drainage. mine drainage exposure exposure to mine drainage A exposure event involving the interaction of an exposure receptor to acid mine drainage. acid mine drainage exposure exposure to acid mine drainage A exposure event involving the interaction of an exposure receptor to gold mine drainage. gold mine drainage exposure exposure to gold mine drainage A exposure event involving the interaction of an exposure receptor to gold mine. gold mine exposure exposure to gold mine A exposure event involving the interaction of an exposure receptor to coal mine. coal mine exposure exposure to coal mine A exposure event involving the interaction of an exposure receptor to petting zoo. petting zoo exposure exposure to petting zoo A exposure event involving the interaction of an exposure receptor to campground. campground exposure exposure to campground An exposure event involving Activity Activity exposure exposure to behavior An exposure event involving Violence Violence exposure exposure to violence An exposure event involving Exercise Exercise exposure exposure to exercise An exposure event involving Walking Walking exposure exposure to walking An exposure event involving Sedentary Lifestyle Sedentary Lifestyle exposure exposure to sedentary lifestyle An exposure event involving Coping Skills Coping Skills exposure exposure to coping skills An exposure event involving Sex Behavior Sex Behavior exposure exposure to sex behavior An exposure event involving Substance Abuse Substance Abuse exposure exposure to substance abuse An exposure event involving Drug Abuse Drug Abuse exposure exposure to drug abuse An exposure event involving Alcohol Abuse Alcohol Abuse exposure exposure to alcohol abuse An exposure event involving Social Networking Social Networking exposure exposure to social networking An exposure event involving Risk Reduction Risk Reduction exposure exposure to risk reduction An exposure event involving Flame-Broiling Flame-Broiling exposure exposure to flame-broiling An exposure event involving Smoking Smoking exposure exposure to smoking An exposure event involving Smoking Cessation Smoking Cessation exposure exposure to smoking cessation An exposure event involving Lifestyle Lifestyle exposure exposure to lifestyle An exposure event involving Personal Behavior Personal Behavior exposure exposure to personal behavior obsolete exposure to dietary practices true obsolete exposure to red meat consumption true obsolete exposure to high vegetable diet true obsolete exposure to feeding regimen true An exposure event involving Dietary Practices Dietary Practices exposure exposure to eating behavior An exposure event involving drinking behavior drinking behavior exposure exposure to drinking behavior An exposure event involving Food Preparation Food Preparation exposure exposure to food processing behavior An exposure event involving Clinical or Research Activity Clinical or Research Activity exposure exposure to clinical or research activity An exposure event involving Unemployed Unemployed exposure exposure to unemployment An exposure event involving Poverty Poverty exposure exposure to poverty An exposure event involving Social Circumstances Social Circumstances exposure exposure to social circumstances An exposure event involving Socioeconomic Factors Socioeconomic Factors exposure exposure to socioeconomic factors An exposure event involving Tobacco Smoking Tobacco Smoking exposure exposure to tobacco smoking An exposure event involving hunting behavior hunting behavior exposure exposure to hunting An exposure event involving Strenuous Exercise Strenuous Exercise exposure exposure to strenuous exercise An exposure event involving Weight Bearing Weight Bearing exposure exposure to weight bearing An exposure event involving Travel Travel exposure exposure to travel A exposure event involving the interaction of an exposure receptor to dust. dust exposure exposure to dust A exposure event involving the interaction of an exposure receptor to fume. fume exposure exposure to fumes A exposure event involving the interaction of an exposure receptor to smog. smog exposure exposure to smog A exposure event involving the interaction of an exposure receptor to coal. coal exposure exposure to coal A exposure event involving the interaction of an exposure receptor to coal dust. coal dust exposure exposure to coal dust A exposure event involving the interaction of an exposure receptor to coal mine waste material. coal mine waste material exposure exposure to coal mine waste material A exposure event involving the interaction of an exposure receptor to self-heating coal mine waste material. self-heating coal mine waste material exposure exposure to self-heating coal mine waste material A exposure event involving the interaction of an exposure receptor to clay. clay exposure exposure to clay A exposure event involving the interaction of an exposure receptor to clay dust. clay dust exposure exposure to clay dust A exposure event involving the interaction of an exposure receptor to brick. brick exposure exposure to brick A exposure event involving the interaction of an exposure receptor to brick material. brick material exposure exposure to brick material A exposure event involving the interaction of an exposure receptor to soil. soil exposure exposure to soil A exposure event involving the interaction of an exposure receptor to asphalt. asphalt exposure exposure to asphalt A exposure event involving the interaction of an exposure receptor to refined asphalt. refined asphalt exposure exposure to refined asphalt A exposure event involving the interaction of an exposure receptor to asphalt concrete. asphalt concrete exposure exposure to asphalt concrete A exposure event involving the interaction of an exposure receptor to glass. glass exposure exposure to glass A exposure event involving the interaction of an exposure receptor to fibrous glass dust. fibrous glass dust exposure exposure to fibrous glass dust A exposure event involving the interaction of an exposure receptor to rock. rock exposure exposure to rock A exposure event involving the interaction of an exposure receptor to ore. ore exposure exposure to ore A exposure event involving the interaction of an exposure receptor to sand. sand exposure exposure to sand A exposure event involving the interaction of an exposure receptor to metallic dust. metallic dust exposure exposure to metallic dust A exposure event involving the interaction of an exposure receptor to fibrous dust. fibrous dust exposure exposure to fibrous dust A exposure event involving the interaction of an exposure receptor to mineral dust. mineral dust exposure exposure to mineral dust A exposure event involving the interaction of an exposure receptor to grain dust. grain dust exposure exposure to grain dust A exposure event involving the interaction of an exposure receptor to asbestos dust. asbestos dust exposure exposure to asbestos dust A exposure event involving the interaction of an exposure receptor to cement dust. cement dust exposure exposure to cement dust A exposure event involving the interaction of an exposure receptor to slate dust. slate dust exposure exposure to slate dust A exposure event involving the interaction of an exposure receptor to talc dust. talc dust exposure exposure to talc dust A exposure event involving the interaction of an exposure receptor to kaolin dust. kaolin dust exposure exposure to kaolin dust A exposure event involving the interaction of an exposure receptor to silica dust. silica dust exposure exposure to silica dust A exposure event involving the interaction of an exposure receptor to barium dust. barium dust exposure exposure to barium dust A exposure event involving the interaction of an exposure receptor to aluminium dust. aluminium dust exposure exposure to aluminum dust A exposure event involving the interaction of an exposure receptor to dust from plant parts. dust from plant parts exposure exposure to dust from plant parts A exposure event involving the interaction of an exposure receptor to wood. wood exposure exposure to wood A exposure event involving the interaction of an exposure receptor to treated wood. treated wood exposure exposure to treated wood A exposure event involving the interaction of an exposure receptor to charcoal. charcoal exposure exposure to charcoal A exposure event involving the interaction of an exposure receptor to concrete. concrete exposure exposure to concrete A exposure event involving the interaction of an exposure receptor to plaster. plaster exposure exposure to plaster A exposure event involving the interaction of an exposure receptor to cement plaster. cement plaster exposure exposure to cement plaster A exposure event involving the interaction of an exposure receptor to lime plaster. lime plaster exposure exposure to lime plaster A exposure event involving the interaction of an exposure receptor to particle radiation. particle radiation exposure exposure to particle radiation A exposure event involving the interaction of an exposure receptor to stellar radiation. stellar radiation exposure exposure to stellar radiation A exposure event involving the interaction of an exposure receptor to ionizing radiation. ionizing radiation exposure exposure to ionizing radiation A exposure event involving the interaction of an exposure receptor to particle beam radiation. particle beam radiation exposure exposure to particle beam radiation obsolete exposure to X-ray radiation true A exposure event involving the interaction of an exposure receptor to liquefied natural gas. liquefied natural gas exposure exposure to liquefied natural gas A exposure event involving the interaction of an exposure receptor to natural gas. natural gas exposure exposure to natural gas A exposure event involving the interaction of an exposure receptor to liquefied petroleum gas. liquefied petroleum gas exposure exposure to liquefied petroleum gas A exposure event involving the interaction of an exposure receptor to gaseous environmental material. gaseous environmental material exposure exposure to gaseous environmental material A exposure event involving the interaction of an exposure receptor to smoke. smoke exposure exposure to smoke A exposure event involving the interaction of an exposure receptor to haze. haze exposure exposure to haze A exposure event involving the interaction of an exposure receptor to microplastic particle. microplastic particle exposure exposure to microplastic particle A exposure event involving the interaction of an exposure receptor to secondary microplastic particle. secondary microplastic particle exposure exposure to secondary microplastic particle A exposure event involving the interaction of an exposure receptor to liquid water. liquid water exposure exposure to water in environment A exposure event involving the interaction of an exposure receptor to air. air exposure exposure to air A exposure event involving the interaction of an exposure receptor to oil. oil exposure exposure to oil A exposure event involving the interaction of an exposure receptor to particulate environmental material. particulate environmental material exposure exposure to particulate matter A exposure event involving the interaction of an exposure receptor to organic material. organic material exposure exposure to organic material A exposure event involving the interaction of an exposure receptor to snow. snow exposure exposure to snow A exposure event involving the interaction of an exposure receptor to atmospheric carbon dioxide. atmospheric carbon dioxide exposure exposure to atmospheric carbon dioxide A exposure event involving the interaction of an exposure receptor to volcanic ash. volcanic ash exposure exposure to volcanic ash A exposure event involving the interaction of an exposure receptor to mineral material. mineral material exposure exposure to mineral material A exposure event involving the interaction of an exposure receptor to mine tailing. mine tailing exposure exposure to mine tailing A exposure event involving the interaction of an exposure receptor to permafrost. permafrost exposure exposure to permafrost A exposure event involving the interaction of an exposure receptor to waste water. waste water exposure exposure to waste water A exposure event involving the interaction of an exposure receptor to fecal material. fecal material exposure exposure to feces A exposure event involving the interaction of an exposure receptor to sewage. sewage exposure exposure to sewage A exposure event involving the interaction of an exposure receptor to raw primary sludge. raw primary sludge exposure exposure to raw primary sludge A exposure event involving the interaction of an exposure receptor to secondary sludge. secondary sludge exposure exposure to secondary sludge A exposure event involving the interaction of an exposure receptor to biosolids. biosolids exposure exposure to biosolids A exposure event involving the interaction of an exposure receptor to oil sludge. oil sludge exposure exposure to oil sludge A exposure event involving the interaction of an exposure receptor to chemically enriched sediment. chemically enriched sediment exposure exposure to contaminated sediment A exposure event involving the interaction of an exposure receptor to petroleum enriched sediment. petroleum enriched sediment exposure exposure to petroleum contaminated sediment A exposure event involving the interaction of an exposure receptor to contaminated soil. contaminated soil exposure exposure to contaminated soil A exposure event involving the interaction of an exposure receptor to creosote contaminated soil. creosote contaminated soil exposure exposure to creosote contaminated soil A exposure event involving the interaction of an exposure receptor to arsenic-rich mud. arsenic-rich mud exposure exposure to arsenic-rich mud A exposure event involving the interaction of an exposure receptor to borax leachate. borax leachate exposure exposure to borax leachate A exposure event involving the interaction of an exposure receptor to chromate contaminated soil. chromate contaminated soil exposure exposure to chromate contaminated soil A exposure event involving the interaction of an exposure receptor to xylene contaminated soil. xylene contaminated soil exposure exposure to xylene contaminated soil A exposure event involving the interaction of an exposure receptor to agricultural soil. agricultural soil exposure exposure to agricultural soil A exposure event involving the interaction of an exposure receptor to waste material. waste material exposure exposure to waste material A exposure event involving the interaction of an exposure receptor to chicken breeding waste material. chicken breeding waste material exposure exposure to chicken breeding waste material A exposure event involving the interaction of an exposure receptor to industrial waste material. industrial waste material exposure exposure to industrial waste material A exposure event involving the interaction of an exposure receptor to fluvisol. fluvisol exposure exposure to fluvisol A exposure event involving the interaction of an exposure receptor to stagnosol. stagnosol exposure exposure to stagnosol A exposure event involving the interaction of an exposure receptor to technosol. technosol exposure exposure to technosol A exposure event involving the interaction of an exposure receptor to animal waste material. animal waste material exposure exposure to animal waste material A exposure event involving the interaction of an exposure receptor to hay. hay exposure exposure to hay A exposure event involving the interaction of an exposure receptor to adobe. adobe exposure exposure to adobe A exposure event involving the interaction of an exposure receptor to bagasse. bagasse exposure exposure to bagasse A exposure event involving the interaction of an exposure receptor to organic waste material. organic waste material exposure exposure to organic waste material A exposure event involving the interaction of an exposure receptor to oil contaminated soil. oil contaminated soil exposure exposure to oil contaminated soil A exposure event involving the interaction of an exposure receptor to fuel oil. fuel oil exposure exposure to fuel oil A exposure event involving the interaction of an exposure receptor to petroleum. petroleum exposure exposure to petroleum A exposure event involving the interaction of an exposure receptor to silage. silage exposure exposure to silage A exposure event involving the interaction of an exposure receptor to animal manure. animal manure exposure exposure to animal manure A exposure event involving the interaction of an exposure receptor to fresh animal manure. fresh animal manure exposure exposure to fresh animal manure A exposure event involving the interaction of an exposure receptor to bodily fluid material. bodily fluid material exposure exposure to bodily fluid A exposure event involving the interaction of an exposure receptor to blood material. blood material exposure exposure to blood A exposure event involving the interaction of an exposure receptor to amniotic fluid material. amniotic fluid material exposure exposure to amniotic fluid A exposure event involving the interaction of an exposure receptor to excreta material. excreta material exposure exposure to excreta A exposure event involving the interaction of an exposure receptor to bile material. bile material exposure exposure to bile A exposure event involving the interaction of an exposure receptor to aerosol. aerosol exposure exposure to aerosol A exposure event involving the interaction of an exposure receptor to waterborne particulate matter. waterborne particulate matter exposure exposure to waterborne particulate matter A exposure event involving the interaction of an exposure receptor to respirable suspended particulate matter. respirable suspended particulate matter exposure exposure to respirable suspended particulate matter A exposure event involving the interaction of an exposure receptor to fine respirable suspended particulate matter. fine respirable suspended particulate matter exposure exposure to fine respirable suspended particulate matter A exposure event involving the interaction of an exposure receptor to ultrafine respirable suspended particulate matter. ultrafine respirable suspended particulate matter exposure exposure to ultrafine respirable suspended particulate matter A exposure event involving the interaction of an exposure receptor to contaminated water. contaminated water exposure exposure to contaminated water A exposure event involving the interaction of an exposure receptor to pulp-bleaching waste water. pulp-bleaching waste water exposure exposure to pulp-bleaching waste water A exposure event involving the interaction of an exposure receptor to sea water. sea water exposure exposure to sea water A exposure event involving the interaction of an exposure receptor to river water. river water exposure exposure to river water A exposure event involving the interaction of an exposure receptor to distilled water. distilled water exposure exposure to distilled water A exposure event involving the interaction of an exposure receptor to drinking water. drinking water exposure exposure to drinking water A exposure event involving the interaction of an exposure receptor to tap water. tap water exposure exposure to tap water A exposure event involving the interaction of an exposure receptor to groundwater. groundwater exposure exposure to groundwater A exposure event involving the interaction of an exposure receptor to pond water. pond water exposure exposure to pond water A exposure event involving the interaction of an exposure receptor to welding fume. welding fume exposure exposure to welding fume A exposure event involving the interaction of an exposure receptor to glue. glue exposure exposure to glue A exposure event involving the interaction of an exposure receptor to resin. resin exposure exposure to resin A exposure event involving the interaction of an exposure receptor to shellac. shellac exposure exposure to shellac A exposure event involving the interaction of an exposure receptor to tragacanth. tragacanth exposure exposure to tragacanth A exposure event involving the interaction of an exposure receptor to xanthan gum. xanthan gum exposure exposure to xanthan gum A exposure event involving the interaction of an exposure receptor to wood dust. wood dust exposure exposure to wood dust A exposure event involving the interaction of an exposure receptor to diesel fuel. diesel fuel exposure exposure to diesel fuel A exposure event involving the interaction of an exposure receptor to gasoline. gasoline exposure exposure to gasoline A exposure event involving the interaction of an exposure receptor to diesel exhaust. diesel exhaust exposure exposure to diesel exhaust A exposure event involving the interaction of an exposure receptor to gasoline exhaust. gasoline exhaust exposure exposure to gasoline exhaust A exposure event involving the interaction of an exposure receptor to primer (paint). primer (paint) exposure exposure to primer (paint) A exposure event involving the interaction of an exposure receptor to oil-based paint. oil-based paint exposure exposure to oil-based paint A exposure event involving the interaction of an exposure receptor to acrylic paint. acrylic paint exposure exposure to acrylic paint A exposure event involving the interaction of an exposure receptor to luminescent paint. luminescent paint exposure exposure to luminescent paint A exposure event involving the interaction of an exposure receptor to rock dust. rock dust exposure exposure to rock dust A exposure event involving the interaction of an exposure receptor to radioactive material. radioactive material exposure exposure to radioactive material A exposure event involving the interaction of an exposure receptor to volume of cyanoacrylate. volume of cyanoacrylate exposure exposure to cyanoacrylate A exposure event involving the interaction of an exposure receptor to obsolete plastic production compound. obsolete plastic production compound exposure exposure to plastic production compound A exposure event involving the interaction of an exposure receptor to cotton dust. cotton dust exposure exposure to cotton dust A exposure event involving the interaction of an exposure receptor to rubber cement. rubber cement exposure exposure to rubber cement A exposure event involving the interaction of an exposure receptor to methyl cellulose paste. methyl cellulose paste exposure exposure to methyl cellulose paste A exposure event involving the interaction of an exposure receptor to permanent hair dye. permanent hair dye exposure exposure to permanent hair dye A exposure event involving the interaction of an exposure receptor to pharmaceutical ink. pharmaceutical ink exposure exposure to pharmaceutical ink A exposure event involving the interaction of an exposure receptor to gel ink. gel ink exposure exposure to gel ink A exposure event involving the interaction of an exposure receptor to soy ink. soy ink exposure exposure to soy ink A exposure event involving the interaction of an exposure receptor to aqueous inkjet printer ink. aqueous inkjet printer ink exposure exposure to aqueous inkjet printer ink A exposure event involving the interaction of an exposure receptor to emissions from petroleum combustion. emissions from petroleum combustion exposure exposure to emissions from petroleum combustion A exposure event involving the interaction of an exposure receptor to colorant fluid. colorant fluid exposure exposure to colorant fluid A exposure event involving the interaction of an exposure receptor to chemical colorant. chemical colorant exposure exposure to chemical colorant A exposure event involving the interaction of an exposure receptor to environmental system process. environmental system process exposure exposure to environmental process A exposure event involving the interaction of an exposure receptor to methane gas emission process. methane gas emission process exposure exposure to methane gas emission process A exposure event involving the interaction of an exposure receptor to atmospheric aerosolisation of dust. atmospheric aerosolisation of dust exposure exposure to atmospheric aerosolisation of dust A exposure event involving the interaction of an exposure receptor to aerosolisation of dust. aerosolisation of dust exposure exposure to aerosolisation of dust A exposure event involving the interaction of an exposure receptor to lumber production process. lumber production process exposure exposure to lumber production process A exposure event involving the interaction of an exposure receptor to greenhouse effect. greenhouse effect exposure exposure to greenhouse effect A exposure event involving the interaction of an exposure receptor to combustion process. combustion process exposure exposure to combusion process A exposure event involving the interaction of an exposure receptor to plastic pollution. plastic pollution exposure exposure to plastic pollution A exposure event involving the interaction of an exposure receptor to climate change. climate change exposure exposure to climate change A exposure event involving the interaction of an exposure receptor to acidification of an aquatic environment. acidification of an aquatic environment exposure exposure to acidification of an aquatic environment A exposure event involving the interaction of an exposure receptor to volcanic eruption. volcanic eruption exposure exposure to volcanic eruption A exposure event involving the interaction of an exposure receptor to earthquake. earthquake exposure exposure to earthquake A exposure event involving the interaction of an exposure receptor to tsunami. tsunami exposure exposure to tsunami A exposure event involving the interaction of an exposure receptor to soil degradation. soil degradation exposure exposure to soil degradation A exposure event involving the interaction of an exposure receptor to material extraction process. material extraction process exposure exposure to material extraction process A exposure event involving the interaction of an exposure receptor to desertification. desertification exposure exposure to desertification A exposure event involving the interaction of an exposure receptor to flooding. flooding exposure exposure to flooding A exposure event involving the interaction of an exposure receptor to atmospheric process. atmospheric process exposure exposure to atmospheric process A exposure event involving the interaction of an exposure receptor to deforestation. deforestation exposure exposure to deforestation A exposure event involving the interaction of an exposure receptor to environmental pollution. environmental pollution exposure exposure to environmental pollution A exposure event involving the interaction of an exposure receptor to ocean acidification. ocean acidification exposure exposure to ocean acidification A exposure event involving the interaction of an exposure receptor to tectonic earthquake. tectonic earthquake exposure exposure to tectonic earthquake A exposure event involving the interaction of an exposure receptor to landslide process. landslide process exposure exposure to landslide process A exposure event involving the interaction of an exposure receptor to mudslide. mudslide exposure exposure to mudslide A exposure event involving the interaction of an exposure receptor to coastal flooding. coastal flooding exposure exposure to coastal flooding A exposure event involving the interaction of an exposure receptor to riverine flooding. riverine flooding exposure exposure to riverine flooding A exposure event involving the interaction of an exposure receptor to flash flooding. flash flooding exposure exposure to flash flooding A exposure event involving the interaction of an exposure receptor to meteotsunami. meteotsunami exposure exposure to metotsunami A exposure event involving the interaction of an exposure receptor to storm surge process. storm surge process exposure exposure to storm surge process A exposure event involving the interaction of an exposure receptor to areal flooding. areal flooding exposure exposure to areal flooding A exposure event involving the interaction of an exposure receptor to urban flooding. urban flooding exposure exposure to urban flooding A exposure event involving the interaction of an exposure receptor to carbon dioxide emission process. carbon dioxide emission process exposure exposure to carbon dioxide emission process obsolete exposure to greenhouse effect true A exposure event involving the interaction of an exposure receptor to accumulation of toxins from algal bloom process. accumulation of toxins from algal bloom process exposure exposure to accumulation of toxins from algal bloom process A exposure event involving the interaction of an exposure receptor to degradation of toxins from algal bloom process. degradation of toxins from algal bloom process exposure exposure to degradation of toxins from algal bloom process A exposure event involving the interaction of an exposure receptor to anthropogenic modulatory intervention process. anthropogenic modulatory intervention process exposure exposure to anthropogenic modulatory intervention process A exposure event involving the interaction of an exposure receptor to air pollution. air pollution exposure exposure to air pollution A exposure event involving the interaction of an exposure receptor to soil pollution. soil pollution exposure exposure to soil pollution A exposure event involving the interaction of an exposure receptor to water pollution. water pollution exposure exposure to water pollution obsolete exposure to plastic pollution true A exposure event involving the interaction of an exposure receptor to urban pollution. urban pollution exposure exposure to urban pollution A exposure event involving the interaction of an exposure receptor to drought. drought exposure exposure to drought A exposure event involving the interaction of an exposure receptor to acoustic radiation. acoustic radiation exposure exposure to sound radiation A exposure event involving the interaction of an exposure receptor to gamma-ray radiation. gamma-ray radiation exposure exposure to gamma radiation A exposure event involving the interaction of an exposure receptor to X-ray radiation. X-ray radiation exposure exposure to x-ray radiation A exposure event involving the interaction of an exposure receptor to infrared radiation. infrared radiation exposure exposure to infrared radiation A exposure event involving the interaction of an exposure receptor to far-infrared radiation. far-infrared radiation exposure exposure to far-infrared radiation A exposure event involving the interaction of an exposure receptor to mid-infrared radiation. mid-infrared radiation exposure exposure to mid-infrared radiation A exposure event involving the interaction of an exposure receptor to near-infrared radiation. near-infrared radiation exposure exposure to near-infrared radiation A exposure event involving the interaction of an exposure receptor to microwave radiation. microwave radiation exposure exposure to microwave radiation A exposure event involving the interaction of an exposure receptor to radio wave radiation. radio wave radiation exposure exposure to radiowave radiation A exposure event involving the interaction of an exposure receptor to ultrasound radiation. ultrasound radiation exposure exposure to ultrasound radiation A exposure event involving the interaction of an exposure receptor to infrasound. infrasound exposure exposure to infrasound A exposure event involving the interaction of an exposure receptor to fire. fire exposure exposure to fire A exposure event involving the interaction of an exposure receptor to cyclone. cyclone exposure exposure to cyclone A exposure event involving the interaction of an exposure receptor to acidic water-based rain. acidic water-based rain exposure exposure to acidic water-based rain A exposure event involving the interaction of an exposure receptor to vibration process. vibration process exposure exposure to vibration An exposure to amlodipine. exposure to amlodipine exposure to amlodipine An exposure to biguanide. exposure to biguanide exposure to biguanide An exposure to digitalin. exposure to digitalin exposure to digitalin An exposure to nitroglycerin. exposure to nitroglycerin exposure to nitroglycerin An exposure to estrone sodium sulfate. exposure to estrone sodium sulfate exposure to premarin An exposure to probucol. exposure to probucol exposure to probucol An exposure to acetylsalicylic acid. exposure to acetylsalicylic acid exposure to aspirin An exposure to diltiazem. exposure to diltiazem exposure to diltiazem An exposure to estrogen. exposure to estrogen exposure to estrogens An exposure to heparin. exposure to heparin exposure to heparin An exposure to nifedipine. exposure to nifedipine exposure to nifedipine An exposure to thiazolidinediones. exposure to thiazolidinediones exposure to thiazolidinediones An exposure to verapamil. exposure to verapamil exposure to verapamil An exposure to hydrogen chloride. exposure to hydrogen chloride exposure to hydrogen chloride An exposure to sulfuric acid. exposure to sulfuric acid exposure to sulfuric acid An exposure to phosphoric acid. exposure to phosphoric acid exposure to phosphoric acid An exposure to acetic acid. exposure to acetic acid exposure to acetic acid An exposure to nitric acid. exposure to nitric acid exposure to nitric acid An exposure to alkali metal salt. exposure to alkali metal salt exposure to alkali metal salt An exposure to sodium hydroxide. exposure to sodium hydroxide exposure to sodium hydroxide An exposure to magnesium hydroxide. exposure to magnesium hydroxide exposure to magnesium hydroxide An exposure to calcium hydroxide. exposure to calcium hydroxide exposure to calcium hydroxide An exposure to potassium hydroxide. exposure to potassium hydroxide exposure to potassium hydroxide An exposure to alcohol. exposure to alcohol exposure to alcohol An exposure to ethanol. exposure to ethanol exposure to ethanol An exposure to methanol. exposure to methanol exposure to methanol An exposure to aluminium molecular entity. exposure to aluminium molecular entity exposure to aluminum An exposure to aluminium oxides. exposure to aluminium oxides exposure to aluminum oxides An exposure to ammonia. exposure to ammonia exposure to ammonia An exposure to arsenic molecular entity. exposure to arsenic molecular entity exposure to arsenic An exposure to asbestos. exposure to asbestos exposure to asbestos An exposure to benzene. exposure to benzene exposure to benzene An exposure to xylene. exposure to xylene exposure to xylene An exposure to toluene. exposure to toluene exposure to toluene An exposure to chromium molecular entity. exposure to chromium molecular entity exposure to chromium An exposure to chromate(2-). exposure to chromate(2-) exposure to chromate(2-) An exposure to 1,2-dichloroethane. exposure to 1,2-dichloroethane exposure to 1,2-dichloroethane An exposure to chloroform. exposure to chloroform exposure to chloroform An exposure to chloroprene. exposure to chloroprene exposure to chloroprene An exposure to ketone. exposure to ketone exposure to ketone An exposure to dichloromethane. exposure to dichloromethane exposure to dichloromethane An exposure to tetrachloromethane. exposure to carbon tetrachloride exposure to tetrachloromethane exposure to tetrachloromethane An exposure to carbon dioxide. exposure to carbon dioxide exposure to carbon dioxide An exposure to dinitrogen oxide. exposure to dinitrogen oxide exposure to nitrous oxide exposure to dinitrogen oxide An exposure to ozone. exposure to ozone exposure to ozone An exposure to Talc. exposure to Talc exposure to talc An exposure to biphenyls. exposure to biphenyls exposure to biphenyls An exposure to bisphenol A. exposure to bisphenol A exposure to bisphenol A An exposure to dichlorobenzene. exposure to dichlorobenzene exposure to dichlorobenzene An exposure to ethylbenzene. exposure to ethylbenzene exposure to ethylbenzene An exposure to 1,2-dibromoethane. exposure to 1,2-dibromoethane exposure to ethyl dibromide exposure to 1,2-dibromoethane An exposure to Coal-tar pitch. exposure to Coal-tar pitch exposure to coal-tar pitch An exposure to nickel molecular entity. exposure to nickel molecular entity exposure to nickel An exposure to chloroethane. exposure to chloroethane exposure to chloroethane An exposure to 2-methoxyethanol. exposure to 2-methoxyethanol exposure to 2-methoxyethanol An exposure to 2-ethoxyethanol. exposure to 2-ethoxyethanol exposure to 2-ethoxyethanol An exposure to 2-butoxyethanol. exposure to 2-butoxyethanol exposure to 2-butoxyethanol An exposure to polychlorobiphenyl. exposure to polychlorinated biphenyl exposure to polychlorobiphenyl exposure to polychlorobiphenyl An exposure to styrene. exposure to styrene exposure to styrene An exposure to phosgene. exposure to phosgene exposure to phosgene An exposure to phenol. exposure to phenol exposure to phenol An exposure to silicon dioxide. exposure to silicon dioxide exposure to silicon dioxide An exposure to tetrachloroethene. exposure to perchloroethylene exposure to tetrachloroethene exposure to tetrachloroethene obsolete trichloroethene exposure true An exposure to sodium hypochlorite. exposure to chlorine bleach exposure to sodium hypochlorite exposure to sodium hypochlorite An exposure to chlorine molecular entity. exposure to chlorine molecular entity exposure to chlorine An exposure to triclosan. exposure to triclosan exposure to triclosan An exposure to poly(vinyl acetate). exposure to poly(vinyl acetate) exposure to white glue exposure to wood glue exposure to polyvinyl acetate An exposure to urethane. exposure to urethane exposure to urethane An exposure to polyurethane polymer. exposure to polyurethane polymer exposure to polyurethane polymer An exposure to butanone. exposure to butanone exposure to butanone An exposure to iodine molecular entity. exposure to iodine molecular entity exposure to iodine An exposure to acetone. exposure to acetone exposure to acetone An exposure to iron molecular entity. exposure to iron molecular entity exposure to iron An exposure to insecticide. exposure to insecticide exposure to insecticide An exposure to rodenticide. exposure to rodenticide exposure to rodenticide An exposure to fertilizer. exposure to fertilizer exposure to fertilizer An exposure to fungicide. exposure to fungicide exposure to fungicide An exposure to perfluorooctane-1-sulfonic acid. exposure to perfluorooctane-1-sulfonic acid exposure to perfluorooctane-1-sulfonic acid An exposure to perfluorooctanoic acid. exposure to perfluorooctanoic acid exposure to perfluorooctanoic acid An exposure to methyl tert-butyl ether. exposure to methyl tert-butyl ether exposure to methyl tert-butyl ether An exposure to radon molecular entity. exposure to radon molecular entity exposure to radon An exposure to bromomethane. exposure to bromomethane exposure to methyl bromide An exposure to propan-2-ol. exposure to isopropanol exposure to isopropyl alcohol exposure to propan-2-ol exposure to rubbing alcohol exposure to propan-2-ol An exposure to butan-1-ol. exposure to butan-1-ol exposure to butan-1-ol An exposure to toluene meta-diisocyanate. exposure to toluene meta-diisocyanate exposure to toluene meta-diisocyanate An exposure to toluene 2,6-diisocyanate. exposure to toluene 2,6-diisocyanate exposure to toluene 2,6-diisocyanate An exposure to toluene 2,4-diisocyanate. exposure to toluene 2,4-diisocyanate exposure to toluene 2,4-diisocyanate An exposure to diphenylmethane-4,4'-diisocyanate. exposure to diphenylmethane-4,4'-diisocyanate exposure to diphenylmethane-4,4'-diisocyanate An exposure to uranium molecular entity. exposure to uranium molecular entity exposure to uranium An exposure to polymer. exposure to polymer exposure to polymer An exposure to solvent. exposure to solvent exposure to solvent An exposure to sodium carbonate. exposure to sodium carbonate exposure to sodium carbonate An exposure to sodium silicate. exposure to sodium silicate exposure to sodium silicate An exposure to EDTA(2-). exposure to EDTA(2-) exposure to EDTA(2-) An exposure to hexane. exposure to hexane exposure to hexane An exposure to heptane. exposure to heptane exposure to heptane An exposure to rubber particle. exposure to rubber particle exposure to rubber particle An exposure to epichlorohydrin. exposure to epichlorohydrin exposure to epichlorohydrin An exposure to polyethylene polymer. exposure to polyethylene polymer exposure to polyethylene polymer An exposure to alpha-pinene. exposure to alpha-pinene exposure to alpha-pinene An exposure to beta-pinene. exposure to beta-pinene exposure to beta-pinene An exposure to citronellol. exposure to citronellol exposure to citronellol An exposure to citronellal. exposure to citronellal exposure to citronellal An exposure to geraniol. exposure to geraniol exposure to geraniol An exposure to N,N-diethyl-m-toluamide. exposure to N,N-diethyl-m-toluamide exposure to N,N-diethyl-m-toluamide An exposure to cyfluthrin. exposure to cyfluthrin exposure to cyfluthrin An exposure to folic acid. exposure to folic acid exposure to folic acid An exposure to 5-methyltetrahydrofolate. exposure to 5-methyltetrahydrofolate exposure to 5-methyltetrahydrofolate An exposure to vitamin A. exposure to vitamin A exposure to vitamin A An exposure to beta-carotene. exposure to beta-carotene exposure to beta-carotene An exposure to retinyl palmitate. exposure to retinyl palmitate exposure to retinyl palmitate An exposure to all-trans-retinol. exposure to all-trans-retinol exposure to all-trans-retinol An exposure to all-trans-retinal. exposure to all-trans-retinal exposure to all-trans-retinal An exposure to 11-cis-retinal. exposure to 11-cis-retinal exposure to 11-cis-retinal An exposure to all-trans-retinoic acid. exposure to all-trans-retinoic acid exposure to all-trans-retinoic acid An exposure to 9-cis-retinoic acid. exposure to 9-cis-retinoic acid exposure to 9-cis-retinoic acid An exposure to vitamin D. exposure to vitamin D exposure to vitamin D An exposure to vitamin D2. exposure to vitamin D2 exposure to vitamin D2 An exposure to D3 vitamins. exposure to D3 vitamins exposure to vitamin D3 An exposure to tocopherol. exposure to tocopherol exposure to tocopherol An exposure to (R,R,R)-alpha-tocopherol. exposure to (R,R,R)-alpha-tocopherol exposure to (+)-alpha-tocopherol An exposure to (S,S,S)-alpha-tocopherol. exposure to (S,S,S)-alpha-tocopherol exposure to (-)-alpha-tocopherol An exposure to vitamin K. exposure to vitamin K exposure to vitamin K An exposure to phylloquinone. exposure to phylloquinone exposure to phylloquinone An exposure to menaquinone. exposure to menaquinone exposure to menaquinone An exposure to menadione. exposure to menadione exposure to menadione An exposure to http://purl.obolibrary.org/obo/CHEBI_21241. exposure to http://purl.obolibrary.org/obo/CHEBI_21241 exposure to vitamin C An exposure to L-ascorbic acid. exposure to L-ascorbic acid exposure to L-ascorbic acid An exposure to ascorbic acid. exposure to ascorbic acid exposure to ascorbic acid An exposure to sodium ascorbate. exposure to sodium ascorbate exposure to sodium ascorbate An exposure to vitamin B1. exposure to vitamin B1 exposure to thiamine An exposure to thiamine hydrochloride. exposure to thiamine hydrochloride exposure to thiamine hydrochloride An exposure to riboflavin. exposure to riboflavin exposure to riboflavin An exposure to reactive oxygen species. exposure to reactive oxygen species exposure to reactive oxygen species An exposure to superoxide. exposure to superoxide exposure to superoxide An exposure to singlet dioxygen. exposure to singlet dioxygen exposure to singlet dioxygen An exposure to oxygen radical. exposure to oxygen radical exposure to oxygen radical An exposure to amphetamine. exposure to amphetamine exposure to amphetamine An exposure to lipid hydroperoxide. exposure to lipid hydroperoxide exposure to lipid hydroperoxide An exposure to water. exposure to water exposure to water An exposure to photon. exposure to photon exposure to photon An exposure to ethene. exposure to ethene exposure to ethene An exposure to 2-cis-abscisic acid. exposure to 2-cis-abscisic acid exposure to 2-cis-abscisic acid An exposure to gibberellin. exposure to gibberellin exposure to gibberellin An exposure to brassinosteroid. exposure to brassinosteroid exposure to brassinosteroid An exposure to carbohydrate. exposure to carbohydrate exposure to carbohydrate An exposure to sucrose. exposure to sucrose exposure to sucrose An exposure to hexose. exposure to hexose exposure to hexose An exposure to glucose. exposure to glucose exposure to glucose An exposure to fructose. exposure to fructose exposure to fructose An exposure to salicylic acid. exposure to salicylic acid exposure to salicylic acid An exposure to jasmonic acid. exposure to jasmonic acid exposure to jasmonic acid An exposure to 1-aminocyclopropanecarboxylic acid. exposure to 1-aminocyclopropanecarboxylic acid exposure to 1-aminocyclopropanecarboxylic acid An exposure to acetate. exposure to acetate exposure to acetate An exposure to inorganic molecular entity. exposure to inorganic molecular entity exposure to inorganic compound An exposure to boron molecular entity. exposure to boron molecular entity exposure to boron An exposure to metal cation. exposure to metal cation exposure to metal cation An exposure to iron cation. exposure to iron cation exposure to iron cation An exposure to iron(2+). exposure to iron(2+) exposure to iron(2+) An exposure to iron(3+). exposure to iron(3+) exposure to iron(3+) An exposure to manganese cation. exposure to manganese cation exposure to manganese cation An exposure to zinc cation. exposure to zinc cation exposure to zinc cation An exposure to aluminium cation. exposure to aluminium cation exposure to aluminium cation An exposure to nickel cation. exposure to nickel cation exposure to nickel cation An exposure to chlorate. exposure to chlorate exposure to chlorate An exposure to caesium molecular entity. exposure to caesium molecular entity exposure to caesium An exposure to nitrate. exposure to nitrate exposure to nitrate An exposure to chitin. exposure to chitin exposure to chitin An exposure to lithium(1+). exposure to lithium(1+) exposure to lithium(1+) An exposure to proline. exposure to proline exposure to proline An exposure to organonitrogen compound. exposure to organonitrogen compound exposure to organonitrogen compound An exposure to thiamine(1+). exposure to thiamine(1+) exposure to thiamine(1+) An exposure to selenium ion. exposure to selenium ion exposure to selenium ion An exposure to silver cation. exposure to silver cation exposure to silver cation An exposure to lead cation. exposure to lead cation exposure to lead cation An exposure to trehalose. exposure to trehalose exposure to trehalose An exposure to sulfur dioxide. exposure to sulfur dioxide exposure to sulfur dioxide An exposure to mannitol. exposure to mannitol exposure to mannitol An exposure to cycloalkane. exposure to cycloalkane exposure to cycloalkane An exposure to isoquinoline alkaloid. exposure to isoquinoline alkaloid exposure to isoquinoline alkaloid An exposure to tropane. exposure to tropane exposure to tropane An exposure to purines. exposure to purines exposure to purines An exposure to amine. exposure to amine exposure to amine An exposure to fluoxetine. exposure to fluoxetine exposure to fluoxetine An exposure to caffeine. exposure to caffeine exposure to caffeine An exposure to brefeldin A. exposure to brefeldin A exposure to brefeldin A An exposure to cobalt cation. exposure to cobalt cation exposure to cobalt cation An exposure to magnesium cation. exposure to magnesium cation exposure to magnesium cation An exposure to rhamnose. exposure to rhamnose exposure to rhamnose An exposure to estradiol. exposure to estradiol exposure to estradiol An exposure to peptidoglycan. exposure to peptidoglycan exposure to peptidoglycan An exposure to muramyl dipeptide. exposure to muramyl dipeptide exposure to muramyl dipeptide An exposure to lipopolysaccharide. exposure to lipopolysaccharide exposure to lipopolysaccharide An exposure to retinoic acid. exposure to retinoic acid exposure to retinoic acid An exposure to progesterone. exposure to progesterone exposure to progesterone obsolete vitamin K exposure true obsolete menaquinone exposure true obsolete phylloquinone exposure true An exposure to hydroperoxide. exposure to hydroperoxide exposure to hydroperoxide An exposure to alkyl hydroperoxide. exposure to alkyl hydroperoxide exposure to alkyl hydroperoxide An exposure to vitamin E. exposure to vitamin E exposure to vitamin E An exposure to ATP. exposure to ATP exposure to ATP obsolete riboflavin exposure true An exposure to testosterone. exposure to testosterone exposure to testosterone An exposure to cobalamin. exposure to cobalamin exposure to cobalamin An exposure to hydroxyisoflavone. exposure to hydroxyisoflavone exposure to hydroxyisoflavone An exposure to genistein. exposure to genistein exposure to genistein An exposure to glucagon. exposure to glucagon exposure to glucagon An exposure to triglyceride. exposure to triglyceride exposure to triglyceride obsolete silicon dioxide exposure true An exposure to oleate. exposure to oleate exposure to oleate An exposure to monosaccharide. exposure to monosaccharide exposure to monosaccharide An exposure to disaccharide. exposure to disaccharide exposure to disaccharide An exposure to maltose. exposure to maltose exposure to maltose An exposure to vitamin B6. exposure to vitamin B6 exposure to vitamin B6 An exposure to prostaglandin. exposure to prostaglandin exposure to prostaglandin An exposure to prostaglandins E. exposure to prostaglandins E exposure to prostaglandins E An exposure to prostaglandins F. exposure to prostaglandins F exposure to prostaglandins F An exposure to prostaglandins I. exposure to prostaglandins I exposure to prostaglandins I An exposure to histamine. exposure to histamine exposure to histamine An exposure to ecdysone. exposure to ecdysone exposure to ecdysone An exposure to nicotine. exposure to nicotine exposure to nicotine An exposure to stilbenoid. exposure to stilbenoid exposure to stilbenoid An exposure to nitrogen dioxide. exposure to nitrogen dioxide exposure to nitrogen dioxide An exposure to potassium(1+). exposure to potassium(1+) exposure to potassium(1+) An exposure to trichostatin A. exposure to trichostatin A exposure to trichostatin A An exposure to amiloride. exposure to amiloride exposure to amiloride An exposure to methylamine. exposure to methylamine exposure to methylamine An exposure to methylphenidate. exposure to methylphenidate exposure to methylphenidate An exposure to gemcitabine. exposure to gemcitabine exposure to gemcitabine An exposure to statin. exposure to statin exposure to statin An exposure to lapatinib. exposure to lapatinib exposure to lapatinib An exposure to 5-fluorouracil. exposure to 5-fluorouracil exposure to 5-fluorouracil An exposure to iloperidone. exposure to iloperidone exposure to iloperidone An exposure to ximelagatran. exposure to ximelagatran exposure to ximelagatran An exposure to sterol. exposure to sterol exposure to sterol An exposure to cocaine. exposure to cocaine exposure to cocaine obsolete chemical entity exposure true An exposure to hydrogen peroxide. exposure to hydrogen peroxide exposure to hydrogen peroxide An exposure to amino acid. exposure to amino acid exposure to amino acid An exposure to leucine. exposure to leucine exposure to leucine An exposure to morphine. exposure to morphine exposure to morphine An exposure to alkaloid. exposure to alkaloid exposure to alkaloid An exposure to double-stranded RNA. exposure to double-stranded RNA exposure to double-stranded RNA An exposure to peptide hormone. exposure to peptide hormone exposure to peptide hormone An exposure to corticotropin-releasing hormone. exposure to corticotropin-releasing hormone exposure to corticotropin-releasing hormone An exposure to amylopectin. exposure to amylopectin exposure to amylopectin An exposure to pullulan. exposure to pullulan exposure to pullulan An exposure to ether. exposure to ether exposure to ether An exposure to bacteriocin. exposure to bacteriocin exposure to bacteriocin An exposure to streptomycin. exposure to streptomycin exposure to streptomycin An exposure to DDT. exposure to DDT exposure to DDT An exposure to carbamate. exposure to carbamate exposure to carbamate An exposure to cyclodiene organochlorine insecticide. exposure to cyclodiene organochlorine insecticide exposure to cyclodiene organochlorine insecticide An exposure to organophosphorus compound. exposure to organophosphorus compound exposure to organophosphorus compound obsolete arsenic molecular entity exposure true An exposure to cadmium cation. exposure to cadmium cation exposure to cadmium cation An exposure to copper cation. exposure to copper cation exposure to copper cation An exposure to mercury cation. exposure to mercury cation exposure to mercury cation An exposure to tellurium ion. exposure to tellurium ion exposure to tellurium ion An exposure to cycloheximide. exposure to cycloheximide exposure to cycloheximide An exposure to mineralocorticoid. exposure to mineralocorticoid exposure to mineralocorticoid An exposure to cortisone. exposure to cortisone exposure to cortisone An exposure to cortisol. exposure to cortisol exposure to cortisol An exposure to 3',5'-cyclic AMP. exposure to 3',5'-cyclic AMP exposure to 3',5'-cyclic AMP An exposure to calcium cation. exposure to calcium cation exposure to calcium cation An exposure to methylglyoxal. exposure to methylglyoxal exposure to methylglyoxal An exposure to methylmercury(1+). exposure to methylmercury(1+) exposure to methylmercury(1+) An exposure to lipoprotein. exposure to lipoprotein exposure to lipoprotein An exposure to ammonium ion derivative. exposure to ammonium ion derivative exposure to ammonium ion An exposure to 3',5'-cyclic GMP. exposure to 3',5'-cyclic GMP exposure to 3',5'-cyclic GMP An exposure to lipoteichoic acid. exposure to lipoteichoic acid exposure to lipoteichoic acid An exposure to platinum cation. exposure to platinum cation exposure to platinum cation An exposure to fatty acid. exposure to fatty acid exposure to fatty acid An exposure to linoleate. exposure to linoleate exposure to linoleate An exposure to cholesterol. exposure to cholesterol exposure to cholesterol An exposure to biotin. exposure to biotin exposure to biotin An exposure to mycophenolate. exposure to mycophenolate exposure to mycophenolate An exposure to dexamethasone. exposure to dexamethasone exposure to dexamethasone An exposure to indole-3-methanol. exposure to indole-3-methanol exposure to indole-3-methanol An exposure to nitric oxide. exposure to nitric oxide exposure to nitric oxide An exposure to prostaglandins D. exposure to prostaglandins D exposure to prostaglandins D An exposure to monoamine. exposure to monoamine exposure to monoamine An exposure to catecholamine. exposure to catecholamine exposure to catecholamine An exposure to adrenaline. exposure to adrenaline exposure to adrenaline An exposure to noradrenaline. exposure to noradrenaline exposure to noradrenaline An exposure to bismuth ion. exposure to bismuth ion exposure to bismuth ion An exposure to methyl methanesulfonate. exposure to methyl methanesulfonate exposure to methyl methanesulfonate An exposure to mercaptoethanol. exposure to mercaptoethanol exposure to mercaptoethanol An exposure to sodium dodecyl sulfate. exposure to sodium dodecyl sulfate exposure to sodium dodecyl sulfate An exposure to glucitol. exposure to glucitol exposure to glucitol An exposure to hydroxyurea. exposure to hydroxyurea exposure to hydroxyurea An exposure to thiabendazole. exposure to thiabendazole exposure to thiabendazole An exposure to actinomycin D. exposure to actinomycin D exposure to actinomycin D An exposure to cisplatin. exposure to cisplatin exposure to cisplatin An exposure to 1,4-dithiothreitol. exposure to 1,4-dithiothreitol exposure to 1,4-dithiothreitol An exposure to amitrole. exposure to amitrole exposure to amitrole An exposure to 4-nitroquinoline N-oxide. exposure to 4-nitroquinoline N-oxide exposure to 4-nitroquinoline N-oxide An exposure to CCCP. exposure to CCCP exposure to CCCP An exposure to papulacandin B. exposure to papulacandin B exposure to papulacandin B An exposure to staurosporine. exposure to staurosporine exposure to staurosporine An exposure to tert-butyl hydroperoxide. exposure to tert-butyl hydroperoxide exposure to tert-butyl hydroperoxide An exposure to 1,1'-azobis(N,N-dimethylformamide). exposure to 1,1'-azobis(N,N-dimethylformamide) exposure to 1,1'-azobis(N,N-dimethylformamide) An exposure to benzoic acid. exposure to benzoic acid exposure to benzoic acid An exposure to indole-3-butyric acid. exposure to indole-3-butyric acid exposure to indole-3-butyric acid An exposure to nitrite. exposure to nitrite exposure to nitrite An exposure to histidine. exposure to histidine exposure to histidine An exposure to phenylalanine. exposure to phenylalanine exposure to phenylalanine An exposure to alpha,alpha-trehalose 6-phosphate(2-). exposure to alpha,alpha-trehalose 6-phosphate(2-) exposure to alpha,alpha-trehalose 6-phosphate(2-) An exposure to phenylpropanoid. exposure to phenylpropanoid exposure to phenylpropanoid An exposure to L-thyroxine. exposure to L-thyroxine exposure to L-thyroxine An exposure to azide anion. exposure to azide anion exposure to azide anion An exposure to farnesol. exposure to farnesol exposure to farnesol An exposure to N-acetyl-D-glucosamine. exposure to N-acetyl-D-glucosamine exposure to N-acetyl-D-glucosamine An exposure to carboplatin. exposure to carboplatin exposure to carboplatin An exposure to floxuridine. exposure to floxuridine exposure to 5-fluoro-2'-deoxyuridine An exposure to cytarabine. exposure to cytarabine exposure to cytarabine An exposure to olanzapine. exposure to olanzapine exposure to olanzapine An exposure to perphenazine. exposure to perphenazine exposure to perphenazine An exposure to quetiapine. exposure to quetiapine exposure to quetiapine An exposure to risperidone. exposure to risperidone exposure to risperidone An exposure to ziprasidone. exposure to ziprasidone exposure to ziprasidone An exposure to clozapine. exposure to clozapine exposure to clozapine An exposure to chloramphenicol. exposure to chloramphenicol exposure to chloramphenicol An exposure to erythromycin. exposure to erythromycin exposure to erythromycin An exposure to trichodermin. exposure to trichodermin exposure to trichodermin An exposure to antimycin A. exposure to antimycin A exposure to antimycin A An exposure to tetracycline. exposure to tetracycline exposure to tetracycline An exposure to tacrolimus hydrate. exposure to tacrolimus hydrate exposure to tacrolimus hydrate An exposure to cytochalasin B. exposure to cytochalasin B exposure to cytochalasin B An exposure to leptomycin B. exposure to leptomycin B exposure to leptomycin B An exposure to L-thialysine. exposure to L-thialysine exposure to L-thialysine An exposure to L-canavanine. exposure to L-canavanine exposure to L-canavanine An exposure to sirolimus. exposure to sirolimus exposure to sirolimus An exposure to L-cysteine. exposure to L-cysteine exposure to L-cysteine An exposure to glutathione. exposure to glutathione exposure to glutathione An exposure to formic acid. exposure to formic acid exposure to formic acid An exposure to furfural. exposure to furfural exposure to furfural An exposure to propan-1-ol. exposure to propan-1-ol exposure to propan-1-ol An exposure to decalin. exposure to decalin exposure to decalin An exposure to diphenyl ether. exposure to diphenyl ether exposure to diphenyl ether An exposure to tetralin. exposure to tetralin exposure to tetralin An exposure to p-xylene. exposure to p-xylene exposure to p-xylene An exposure to hypochlorite. exposure to hypochlorite exposure to hypochlorite An exposure to raffinose. exposure to raffinose exposure to raffinose An exposure to paracetamol. exposure to paracetamol exposure to paracetamol An exposure to paclitaxel. exposure to paclitaxel exposure to paclitaxel An exposure to candesartan. exposure to candesartan exposure to candesartan An exposure to fenofibrate. exposure to fenofibrate exposure to fenofibrate An exposure to metformin. exposure to metformin exposure to metformin An exposure to ribavirin. exposure to ribavirin exposure to ribavirin An exposure to purvalanol A. exposure to purvalanol A exposure to purvalanol A An exposure to benomyl. exposure to benomyl exposure to benomyl An exposure to paraquat. exposure to paraquat exposure to paraquat An exposure to camptothecin. exposure to camptothecin exposure to camptothecin An exposure to GW 7647. exposure to GW 7647 exposure to GW 7647 An exposure to capsazepine. exposure to capsazepine exposure to capsazepine An exposure to hesperadin. exposure to hesperadin exposure to hesperadin An exposure to reversine. exposure to reversine exposure to reversine An exposure to carbendazim. exposure to carbendazim exposure to carbendazim An exposure to peptide. exposure to peptide exposure to peptide An exposure to nitrogen molecular entity. exposure to nitrogen molecular entity exposure to nitrogen An exposure to tamsulosin. exposure to tamsulosin exposure to tamsulosin An exposure to ketamine. exposure to ketamine exposure to ketamine An exposure to L-glutamate(2-). exposure to L-glutamate(2-) exposure to L-glutamate(2-) An exposure to salt. exposure to salt exposure to salt An exposure to diethyl maleate. exposure to diethyl maleate exposure to diethyl maleate An exposure to inositol. exposure to inositol exposure to inositol An exposure to catechin. exposure to catechin exposure to catechin An exposure to strigolactone. exposure to strigolactone exposure to strigolactone An exposure to chloroquine. exposure to chloroquine exposure to chloroquine An exposure to imidacloprid. exposure to imidacloprid exposure to imidacloprid An exposure to vanadate(3-). exposure to vanadate(3-) exposure to vanadate(3-) An exposure to cyclophosphamide. exposure to cyclophosphamide exposure to cyclophosphamide An exposure to docetaxel trihydrate. exposure to docetaxel trihydrate exposure to docetaxel trihydrate An exposure to doxorubicin. exposure to doxorubicin exposure to doxorubicin An exposure to etoposide. exposure to etoposide exposure to etoposide An exposure to 4'-epidoxorubicin. exposure to 4'-epidoxorubicin exposure to 4'-epidoxorubicin An exposure to N-phenylthiourea. exposure to N-phenylthiourea exposure to N-phenylthiourea An exposure to fluoride. exposure to fluoride exposure to fluoride An exposure to isobutanol. exposure to isobutanol exposure to isobutanol An exposure to plumbagin. exposure to plumbagin exposure to plumbagin An exposure to alkane. exposure to alkane exposure to alkane An exposure to nonane. exposure to nonane exposure to nonane An exposure to decane. exposure to decane exposure to decane An exposure to undecane. exposure to undecane exposure to undecane An exposure to dodecane. exposure to dodecane exposure to dodecane An exposure to isooctane. exposure to isooctane exposure to isooctane An exposure to 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one. exposure to 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one exposure to 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one An exposure to polycyclic arene. exposure to polycyclic arene exposure to polycyclic arene An exposure to dopamine. exposure to dopamine exposure to dopamine An exposure to bile acid. exposure to bile acid exposure to bile acid An exposure to glycoside. exposure to glycoside exposure to glycoside An exposure to lipoic acid. exposure to lipoic acid exposure to lipoic acid An exposure to simvastatin. exposure to simvastatin exposure to simvastatin An exposure to acetylsalicylate. exposure to acetylsalicylate exposure to acetylsalicylate An exposure to clopidogrel. exposure to clopidogrel exposure to clopidogrel An exposure to dehydroepiandrosterone. exposure to dehydroepiandrosterone exposure to dehydroepiandrosterone An exposure to 11-deoxycorticosterone. exposure to 11-deoxycorticosterone exposure to 11-deoxycorticosterone An exposure to butyrate. exposure to butyrate exposure to butyrate An exposure to L-arginine. exposure to L-arginine exposure to L-arginine An exposure to arsenite(3-). exposure to arsenite(3-) exposure to arsenite(3-) An exposure to arsenite ion. exposure to arsenite ion exposure to arsenite ion An exposure to cyanide. exposure to cyanide exposure to cyanide An exposure to sodium arsenite. exposure to sodium arsenite exposure to sodium arsenite An exposure to acrylamide. exposure to acrylamide exposure to acrylamide An exposure to latrunculin B. exposure to latrunculin B exposure to latrunculin B An exposure to micafungin. exposure to micafungin exposure to micafungin An exposure to monosodium glutamate. exposure to monosodium glutamate exposure to monosodium glutamate An exposure to Aroclor 1254. exposure to Aroclor 1254 exposure to Aroclor 1254 An exposure to serotonin. exposure to serotonin exposure to serotonin An exposure to Thyroglobulin triiodothyronine. exposure to Thyroglobulin triiodothyronine exposure to Thyroglobulin triiodothyronine An exposure to aldosterone. exposure to aldosterone exposure to aldosterone An exposure to acadesine. exposure to acadesine exposure to acadesine An exposure to vasopressin. exposure to vasopressin exposure to vasopressin An exposure to Nonylphenol. exposure to Nonylphenol exposure to Nonylphenol An exposure to desipramine. exposure to desipramine exposure to desipramine An exposure to cordycepin. exposure to cordycepin exposure to cordycepin An exposure to gold(3+). exposure to gold(3+) exposure to gold(3+) An exposure to methamphetamine hydrochloride. exposure to methamphetamine hydrochloride exposure to methamphetamine hydrochloride An exposure to 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine. exposure to 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine exposure to 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine An exposure to forskolin. exposure to forskolin exposure to forskolin An exposure to kainic acid. exposure to kainic acid exposure to kainic acid An exposure to sodium phosphate. exposure to sodium phosphate exposure to sodium phosphate An exposure to L-phenylalanine derivative. exposure to L-phenylalanine derivative exposure to L-phenylalanine derivative An exposure to thyroid stimulating hormone. exposure to thyroid stimulating hormone exposure to Thyroid stimulating hormone An exposure to nocodazole. exposure to nocodazole exposure to nocodazole An exposure to D-galactosamine. exposure to D-galactosamine exposure to D-galactosamine An exposure to L-dopa. exposure to L-dopa exposure to L-dopa An exposure to tetrahydrofolate. exposure to tetrahydrofolate exposure to tetrahydrofolate An exposure to 17alpha-ethynylestradiol. exposure to 17alpha-ethynylestradiol exposure to 17alpha-ethynylestradiol An exposure to arachidonic acid. exposure to arachidonic acid exposure to arachidonic acid An exposure to dextromethorphan. exposure to dextromethorphan exposure to dextromethorphan An exposure to diphenidol. exposure to diphenidol exposure to diphenidol An exposure to 1-oleoyl-sn-glycerol 3-phosphate. exposure to 1-oleoyl-sn-glycerol 3-phosphate exposure to 1-oleoyl-sn-glycerol 3-phosphate An exposure to wortmannin. exposure to wortmannin exposure to wortmannin An exposure to tunicamycin. exposure to tunicamycin exposure to tunicamycin An exposure to thapsigargin. exposure to thapsigargin exposure to thapsigargin An exposure to polyamine macromolecule. exposure to polyamine macromolecule exposure to polyamine macromolecule An exposure to putrescine. exposure to putrescine exposure to putrescine An exposure to glycoprotein. exposure to glycoprotein exposure to glycoprotein An exposure to monosodium L-glutamate. exposure to monosodium L-glutamate exposure to monosodium L-glutamate An exposure to 3,3',4,4',5-pentachlorobiphenyl. exposure to 3,3',4,4',5-pentachlorobiphenyl exposure to 3,3',4,4',5-pentachlorobiphenyl An exposure to 2,3,7,8-tetrachlorodibenzodioxine. exposure to 2,3,7,8-tetrachlorodibenzodioxine exposure to 2,3,7,8-tetrachlorodibenzodioxine An exposure to biphenyl. exposure to biphenyl exposure to biphenyl An exposure to dimethyl sulfoxide. exposure to dimethyl sulfoxide exposure to dimethyl sulfoxide An exposure to phorbol 13-acetate 12-myristate. exposure to phorbol 13-acetate 12-myristate exposure to phorbol 13-acetate 12-myristate An exposure to diterpene. exposure to diterpene exposure to diterpene An exposure to glucoside. exposure to glucoside exposure to glucoside An exposure to ionomycin. exposure to ionomycin exposure to ionomycin An exposure to resveratrol. exposure to resveratrol exposure to resveratrol An exposure to methionine. exposure to methionine exposure to methionine An exposure to dinitrophenol. exposure to dinitrophenol exposure to dinitrophenol An exposure to curcumin. exposure to curcumin exposure to curcumin An exposure to amyloid-beta. exposure to amyloid-beta exposure to beta-amyloid An exposure to rotenone. exposure to rotenone exposure to rotenone An exposure to 3-methylcholanthrene. exposure to 3-methylcholanthrene exposure to 3-methylcholanthrene An exposure to latrunculin A. exposure to latrunculin A exposure to latrunculin A An exposure to L-glutamine. exposure to L-glutamine exposure to L-glutamine An exposure to hydrogen sulfide. exposure to hydrogen sulfide exposure to hydrogen sulfide An exposure to palmitoleic acid. exposure to palmitoleic acid exposure to palmitoleic acid An exposure to bleomycin. exposure to bleomycin exposure to bleomycin An exposure to diosgenin. exposure to diosgenin exposure to diosgenin An exposure to haloperidol. exposure to haloperidol exposure to haloperidol An exposure to acetylcholine. exposure to acetylcholine exposure to acetylcholine An exposure to temozolomide. exposure to temozolomide exposure to temozolomide An exposure to gold molecular entity. exposure to gold molecular entity exposure to gold An exposure to angiotensin. exposure to angiotensin exposure to angiotensin An exposure to double-stranded DNA. exposure to double-stranded DNA exposure to double-stranded DNA An exposure to dioxygen. exposure to dioxygen exposure to dioxygen An exposure to atrazine. exposure to atrazine exposure to atrazine An exposure to phthalate. exposure to phthalate exposure to phthalate An exposure to chlorobenzene. exposure to chlorobenzene exposure to chlorobenzene An exposure to nitrobenzene. exposure to nitrobenzene exposure to nitrobenzene obsolete styrene exposure true obsolete tetrachloroethene exposure true An exposure to trichloroethene. exposure to trichloroethene exposure to trichloroethene An exposure to o-xylene. exposure to o-xylene exposure to o-xylene An exposure to thiocyanate. exposure to thiocyanate exposure to thiocyanate An exposure to organofluorine compound. exposure to organofluorine compound exposure to organofluorine compound An exposure to organoarsenic compound. exposure to organoarsenic compound exposure to organoarsenic compound obsolete polychlorobiphenyl exposure true An exposure to ciprofloxacin. exposure to ciprofloxacin exposure to ciprofloxacin An exposure to norfloxacin. exposure to norfloxacin exposure to norfloxacin An exposure to thiopental. exposure to thiopental exposure to thiopental An exposure to sulfamethazine. exposure to sulfamethazine exposure to sulfamethazine An exposure to 1-(3-chlorophenyl)piperazine. exposure to 1-(3-chlorophenyl)piperazine exposure to 1-(3-chlorophenyl)piperazine An exposure to metoclopramide. exposure to metoclopramide exposure to metoclopramide An exposure to 2-hydroxybenzothiazole. exposure to 2-hydroxybenzothiazole exposure to 2-hydroxybenzothiazole An exposure to diuron. exposure to diuron exposure to diuron An exposure to atomoxetine. exposure to atomoxetine exposure to atomoxetine An exposure to sulfapyridine. exposure to sulfapyridine exposure to sulfapyridine An exposure to 3,3',4,4'-tetrachlorobiphenyl. exposure to 3,3',4,4'-tetrachlorobiphenyl exposure to 3,3',4,4'-tetrachlorobiphenyl An exposure to (-)-ephedrine. exposure to (-)-ephedrine exposure to (-)-ephedrine An exposure to cyclohexylsulfamic acid. exposure to cyclohexylsulfamic acid exposure to cyclohexylsulfamic acid An exposure to aminophenazone. exposure to aminophenazone exposure to aminophenazone An exposure to pyridine. exposure to pyridine exposure to pyridine An exposure to naphthalene. exposure to naphthalene exposure to naphthalene An exposure to chlordecone. exposure to chlordecone exposure to chlordecone An exposure to DDE. exposure to DDE exposure to DDE An exposure to benzo[d]isothiazol-3-one. exposure to benzo[d]isothiazol-3-one exposure to benzo[d]isothiazol-3-one An exposure to codeine. exposure to codeine exposure to codeine An exposure to mycophenolic acid. exposure to mycophenolic acid exposure to mycophenolic acid An exposure to biphenyl-2-ol. exposure to biphenyl-2-ol exposure to biphenyl-2-ol An exposure to 3,5-dibromo-4-hydroxybenzonitrile. exposure to 3,5-dibromo-4-hydroxybenzonitrile exposure to 3,5-dibromo-4-hydroxybenzonitrile An exposure to tylosin. exposure to tylosin exposure to tylosin An exposure to propachlor. exposure to propachlor exposure to propachlor An exposure to ametryn. exposure to ametryn exposure to ametryn An exposure to acetochlor. exposure to acetochlor exposure to acetochlor An exposure to alachlor. exposure to alachlor exposure to alachlor An exposure to albuterol. exposure to albuterol exposure to albuterol An exposure to aldrin. exposure to aldrin exposure to aldrin An exposure to prometryn. exposure to prometryn exposure to prometryn An exposure to amitraz. exposure to amitraz exposure to amitraz An exposure to amitriptyline. exposure to amitriptyline exposure to amitriptyline An exposure to 1-chloro-2,2-bis(4'-chlorophenyl)ethylene. exposure to 1-chloro-2,2-bis(4'-chlorophenyl)ethylene exposure to 1-chloro-2,2-bis(4'-chlorophenyl)ethylene An exposure to simazine. exposure to simazine exposure to simazine An exposure to 4-aminobenzenesulfonic acid. exposure to 4-aminobenzenesulfonic acid exposure to 4-aminobenzenesulfonic acid An exposure to erythromycin B. exposure to erythromycin B exposure to erythromycin B An exposure to erythromycin E. exposure to erythromycin E exposure to erythromycin E An exposure to erythromycin D. exposure to erythromycin D exposure to erythromycin D An exposure to beta-hexachlorocyclohexane. exposure to beta-hexachlorocyclohexane exposure to beta-hexachlorocyclohexane An exposure to reserpine. exposure to reserpine exposure to reserpine An exposure to aspartame. exposure to aspartame exposure to aspartame An exposure to phenanthrene. exposure to phenanthrene exposure to phenanthrene An exposure to 2,4-D. exposure to 2,4-D exposure to 2,4-D An exposure to atenolol. exposure to atenolol exposure to atenolol An exposure to atorvastatin calcium trihydrate. exposure to atorvastatin calcium trihydrate exposure to atorvastatin calcium trihydrate An exposure to azithromycin. exposure to azithromycin exposure to azithromycin An exposure to kresoxim-methyl. exposure to kresoxim-methyl exposure to kresoxim-methyl An exposure to bentazone. exposure to bentazone exposure to bentazone An exposure to terbutylazine. exposure to terbutylazine exposure to terbutylazine An exposure to simeton. exposure to simeton exposure to simeton An exposure to naphthalene-2,7-disulfonic acid. exposure to naphthalene-2,7-disulfonic acid exposure to naphthalene-2,7-disulfonic acid An exposure to bicalutamide. exposure to bicalutamide exposure to bicalutamide An exposure to antipyrine. exposure to antipyrine exposure to antipyrine An exposure to esatenolol. exposure to esatenolol exposure to esatenolol An exposure to iobitridol. exposure to iobitridol exposure to iobitridol An exposure to iohexol. exposure to iohexol exposure to iohexol An exposure to iomeprol. exposure to iomeprol exposure to iomeprol An exposure to iopamidol. exposure to iopamidol exposure to iopamidol An exposure to bromacil. exposure to bromacil exposure to bromacil An exposure to saccharin. exposure to saccharin exposure to saccharin An exposure to sucralose. exposure to sucralose exposure to sucralose An exposure to sulfadimethoxine. exposure to sulfadimethoxine exposure to sulfadimethoxine An exposure to bupropion. exposure to bupropion exposure to bupropion An exposure to gamma-hexachlorocyclohexane. exposure to gamma-hexachlorocyclohexane exposure to gamma-hexachlorocyclohexane An exposure to 2-nitrotoluene. exposure to 2-nitrotoluene exposure to 2-nitrotoluene An exposure to carbamazepine. exposure to carbamazepine exposure to carbamazepine An exposure to carbetamide. exposure to carbetamide exposure to carbetamide An exposure to 1-nitronaphthalene. exposure to 1-nitronaphthalene exposure to 1-nitronaphthalene An exposure to 2,2',3,3',5,5'-hexachlorobiphenyl. exposure to 2,2',3,3',5,5'-hexachlorobiphenyl exposure to 2,2',3,3',5,5'-hexachlorobiphenyl An exposure to 2,2',3,3',6,6'-hexachlorobiphenyl. exposure to 2,2',3,3',6,6'-hexachlorobiphenyl exposure to 2,2',3,3',6,6'-hexachlorobiphenyl An exposure to 2,2',4,4',5,5'-hexachlorobiphenyl. exposure to 2,2',4,4',5,5'-hexachlorobiphenyl exposure to 2,2',4,4',5,5'-hexachlorobiphenyl An exposure to 2,2',4,4',6,6'-hexachlorobiphenyl. exposure to 2,2',4,4',6,6'-hexachlorobiphenyl exposure to 2,2',4,4',6,6'-hexachlorobiphenyl An exposure to 2,2',4,4'-tetrachlorobiphenyl. exposure to 2,2',4,4'-tetrachlorobiphenyl exposure to 2,2',4,4'-tetrachlorobiphenyl An exposure to 2,2',4,5-tetrachlorobiphenyl. exposure to 2,2',4,5-tetrachlorobiphenyl exposure to 2,2',4,5-tetrachlorobiphenyl An exposure to 2,2',5,5'-tetrachlorobiphenyl. exposure to 2,2',5,5'-tetrachlorobiphenyl exposure to 2,2',5,5'-tetrachlorobiphenyl An exposure to 2,3',5-trichlorobiphenyl. exposure to 2,3',5-trichlorobiphenyl exposure to 2,3',5-trichlorobiphenyl An exposure to 2,3,3',4,5-pentachlorobiphenyl. exposure to 2,3,3',4,5-pentachlorobiphenyl exposure to 2,3,3',4,5-pentachlorobiphenyl An exposure to 2,3,4,4'-tetrachlorobiphenyl. exposure to 2,3,4,4'-tetrachlorobiphenyl exposure to 2,3,4,4'-tetrachlorobiphenyl An exposure to 2,3,4,5,6-pentachlorobiphenyl. exposure to 2,3,4,5,6-pentachlorobiphenyl exposure to 2,3,4,5,6-pentachlorobiphenyl An exposure to 2,3,4,5-tetrachlorobiphenyl. exposure to 2,3,4,5-tetrachlorobiphenyl exposure to 2,3,4,5-tetrachlorobiphenyl An exposure to 2,3,4-trichlorobiphenyl. exposure to 2,3,4-trichlorobiphenyl exposure to 2,3,4-trichlorobiphenyl An exposure to 2,3,5,6-tetrachlorobiphenyl. exposure to 2,3,5,6-tetrachlorobiphenyl exposure to 2,3,5,6-tetrachlorobiphenyl An exposure to 2,3,6-trichlorobiphenyl. exposure to 2,3,6-trichlorobiphenyl exposure to 2,3,6-trichlorobiphenyl An exposure to 2,4'-dichlorobiphenyl. exposure to 2,4'-dichlorobiphenyl exposure to 2,4'-dichlorobiphenyl An exposure to 2,4,4',6-tetrachlorobiphenyl. exposure to 2,4,4',6-tetrachlorobiphenyl exposure to 2,4,4',6-tetrachlorobiphenyl An exposure to 2,5-dichlorobiphenyl. exposure to 2,5-dichlorobiphenyl exposure to 2,5-dichlorobiphenyl An exposure to 2,6-dichlorobiphenyl. exposure to 2,6-dichlorobiphenyl exposure to 2,6-dichlorobiphenyl An exposure to 2,6-dimethylnaphthalene. exposure to 2,6-dimethylnaphthalene exposure to 2,6-dimethylnaphthalene An exposure to oxybenzone. exposure to oxybenzone exposure to oxybenzone An exposure to fenobucarb. exposure to fenobucarb exposure to fenobucarb An exposure to 3,5-dichlorobiphenyl. exposure to 3,5-dichlorobiphenyl exposure to 3,5-dichlorobiphenyl An exposure to 4,4'-dichlorobiphenyl. exposure to 4,4'-dichlorobiphenyl exposure to 4,4'-dichlorobiphenyl An exposure to 4-nonylphenol. exposure to 4-nonylphenol exposure to 4-nonylphenol An exposure to bromodichloromethane. exposure to bromodichloromethane exposure to bromodichloromethane An exposure to chlordane. exposure to chlordane exposure to chlordane An exposure to chlorpyrifos. exposure to chlorpyrifos exposure to chlorpyrifos An exposure to chlorpyrifos-methyl. exposure to chlorpyrifos-methyl exposure to chlorpyrifos-methyl An exposure to decachlorobiphenyl. exposure to decachlorobiphenyl exposure to decachlorobiphenyl An exposure to diazinon. exposure to diazinon exposure to diazinon An exposure to dibutyl phthalate. exposure to dibutyl phthalate exposure to dibutyl phthalate An exposure to dimethoate. exposure to dimethoate exposure to dimethoate An exposure to dinoseb. exposure to dinoseb exposure to dinoseb An exposure to heptachlor. exposure to heptachlor exposure to heptachlor An exposure to metribuzin. exposure to metribuzin exposure to metribuzin An exposure to mirex. exposure to mirex exposure to mirex An exposure to prometon. exposure to prometon exposure to prometon An exposure to trifluralin. exposure to trifluralin exposure to trifluralin An exposure to tris(2-butoxyethyl) phosphate. exposure to tris(2-butoxyethyl) phosphate exposure to tris(2-butoxyethyl) phosphate An exposure to 3,3',5,5'-tetrachlorobiphenyl. exposure to 3,3',5,5'-tetrachlorobiphenyl exposure to 3,3',5,5'-tetrachlorobiphenyl An exposure to perfluorodecanoic acid. exposure to perfluorodecanoic acid exposure to perfluorodecanoic acid An exposure to perfluoroheptanoic acid. exposure to perfluoroheptanoic acid exposure to perfluoroheptanoic acid obsolete perfluorooctanoic acid exposure true An exposure to cetirizine. exposure to cetirizine exposure to cetirizine An exposure to dichlorobiphenyl. exposure to dichlorobiphenyl exposure to dichlorobiphenyl An exposure to trichlorobiphenyl. exposure to trichlorobiphenyl exposure to trichlorobiphenyl An exposure to tetrachlorobiphenyl. exposure to tetrachlorobiphenyl exposure to tetrachlorobiphenyl An exposure to pentachlorobiphenyl. exposure to pentachlorobiphenyl exposure to pentachlorobiphenyl An exposure to hexachlorobiphenyl. exposure to hexachlorobiphenyl exposure to hexachlorobiphenyl An exposure to (S)-bupropion. exposure to (S)-bupropion exposure to (S)-bupropion An exposure to (R)-bupropion. exposure to (R)-bupropion exposure to (R)-bupropion An exposure to (trifluoromethyl)benzene. exposure to (trifluoromethyl)benzene exposure to (trifluoromethyl)benzene An exposure to cilastatin. exposure to cilastatin exposure to cilastatin An exposure to citalopram. exposure to citalopram exposure to citalopram An exposure to clarithromycin. exposure to clarithromycin exposure to clarithromycin An exposure to clindamycin. exposure to clindamycin exposure to clindamycin An exposure to clomazone. exposure to clomazone exposure to clomazone An exposure to clotrimazole. exposure to clotrimazole exposure to clotrimazole An exposure to propazine. exposure to propazine exposure to propazine An exposure to cyanazine. exposure to cyanazine exposure to cyanazine An exposure to monuron. exposure to monuron exposure to monuron An exposure to mesotrione. exposure to mesotrione exposure to mesotrione An exposure to perfluorononanoic acid. exposure to perfluorononanoic acid exposure to perfluorononanoic acid An exposure to methoxyfenozide. exposure to methoxyfenozide exposure to methoxyfenozide An exposure to tebufenozide. exposure to tebufenozide exposure to tebufenozide An exposure to methiocarb. exposure to methiocarb exposure to methiocarb An exposure to rosuvastatin. exposure to rosuvastatin exposure to rosuvastatin An exposure to ethion. exposure to ethion exposure to ethion An exposure to parathion-methyl. exposure to parathion-methyl exposure to parathion-methyl An exposure to pirimiphos-methyl. exposure to pirimiphos-methyl exposure to pirimiphos-methyl An exposure to cis-chlordane. exposure to cis-chlordane exposure to cis-chlordane An exposure to trans-chlordane. exposure to trans-chlordane exposure to trans-chlordane An exposure to alpha-hexachlorocyclohexane. exposure to alpha-hexachlorocyclohexane exposure to alpha-hexachlorocyclohexane An exposure to acetamiprid. exposure to acetamiprid exposure to acetamiprid An exposure to (E)-acetamiprid. exposure to (E)-acetamiprid exposure to (E)-acetamiprid An exposure to (Z)-acetamiprid. exposure to (Z)-acetamiprid exposure to (Z)-acetamiprid An exposure to (E)-imidacloprid. exposure to (E)-imidacloprid exposure to (E)-imidacloprid An exposure to (Z)-imidacloprid. exposure to (Z)-imidacloprid exposure to (Z)-imidacloprid An exposure to thiacloprid. exposure to thiacloprid exposure to thiacloprid An exposure to (Z)-thiacloprid. exposure to (Z)-thiacloprid exposure to (Z)-thiacloprid An exposure to (E)-clothianidin. exposure to (E)-clothianidin exposure to (E)-clothianidin An exposure to clothianidin. exposure to clothianidin exposure to clothianidin An exposure to thiamethoxam. exposure to thiamethoxam exposure to thiamethoxam An exposure to (E)-thiamethoxam. exposure to (E)-thiamethoxam exposure to (E)-thiamethoxam An exposure to flonicamid. exposure to flonicamid exposure to flonicamid An exposure to pymetrozine. exposure to pymetrozine exposure to pymetrozine An exposure to teflubenzuron. exposure to teflubenzuron exposure to teflubenzuron An exposure to perfluorobutyric acid. exposure to perfluorobutyric acid exposure to perfluorobutyric acid An exposure to atorvastatin. exposure to atorvastatin exposure to atorvastatin An exposure to metsulfuron methyl. exposure to metsulfuron methyl exposure to metsulfuron methyl An exposure to sitagliptin. exposure to sitagliptin exposure to sitagliptin An exposure to cyprodinil. exposure to cyprodinil exposure to cyprodinil An exposure to azoxystrobin. exposure to azoxystrobin exposure to azoxystrobin An exposure to decylamine-N,N-dimethyl-N-oxide. exposure to decylamine-N,N-dimethyl-N-oxide exposure to decylamine-N,N-dimethyl-N-oxide An exposure to erythromycin A. exposure to erythromycin A exposure to erythromycin A An exposure to (R)-amphetamine. exposure to (R)-amphetamine exposure to (R)-amphetamine An exposure to gabapentin. exposure to gabapentin exposure to gabapentin An exposure to dexibuprofen. exposure to dexibuprofen exposure to dexibuprofen An exposure to terbutryn. exposure to terbutryn exposure to terbutryn An exposure to naphthalene-2-sulfonic acid. exposure to naphthalene-2-sulfonic acid exposure to naphthalene-2-sulfonic acid An exposure to (S)-amphetamine. exposure to (S)-amphetamine exposure to (S)-amphetamine An exposure to ritonavir. exposure to ritonavir exposure to ritonavir An exposure to trimethoprim. exposure to trimethoprim exposure to trimethoprim An exposure to benzothiazole. exposure to benzothiazole exposure to benzothiazole An exposure to fluconazole. exposure to fluconazole exposure to fluconazole An exposure to diglyme. exposure to diglyme exposure to diglyme An exposure to pentachlorobenzene. exposure to pentachlorobenzene exposure to pentachlorobenzene An exposure to diclofenac. exposure to diclofenac exposure to diclofenac An exposure to furosemide. exposure to furosemide exposure to furosemide An exposure to bezafibrate. exposure to bezafibrate exposure to bezafibrate An exposure to 2,4,6-tribromophenol. exposure to 2,4,6-tribromophenol exposure to 2,4,6-tribromophenol An exposure to levibuprofen. exposure to levibuprofen exposure to levibuprofen An exposure to endosulfan. exposure to endosulfan exposure to endosulfan An exposure to epoxiconazole. exposure to epoxiconazole exposure to epoxiconazole An exposure to eprosartan. exposure to eprosartan exposure to eprosartan An exposure to trichlorofluoromethane. exposure to trichlorofluoromethane exposure to trichlorofluoromethane An exposure to triclocarban. exposure to triclocarban exposure to triclocarban An exposure to ethambutol. exposure to ethambutol exposure to ethambutol An exposure to (E)-roxithromycin. exposure to (E)-roxithromycin exposure to (E)-roxithromycin An exposure to exemestane. exposure to exemestane exposure to exemestane An exposure to diazepam. exposure to diazepam exposure to diazepam An exposure to indometacin. exposure to indometacin exposure to indometacin An exposure to fenoxycarb. exposure to fenoxycarb exposure to fenoxycarb An exposure to (4-chloro-2-methylphenoxy)acetic acid. exposure to (4-chloro-2-methylphenoxy)acetic acid exposure to (4-chloro-2-methylphenoxy)acetic acid An exposure to fenpropimorph. exposure to fenpropimorph exposure to fenpropimorph An exposure to fipronil. exposure to fipronil exposure to fipronil An exposure to dronedarone. exposure to dronedarone exposure to dronedarone An exposure to acamprosate. exposure to acamprosate exposure to acamprosate exposure to (RS)-amphetamine true An exposure to chloromethylisothiazolinone. exposure to chloromethylisothiazolinone exposure to chloromethylisothiazolinone An exposure to amidotrizoic acid. exposure to amidotrizoic acid exposure to amidotrizoic acid An exposure to (R)-atenolol. exposure to (R)-atenolol exposure to (R)-atenolol An exposure to hexachlorobenzene. exposure to hexachlorobenzene exposure to hexachlorobenzene An exposure to hydrochlorothiazide. exposure to hydrochlorothiazide exposure to hydrochlorothiazide An exposure to (R)-ketamine. exposure to (R)-ketamine exposure to (R)-ketamine An exposure to ibuprofen. exposure to ibuprofen exposure to ibuprofen An exposure to ifosfamide. exposure to ifosfamide exposure to ifosfamide An exposure to mephedrone. exposure to mephedrone exposure to mephedrone An exposure to irbesartan. exposure to irbesartan exposure to irbesartan An exposure to irgarol 1051. exposure to irgarol 1051 exposure to irgarol 1051 An exposure to isoprothiolane. exposure to isoprothiolane exposure to isoprothiolane An exposure to isoproturon. exposure to isoproturon exposure to isoproturon An exposure to esketamine. exposure to esketamine exposure to esketamine An exposure to ketoprofen. exposure to ketoprofen exposure to ketoprofen An exposure to iopromide. exposure to iopromide exposure to iopromide An exposure to pravastatin. exposure to pravastatin exposure to pravastatin An exposure to sotalol. exposure to sotalol exposure to sotalol An exposure to lamotrigine. exposure to lamotrigine exposure to lamotrigine An exposure to amisulpride. exposure to amisulpride exposure to amisulpride An exposure to lenacil. exposure to lenacil exposure to lenacil An exposure to erythromycin C. exposure to erythromycin C exposure to erythromycin C An exposure to levamisole. exposure to levamisole exposure to levamisole An exposure to levetiracetam. exposure to levetiracetam exposure to levetiracetam An exposure to lidocaine. exposure to lidocaine exposure to lidocaine An exposure to linuron. exposure to linuron exposure to linuron An exposure to mefenamic acid. exposure to mefenamic acid exposure to mefenamic acid An exposure to metalaxyl. exposure to metalaxyl exposure to metalaxyl An exposure to metamitron. exposure to metamitron exposure to metamitron An exposure to metazachlor. exposure to metazachlor exposure to metazachlor An exposure to metformin hydrochloride. exposure to metformin hydrochloride exposure to metformin hydrochloride An exposure to methadone. exposure to methadone exposure to methadone An exposure to methamphetamine. exposure to methamphetamine exposure to methamphetamine An exposure to methomyl. exposure to methomyl exposure to methomyl An exposure to 6alpha-methylprednisolone. exposure to 6alpha-methylprednisolone exposure to 6alpha-methylprednisolone An exposure to metolachlor. exposure to metolachlor exposure to metolachlor An exposure to metoprolol. exposure to metoprolol exposure to metoprolol An exposure to metronidazole. exposure to metronidazole exposure to metronidazole An exposure to microcystin-LR. exposure to microcystin-LR exposure to microcystin-LR obsolete N,N-diethyl-m-toluamide exposure true An exposure to malachite green. exposure to malachite green exposure to malachite green An exposure to naltrexone. exposure to naltrexone exposure to naltrexone An exposure to naproxen. exposure to naproxen exposure to naproxen An exposure to myclobutanil. exposure to myclobutanil exposure to myclobutanil An exposure to benzotriazole. exposure to benzotriazole exposure to benzotriazole An exposure to dichlorprop. exposure to dichlorprop exposure to dichlorprop An exposure to nicosulfuron. exposure to nicosulfuron exposure to nicosulfuron An exposure to mecoprop. exposure to mecoprop exposure to mecoprop An exposure to triphenylmethane. exposure to triphenylmethane exposure to triphenylmethane An exposure to N-nitrosopiperidine. exposure to N-nitrosopiperidine exposure to N-nitrosopiperidine An exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole. exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole An exposure to dexamisole. exposure to dexamisole exposure to dexamisole An exposure to orbencarb. exposure to orbencarb exposure to orbencarb An exposure to toxaphene. exposure to toxaphene exposure to toxaphene An exposure to oseltamivir. exposure to oseltamivir exposure to oseltamivir An exposure to oxazepam. exposure to oxazepam exposure to oxazepam An exposure to cumene hydroperoxide. exposure to cumene hydroperoxide exposure to cumene hydroperoxide An exposure to pyraclostrobin. exposure to pyraclostrobin exposure to pyraclostrobin An exposure to pantoprazole. exposure to pantoprazole exposure to pantoprazole An exposure to 3,4,4',5-Tetrachlorobiphenyl. exposure to 3,4,4',5-Tetrachlorobiphenyl exposure to 3,4,4',5-Tetrachlorobiphenyl An exposure to 3,4,5,3',4',5'-Hexachlorobiphenyl. exposure to 3,4,5,3',4',5'-Hexachlorobiphenyl exposure to 3,4,5,3',4',5'-Hexachlorobiphenyl An exposure to 2,3,4,3',4'-Pentachlorobiphenyl. exposure to 2,3,4,3',4'-Pentachlorobiphenyl exposure to 2,3,4,3',4'-Pentachlorobiphenyl An exposure to 2,3,4,4',5-Pentachlorobiphenyl. exposure to 2,3,4,4',5-Pentachlorobiphenyl exposure to 2,3,4,4',5-Pentachlorobiphenyl An exposure to 2,3',4,4',5-Pentachlorobiphenyl. exposure to 2,3',4,4',5-Pentachlorobiphenyl exposure to 2,3',4,4',5-Pentachlorobiphenyl An exposure to 2,3',4,4',5'-Pentachlorobiphenyl. exposure to 2,3',4,4',5'-Pentachlorobiphenyl exposure to 2,3',4,4',5'-Pentachlorobiphenyl An exposure to 2,3,3',4,4',5-Hexachlorobiphenyl. exposure to 2,3,3',4,4',5-Hexachlorobiphenyl exposure to 2,3,3',4,4',5-Hexachlorobiphenyl An exposure to 2,3,3',4,4',5'-Hexachlorobiphenyl. exposure to 2,3,3',4,4',5'-Hexachlorobiphenyl exposure to 2,3,3',4,4',5'-Hexachlorobiphenyl An exposure to 2,3',4,4',5,5'-Hexachlorobiphenyl. exposure to 2,3',4,4',5,5'-Hexachlorobiphenyl exposure to 2,3',4,4',5,5'-Hexachlorobiphenyl An exposure to 2,3,3',4,4',5,5'-Heptachlorobiphenyl. exposure to 2,3,3',4,4',5,5'-Heptachlorobiphenyl exposure to 2,3,3',4,4',5,5'-Heptachlorobiphenyl An exposure to asulam. exposure to asulam exposure to asulam An exposure to desmedipham. exposure to desmedipham exposure to desmedipham An exposure to phenmedipham. exposure to phenmedipham exposure to phenmedipham An exposure to cyproconazole. exposure to cyproconazole exposure to cyproconazole An exposure to difenoconazole. exposure to difenoconazole exposure to difenoconazole An exposure to tebuconazole. exposure to tebuconazole exposure to tebuconazole An exposure to cymoxanil. exposure to cymoxanil exposure to cymoxanil An exposure to dimethenamid. exposure to dimethenamid exposure to dimethenamid An exposure to fluazifop. exposure to fluazifop exposure to fluazifop An exposure to 2-methyl-4-chlorophenoxybutyric acid. exposure to 2-methyl-4-chlorophenoxybutyric acid exposure to 2-methyl-4-chlorophenoxybutyric acid An exposure to trinexapac-ethyl. exposure to trinexapac-ethyl exposure to trinexapac-ethyl An exposure to ioxynil. exposure to ioxynil exposure to ioxynil An exposure to boscalid. exposure to boscalid exposure to boscalid An exposure to diflufenican. exposure to diflufenican exposure to diflufenican An exposure to chloridazon. exposure to chloridazon exposure to chloridazon An exposure to fluazinam. exposure to fluazinam exposure to fluazinam An exposure to dimethomorph. exposure to dimethomorph exposure to dimethomorph An exposure to dicamba. exposure to dicamba exposure to dicamba An exposure to imazamox. exposure to imazamox exposure to imazamox An exposure to dimethachlor. exposure to dimethachlor exposure to dimethachlor An exposure to fenpropidin. exposure to fenpropidin exposure to fenpropidin An exposure to flufenacet. exposure to flufenacet exposure to flufenacet An exposure to flusilazole. exposure to flusilazole exposure to flusilazole An exposure to octhilinone. exposure to octhilinone exposure to octhilinone An exposure to prosulfocarb. exposure to prosulfocarb exposure to prosulfocarb An exposure to sulfluramid. exposure to sulfluramid exposure to sulfluramid An exposure to terbumeton. exposure to terbumeton exposure to terbumeton An exposure to chlorotoluron. exposure to chlorotoluron exposure to chlorotoluron An exposure to ethofumesate. exposure to ethofumesate exposure to ethofumesate An exposure to fluroxypyr. exposure to fluroxypyr exposure to fluroxypyr An exposure to iprovalicarb. exposure to iprovalicarb exposure to iprovalicarb An exposure to napropamide. exposure to napropamide exposure to napropamide An exposure to propamocarb. exposure to propamocarb exposure to propamocarb An exposure to propaquizafop. exposure to propaquizafop exposure to propaquizafop An exposure to tebutam. exposure to tebutam exposure to tebutam An exposure to atraton. exposure to atraton exposure to atraton An exposure to secbumeton. exposure to secbumeton exposure to secbumeton An exposure to pirimicarb. exposure to pirimicarb exposure to pirimicarb An exposure to 3-iodoprop-2-yn-1-yl butylcarbamate. exposure to 3-iodoprop-2-yn-1-yl butylcarbamate exposure to 3-iodoprop-2-yn-1-yl butylcarbamate An exposure to thifensulfuron-methyl. exposure to thifensulfuron-methyl exposure to thifensulfuron-methyl An exposure to 5-methyl-1H-benzotriazole. exposure to 5-methyl-1H-benzotriazole exposure to 5-methyl-1H-benzotriazole An exposure to sulcotrione. exposure to sulcotrione exposure to sulcotrione An exposure to perfluoropentanoic acid. exposure to perfluoropentanoic acid exposure to perfluoropentanoic acid An exposure to perfluorohexanoic acid. exposure to perfluorohexanoic acid exposure to perfluorohexanoic acid An exposure to perfluoroundecanoic acid. exposure to perfluoroundecanoic acid exposure to perfluoroundecanoic acid An exposure to 6:2 fluorotelomer unsaturated carboxylic acid. exposure to 6:2 fluorotelomer unsaturated carboxylic acid exposure to 6:2 fluorotelomer unsaturated carboxylic acid An exposure to 8:2 fluorotelomer unsaturated carboxylic acid. exposure to 8:2 fluorotelomer unsaturated carboxylic acid exposure to 8:2 fluorotelomer unsaturated carboxylic acid An exposure to climbazole. exposure to climbazole exposure to climbazole An exposure to tritosulfuron. exposure to tritosulfuron exposure to tritosulfuron An exposure to acesulfame. exposure to acesulfame exposure to acesulfame An exposure to foramsulfuron. exposure to foramsulfuron exposure to foramsulfuron An exposure to neotame. exposure to neotame exposure to neotame An exposure to perfluorooctane sulfonamidoacetic acid. exposure to perfluorooctane sulfonamidoacetic acid exposure to perfluorooctane sulfonamidoacetic acid An exposure to N-methylperfluorooctane sulfonamidoacetic acid. exposure to N-methylperfluorooctane sulfonamidoacetic acid exposure to N-methylperfluorooctane sulfonamidoacetic acid An exposure to N-ethylperfluorooctane sulfonamidoacetic acid. exposure to N-ethylperfluorooctane sulfonamidoacetic acid exposure to N-ethylperfluorooctane sulfonamidoacetic acid An exposure to perfluorooctyl phosphate. exposure to perfluorooctyl phosphate exposure to perfluorooctyl phosphate An exposure to iooxitalamic acid. exposure to iooxitalamic acid exposure to iooxitalamic acid An exposure to 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone. exposure to 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone exposure to 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone An exposure to sebuthylazine. exposure to sebuthylazine exposure to sebuthylazine An exposure to pethoxamide. exposure to pethoxamide exposure to pethoxamide An exposure to pinoxaden. exposure to pinoxaden exposure to pinoxaden An exposure to moclobemide. exposure to moclobemide exposure to moclobemide An exposure to neohesperidin dihydrochalcone. exposure to neohesperidin dihydrochalcone exposure to neohesperidin dihydrochalcone An exposure to 1-(3-(trifluoromethyl)phenyl)piperazine. exposure to 1-(3-(trifluoromethyl)phenyl)piperazine exposure to 1-(3-(trifluoromethyl)phenyl)piperazine An exposure to 1-benzylpiperazine. exposure to 1-benzylpiperazine exposure to 1-benzylpiperazine An exposure to bisperfluorooctyl phosphate. exposure to bisperfluorooctyl phosphate exposure to bisperfluorooctyl phosphate An exposure to bisperfluorodecyl phosphate. exposure to bisperfluorodecyl phosphate exposure to bisperfluorodecyl phosphate An exposure to perfluorodecyl phosphate. exposure to perfluorodecyl phosphate exposure to perfluorodecyl phosphate An exposure to pendimethalin. exposure to pendimethalin exposure to pendimethalin An exposure to prednisolone. exposure to prednisolone exposure to prednisolone An exposure to primidone. exposure to primidone exposure to primidone An exposure to quinmerac. exposure to quinmerac exposure to quinmerac An exposure to prochloraz. exposure to prochloraz exposure to prochloraz An exposure to propiconazole. exposure to propiconazole exposure to propiconazole An exposure to propranolol. exposure to propranolol exposure to propranolol An exposure to flumequine. exposure to flumequine exposure to flumequine An exposure to heptachlorobiphenyl. exposure to heptachlorobiphenyl exposure to heptachlorobiphenyl An exposure to pyrimethanil. exposure to pyrimethanil exposure to pyrimethanil An exposure to acid red 4. exposure to acid red 4 exposure to acid red 4 An exposure to (R)-(+)-propranolol. exposure to (R)-(+)-propranolol exposure to (R)-(+)-propranolol An exposure to (R)-salbutamol. exposure to (R)-salbutamol exposure to (R)-salbutamol An exposure to ranitidine. exposure to ranitidine exposure to ranitidine An exposure to brilliant green. exposure to brilliant green exposure to brilliant green An exposure to brilliant green cation. exposure to brilliant green cation exposure to brilliant green cation An exposure to Sirius red 4B. exposure to Sirius red 4B exposure to Sirius red 4B An exposure to rimsulfuron. exposure to rimsulfuron exposure to rimsulfuron An exposure to perfluorododecanoic acid. exposure to perfluorododecanoic acid exposure to perfluorododecanoic acid An exposure to spironolactone. exposure to spironolactone exposure to spironolactone An exposure to spiroxamine. exposure to spiroxamine exposure to spiroxamine An exposure to sulfadiazine. exposure to sulfadiazine exposure to sulfadiazine An exposure to sulfamethoxazole. exposure to sulfamethoxazole exposure to sulfamethoxazole An exposure to sulfathiazole. exposure to sulfathiazole exposure to sulfathiazole An exposure to 2,6-dichlorobenzonitrile. exposure to 2,6-dichlorobenzonitrile exposure to 2,6-dichlorobenzonitrile An exposure to telmisartan. exposure to telmisartan exposure to telmisartan An exposure to tramadol. exposure to tramadol exposure to tramadol An exposure to trichlopyr. exposure to trichlopyr exposure to trichlopyr An exposure to trimipramine. exposure to trimipramine exposure to trimipramine An exposure to valsartan. exposure to valsartan exposure to valsartan An exposure to venlafaxine. exposure to venlafaxine exposure to venlafaxine obsolete verapamil exposure true An exposure to phthalate ester. exposure to phthalate ester exposure to phthalate ester An exposure to Heptachlor epoxide. exposure to Heptachlor epoxide exposure to Heptachlor epoxide An exposure to antimony(0). exposure to antimony(0) exposure to metallic antimony An exposure to elemental thallium. exposure to elemental thallium exposure to elemental thallium obsolete uranium molecular entity exposure true An exposure to fluorene. exposure to fluorene exposure to fluorene An exposure to 1,1,1-trichloroethane. exposure to 1,1,1-trichloroethane exposure to 1,1,1-trichloroethane An exposure to 1,1,2,2-tetrachloroethane. exposure to 1,1,2,2-tetrachloroethane exposure to 1,1,2,2-tetrachloroethane An exposure to 1,1,2-trichloroethane. exposure to 1,1,2-trichloroethane exposure to 1,1,2-trichloroethane An exposure to 1,1-Dichloroethane. exposure to 1,1-Dichloroethane exposure to 1,1-Dichloroethane An exposure to 1,1-dichloroethene. exposure to 1,1-dichloroethene exposure to 1,1-dichloroethene An exposure to 1,2-Dibromo-3-chloropropane. exposure to 1,2-Dibromo-3-chloropropane exposure to 1,2-Dibromo-3-chloropropane An exposure to 1,2-dichlorobenzene. exposure to 1,2-dichlorobenzene exposure to 1,2-dichlorobenzene An exposure to cis-1,2-dichloroethene. exposure to cis-1,2-dichloroethene exposure to cis-1,2-dichloroethene An exposure to trans-1,2-dichloroethene. exposure to trans-1,2-dichloroethene exposure to trans-1,2-dichloroethene An exposure to rac-1,2-dichloropropane. exposure to rac-1,2-dichloropropane exposure to 1,2-Dichloropropane An exposure to 2,5-dimethylfuran. exposure to 2,5-dimethylfuran exposure to 2,5-Dimethylfuran An exposure to dibromomethane. exposure to dibromomethane exposure to dibromomethane An exposure to hexachloroethane. exposure to hexachloroethane exposure to hexachloroethane An exposure to 2,2',4,4'-Tetrabromodiphenyl ether. exposure to 2,2',4,4'-Tetrabromodiphenyl ether exposure to 2,2',4,4'-Tetrabromodiphenyl ether An exposure to 2,4-dibromophenyl 2,4,5-tribromophenyl ether. exposure to 2,4-dibromophenyl 2,4,5-tribromophenyl ether exposure to 2,2',4,4',5-Pentabromodiphenyl ether An exposure to 2,2',4,4',5,5'-Hexabromodiphenyl ether. exposure to 2,2',4,4',5,5'-Hexabromodiphenyl ether exposure to 2,2',4,4',5,5'-Hexabromodiphenyl ether An exposure to 2,2',4,4',5,6'-Hexabromodiphenyl ether. exposure to 2,2',4,4',5,6'-Hexabromodiphenyl ether exposure to 2,2',4,4',5,6'-Hexabromodiphenyl ether An exposure to 2,2',3,4,4',5',6-Heptabromodiphenyl ether. exposure to 2,2',3,4,4',5',6-Heptabromodiphenyl ether exposure to 2,2',3,4,4',5',6-Heptabromodiphenyl ether An exposure to paraben. exposure to paraben exposure to paraben An exposure to perchlorate. exposure to perchlorate exposure to perchlorate An exposure to daidzein. exposure to daidzein exposure to daidzein An exposure to Enterodiol. exposure to Enterodiol exposure to Enterodiol An exposure to Enterolactone. exposure to Enterolactone exposure to Enterolactone An exposure to equol. exposure to equol exposure to equol An exposure to O-Desmethylangolensin. exposure to O-Desmethylangolensin exposure to O-Desmethylangolensin An exposure to Arsenobetaine. exposure to Arsenobetaine exposure to Arsenobetaine An exposure to dimethylarsinic acid. exposure to dimethylarsinic acid exposure to dimethylarsinic acid An exposure to antimony molecular entity. exposure to antimony molecular entity exposure to antimony An exposure to barium molecular entity. exposure to barium molecular entity exposure to barium An exposure to beryllium molecular entity. exposure to beryllium molecular entity exposure to beryllium An exposure to cobalt molecular entity. exposure to cobalt molecular entity exposure to cobalt An exposure to copper molecular entity. exposure to copper molecular entity exposure to copper An exposure to lead molecular entity. exposure to lead molecular entity exposure to lead An exposure to manganese molecular entity. exposure to manganese molecular entity exposure to manganese An exposure to molybdenum molecular entity. exposure to molybdenum molecular entity exposure to molybdenum An exposure to platinum molecular entity. exposure to platinum molecular entity exposure to platinum An exposure to selenium molecular entity. exposure to selenium molecular entity exposure to selenium An exposure to strontium molecular entity. exposure to strontium molecular entity exposure to strontium An exposure to tin molecular entity. exposure to tin molecular entity exposure to tin An exposure to tungsten molecular entity. exposure to tungsten molecular entity exposure to tungsten An exposure to zinc molecular entity. exposure to zinc molecular entity exposure to zinc An exposure to methylparaben. exposure to methylparaben exposure to methylparaben An exposure to methylarsonic acid. exposure to methylarsonic acid exposure to methylarsonic acid An exposure to abamectin. exposure to abamectin exposure to abamectin An exposure to acephate. exposure to acephate exposure to acephate An exposure to acetaldehyde. exposure to acetaldehyde exposure to acetaldehyde An exposure to acetamide. exposure to acetamide exposure to acetamide An exposure to acetonitrile. exposure to acetonitrile exposure to acetonitrile An exposure to acetophenone. exposure to acetophenone exposure to acetophenone An exposure to 2-acetamidofluorene. exposure to 2-acetamidofluorene exposure to 2-acetamidofluorene An exposure to acrolein. exposure to acrolein exposure to acrolein An exposure to acrylic acid. exposure to acrylic acid exposure to acrylic acid An exposure to acrylonitrile. exposure to acrylonitrile exposure to acrylonitrile An exposure to aldicarb. exposure to aldicarb exposure to aldicarb An exposure to (+)-trans-allethrin. exposure to (+)-trans-allethrin exposure to (+)-trans-allethrin An exposure to allyl alcohol. exposure to allyl alcohol exposure to allyl alcohol An exposure to Allyl chloride. exposure to Allyl chloride exposure to Allyl chloride An exposure to aluminium(0). exposure to aluminium(0) exposure to aluminium metal An exposure to aluminium phosphide. exposure to aluminium phosphide exposure to aluminium phosphide An exposure to aluminium oxide. exposure to aluminium oxide exposure to aluminium oxide An exposure to 2-Aminoanthraquinone. exposure to 2-Aminoanthraquinone exposure to 2-Aminoanthraquinone An exposure to 4-(phenylazo)aniline. exposure to 4-(phenylazo)aniline exposure to 4-(phenylazo)aniline An exposure to biphenyl-4-amine. exposure to biphenyl-4-amine exposure to biphenyl-4-amine An exposure to 1-Amino-2-methylanthraquinone. exposure to 1-Amino-2-methylanthraquinone exposure to 1-Amino-2-methylanthraquinone An exposure to 1-Amino-2,4-dibromoanthraquinone. exposure to 1-Amino-2,4-dibromoanthraquinone exposure to 1-Amino-2,4-dibromoanthraquinone An exposure to anilazine. exposure to anilazine exposure to anilazine An exposure to aniline. exposure to aniline exposure to aniline An exposure to o-anisidine. exposure to o-anisidine exposure to ortho-Anisidine An exposure to anthracene. exposure to anthracene exposure to anthracene An exposure to bendiocarb. exposure to bendiocarb exposure to bendiocarb An exposure to Benzal chloride. exposure to Benzal chloride exposure to Benzal chloride An exposure to benzamide. exposure to benzamide exposure to benzamide An exposure to benzidine. exposure to benzidine exposure to benzidine An exposure to (trichloromethyl)benzene. exposure to (trichloromethyl)benzene exposure to Benzotrichloride An exposure to benzoyl chloride. exposure to benzoyl chloride exposure to Benzoyl chloride An exposure to Benzoyl peroxide. exposure to Benzoyl peroxide exposure to Benzoyl peroxide An exposure to benzyl chloride. exposure to benzyl chloride exposure to benzyl chloride An exposure to bifenthrin. exposure to bifenthrin exposure to bifenthrin An exposure to bis(chloromethyl) ether. exposure to bis(chloromethyl) ether exposure to Bis(chloromethyl) ether An exposure to Bis(2-chloro-1-methylethyl)ether. exposure to Bis(2-chloro-1-methylethyl)ether exposure to Bis(2-chloro-1-methylethyl)ether An exposure to tributylstannane. exposure to tributylstannane exposure to tributylstannane An exposure to boron trifluoride. exposure to boron trifluoride exposure to boron trifluoride An exposure to bromochlorodifluoromethane. exposure to bromochlorodifluoromethane exposure to bromochlorodifluoromethane An exposure to bromoform. exposure to bromoform exposure to bromoform obsolete bromomethane exposure true An exposure to brucine. exposure to brucine exposure to Brucine An exposure to buta-1,3-diene. exposure to buta-1,3-diene exposure to buta-1,3-diene An exposure to butyl acrylate. exposure to butyl acrylate exposure to butyl acrylate An exposure to butan-2-ol. exposure to butan-2-ol exposure to butan-2-ol An exposure to tert-butanol. exposure to tert-butanol exposure to tert-butanol An exposure to butanal. exposure to butanal exposure to butanal An exposure to calcium cyanamide. exposure to calcium cyanamide exposure to calcium cyanamide An exposure to captan. exposure to captan exposure to captan An exposure to carbaryl. exposure to carbaryl exposure to carbaryl An exposure to carbofuran. exposure to carbofuran exposure to carbofuran An exposure to carbon disulfide. exposure to carbon disulfide exposure to carbon disulfide An exposure to carbonyl sulfide. exposure to carbonyl sulfide exposure to carbonyl sulfide An exposure to carboxin. exposure to carboxin exposure to carboxin An exposure to catechol. exposure to catechol exposure to catechol An exposure to quinomethionate. exposure to quinomethionate exposure to quinomethionate An exposure to Chloramben. exposure to Chloramben exposure to Chloramben An exposure to chlorendic acid. exposure to chlorendic acid exposure to chlorendic acid An exposure to chlorimuron-ethyl. exposure to chlorimuron-ethyl exposure to chlorimuron-ethyl obsolete exposure to chlorine atom true An exposure to chlorine dioxide. exposure to chlorine dioxide exposure to chlorine dioxide An exposure to quaternium-15. exposure to quaternium-15 exposure to quaternium-15 An exposure to 4-chloroaniline. exposure to 4-chloroaniline exposure to 4-chloroaniline An exposure to Chlorobenzilate. exposure to Chlorobenzilate exposure to Chlorobenzilate An exposure to Chlorodifluoromethane. exposure to Chlorodifluoromethane exposure to Chlorodifluoromethane An exposure to chloromethane. exposure to chloromethane exposure to chloromethane An exposure to Chloromethyl methyl ether. exposure to Chloromethyl methyl ether exposure to Chloromethyl methyl ether An exposure to chloropicrin. exposure to chloropicrin exposure to chloropicrin An exposure to chlorothalonil. exposure to chlorothalonil exposure to chlorothalonil obsolete chromium molecular entity exposure true An exposure to Guinea Green B. exposure to Guinea Green B exposure to Guinea Green B An exposure to Sudan II. exposure to Sudan II exposure to Sudan II An exposure to ortho-Aminoazotoluene. exposure to ortho-Aminoazotoluene exposure to ortho-Aminoazotoluene An exposure to Sudan I. exposure to Sudan I exposure to Sudan I An exposure to auramine O free base. exposure to auramine O free base exposure to auramine O free base An exposure to Vat Yellow 4. exposure to Vat Yellow 4 exposure to Vat Yellow 4 obsolete exposure to cobalt atom true An exposure to para-Cresidine. exposure to para-Cresidine exposure to para-Cresidine An exposure to m-cresol. exposure to m-cresol exposure to m-cresol An exposure to o-cresol. exposure to o-cresol exposure to o-cresol An exposure to p-cresol. exposure to p-cresol exposure to p-cresol An exposure to cresol. exposure to cresol exposure to cresol An exposure to crotonaldehyde. exposure to crotonaldehyde exposure to crotonaldehyde An exposure to Cycloate. exposure to Cycloate exposure to Cycloate An exposure to cyclohexane. exposure to cyclohexane exposure to cyclohexane An exposure to cyclohexanol. exposure to cyclohexanol exposure to cyclohexanol obsolete cyfluthrin exposure true An exposure to cyhalothrin. exposure to cyhalothrin exposure to cyhalothrin An exposure to (2,4-dichlorophenoxy)acetate. exposure to (2,4-dichlorophenoxy)acetate exposure to (2,4-dichlorophenoxy)acetate An exposure to dazomet. exposure to dazomet exposure to dazomet An exposure to 2,4-DB. exposure to 2,4-DB exposure to 2,4-DB An exposure to decabromodiphenyl ether. exposure to decabromodiphenyl ether exposure to decabromodiphenyl ether An exposure to 2,4-Diaminoanisole. exposure to 2,4-Diaminoanisole exposure to 2,4-Diaminoanisole An exposure to 2,4-diaminotoluene. exposure to 2,4-diaminotoluene exposure to 2,4-diaminotoluene An exposure to diazomethane. exposure to diazomethane exposure to diazomethane An exposure to dibenzofuran. exposure to dibenzofuran exposure to dibenzofuran An exposure to 2,6-dichloro-4-nitroaniline. exposure to 2,6-dichloro-4-nitroaniline exposure to 2,6-dichloro-4-nitroaniline An exposure to 1,3-dichlorobenzene. exposure to 1,3-dichlorobenzene exposure to 1,3-dichlorobenzene An exposure to 1,4-dichlorobenzene. exposure to 1,4-dichlorobenzene exposure to 1,4-dichlorobenzene An exposure to 3,3'-Dichlorobenzidine. exposure to 3,3'-Dichlorobenzidine exposure to 3,3'-Dichlorobenzidine An exposure to trans-1,4-Dichlorobutene. exposure to trans-1,4-Dichlorobutene exposure to trans-1,4-Dichlorobutene An exposure to 1,2-dichloroethene. exposure to 1,2-dichloroethene exposure to 1,2-dichloroethene An exposure to 4-chlorophenol. exposure to 4-chlorophenol exposure to 4-chlorophenol An exposure to 2,4-dichlorophenol. exposure to 2,4-dichlorophenol exposure to 2,4-dichlorophenol An exposure to (E)-1,3-dichloropropene. exposure to (E)-1,3-dichloropropene exposure to (E)-1,3-dichloropropene An exposure to dichlorvos. exposure to dichlorvos exposure to dichlorvos An exposure to diclofop-methyl. exposure to diclofop-methyl exposure to Diclofop methyl An exposure to dicofol. exposure to dicofol exposure to dicofol An exposure to Dicyclopentadiene. exposure to Dicyclopentadiene exposure to Dicyclopentadiene An exposure to diepoxybutane. exposure to diepoxybutane exposure to diepoxybutane An exposure to diethanolamine. exposure to diethanolamine exposure to diethanolamine An exposure to diethyl sulfate. exposure to diethyl sulfate exposure to diethyl sulfate An exposure to diflubenzuron. exposure to diflubenzuron exposure to diflubenzuron An exposure to Diglycidyl resorcinol ether. exposure to Diglycidyl resorcinol ether exposure to Diglycidyl resorcinol ether An exposure to Dihydrosafrole. exposure to Dihydrosafrole exposure to Dihydrosafrole An exposure to Dimethipin. exposure to Dimethipin exposure to Dimethipin An exposure to 3,3'-Dimethoxybenzidine. exposure to 3,3'-Dimethoxybenzidine exposure to 3,3'-Dimethoxybenzidine An exposure to dimethylamine. exposure to dimethylamine exposure to dimethylamine An exposure to N,N-dimethylaniline. exposure to N,N-dimethylaniline exposure to N,N-dimethylaniline An exposure to 3,3'-Dimethylbenzidine. exposure to 3,3'-Dimethylbenzidine exposure to 3,3'-Dimethylbenzidine An exposure to N,N-dimethylformamide. exposure to N,N-dimethylformamide exposure to N,N-dimethylformamide An exposure to 2,4-xylenol. exposure to 2,4-xylenol exposure to 2,4-Dimethylphenol An exposure to Dimethyl phthalate. exposure to Dimethyl phthalate exposure to Dimethyl phthalate An exposure to dimethyl sulfate. exposure to dimethyl sulfate exposure to dimethyl sulfate An exposure to 1,3-dinitrobenzene. exposure to 1,3-dinitrobenzene exposure to 1,3-dinitrobenzene An exposure to 1,2-dinitrobenzene. exposure to 1,2-dinitrobenzene exposure to 1,2-dinitrobenzene An exposure to 1,4-dinitrobenzene. exposure to 1,4-dinitrobenzene exposure to 1,4-dinitrobenzene An exposure to 4,6-dinitro-o-cresol. exposure to 4,6-dinitro-o-cresol exposure to 4,6-dinitro-o-cresol An exposure to 2,4-dinitrophenol. exposure to 2,4-dinitrophenol exposure to 2,4-dinitrophenol An exposure to 2,4-dinitrotoluene. exposure to 2,4-dinitrotoluene exposure to 2,4-dinitrotoluene An exposure to 2,6-dinitrotoluene. exposure to 2,6-dinitrotoluene exposure to 2,6-dinitrotoluene An exposure to dinitrotoluene. exposure to dinitrotoluene exposure to dinitrotoluene An exposure to dinocap. exposure to dinocap exposure to dinocap An exposure to 1,4-dioxane. exposure to 1,4-dioxane exposure to 1,4-dioxane An exposure to Diphenamid. exposure to Diphenamid exposure to Diphenamid An exposure to diphenylamine. exposure to diphenylamine exposure to diphenylamine An exposure to phenylhydrazine. exposure to phenylhydrazine exposure to phenylhydrazine An exposure to 1-dodecylguanidine. exposure to 1-dodecylguanidine exposure to 1-dodecylguanidine obsolete epichlorohydrin exposure true An exposure to ethoprophos. exposure to ethoprophos exposure to ethoprophos An exposure to Ethyl acrylate. exposure to Ethyl acrylate exposure to Ethyl acrylate An exposure to EPTC. exposure to EPTC exposure to EPTC An exposure to ethylene glycol. exposure to ethylene glycol exposure to ethylene glycol An exposure to aziridine. exposure to aziridine exposure to aziridine An exposure to oxirane. exposure to oxirane exposure to oxirane An exposure to famphur. exposure to famphur exposure to famphur An exposure to fenarimol. exposure to fenarimol exposure to fenarimol An exposure to fenbutatin oxide. exposure to fenbutatin oxide exposure to fenbutatin oxide An exposure to Fenoxaprop ethyl. exposure to Fenoxaprop ethyl exposure to Fenoxaprop ethyl An exposure to fenpropathrin. exposure to fenpropathrin exposure to fenpropathrin An exposure to fenthion. exposure to fenthion exposure to fenthion An exposure to fenvalerate. exposure to fenvalerate exposure to fenvalerate An exposure to ferbam. exposure to ferbam exposure to ferbam An exposure to fluazifop-butyl. exposure to fluazifop-butyl exposure to Fluazifop butyl An exposure to fluometuron. exposure to fluometuron exposure to Fluometuron An exposure to fluorine molecular entity. exposure to fluorine molecular entity exposure to fluorine An exposure to fluvalinate. exposure to fluvalinate exposure to fluvalinate An exposure to folpet. exposure to folpet exposure to folpet An exposure to fomesafen. exposure to fomesafen exposure to Fomesafen An exposure to furan. exposure to furan exposure to furan An exposure to glycidol. exposure to glycidol exposure to glycidol An exposure to Hexachloro-1,3-butadiene. exposure to Hexachloro-1,3-butadiene exposure to Hexachloro-1,3-butadiene An exposure to hexachlorophene. exposure to hexachlorophene exposure to hexachlorophene An exposure to hexamethylphosphoric triamide. exposure to hexamethylphosphoric triamide exposure to hexamethylphosphoric triamide An exposure to Hexazinone. exposure to Hexazinone exposure to Hexazinone An exposure to hydramethylnon. exposure to hydramethylnon exposure to hydramethylnon An exposure to hydrazine. exposure to hydrazine exposure to hydrazine An exposure to hydrogen cyanide. exposure to hydrogen cyanide exposure to hydrogen cyanide An exposure to hydrogen fluoride. exposure to hydrogen fluoride exposure to hydrogen fluoride An exposure to hydroquinone. exposure to hydroquinone exposure to hydroquinone An exposure to enilconazole. exposure to enilconazole exposure to enilconazole An exposure to pentacarbonyliron. exposure to pentacarbonyliron exposure to pentacarbonyliron An exposure to isobutyraldehyde. exposure to isobutyraldehyde exposure to isobutyraldehyde An exposure to Isodrin. exposure to Isodrin exposure to Isodrin An exposure to isoprene. exposure to isoprene exposure to isoprene obsolete propan-2-ol exposure true An exposure to Isosafrole. exposure to Isosafrole exposure to Isosafrole An exposure to trifluoromethyl group. exposure to trifluoromethyl group exposure to trifluoromethyl group An exposure to lithium carbonate. exposure to lithium carbonate exposure to lithium carbonate An exposure to malathion. exposure to malathion exposure to malathion An exposure to maleic anhydride. exposure to maleic anhydride exposure to maleic anhydride An exposure to malononitrile. exposure to malononitrile exposure to malononitrile An exposure to maneb. exposure to maneb exposure to maneb An exposure to elemental manganese. exposure to elemental manganese exposure to elemental manganese An exposure to 1,3-benzothiazole-2-thiol. exposure to 1,3-benzothiazole-2-thiol exposure to 1,3-benzothiazole-2-thiol An exposure to Methazole. exposure to Methazole exposure to Methazole An exposure to methoxychlor. exposure to methoxychlor exposure to methoxychlor An exposure to Methyl acrylate. exposure to Methyl acrylate exposure to Methyl acrylate obsolete methyl tert-butyl ether exposure true An exposure to 4,4'-diaminodiphenylmethane. exposure to 4,4'-diaminodiphenylmethane exposure to 4,4'-diaminodiphenylmethane An exposure to O-methyleugenol. exposure to O-methyleugenol exposure to O-methyleugenol An exposure to iodomethane. exposure to iodomethane exposure to iodomethane An exposure to Methyl isobutyl ketone. exposure to Methyl isobutyl ketone exposure to Methyl isobutyl ketone An exposure to methyl isocyanate. exposure to methyl isocyanate exposure to methyl isocyanate An exposure to methyl isothiocyanate. exposure to methyl isothiocyanate exposure to methyl isothiocyanate An exposure to 2-hydroxy-2-methylpropanenitrile. exposure to 2-hydroxy-2-methylpropanenitrile exposure to 2-hydroxy-2-methylpropanenitrile An exposure to methyl methacrylate. exposure to methyl methacrylate exposure to methyl methacrylate An exposure to N-Methylolacrylamide. exposure to N-Methylolacrylamide exposure to N-Methylolacrylamide An exposure to 2-methylpyridine. exposure to 2-methylpyridine exposure to 2-methylpyridine An exposure to metiram. exposure to metiram exposure to metiram An exposure to mevinphos. exposure to mevinphos exposure to mevinphos An exposure to molinate. exposure to molinate exposure to Molinate An exposure to molybdenum trioxide. exposure to molybdenum trioxide exposure to molybdenum trioxide An exposure to bis(2-chloroethyl) sulfide. exposure to bis(2-chloroethyl) sulfide exposure to bis(2-chloroethyl) sulfide An exposure to nabam. exposure to nabam exposure to nabam An exposure to naled. exposure to naled exposure to naled An exposure to 1-naphthylamine. exposure to 1-naphthylamine exposure to 1-naphthylamine An exposure to 2-naphthylamine. exposure to 2-naphthylamine exposure to 2-naphthylamine An exposure to nitrapyrin. exposure to nitrapyrin exposure to Nitrapyrin An exposure to nitrilotriacetic acid. exposure to nitrilotriacetic acid exposure to nitrilotriacetic acid An exposure to 4-nitroaniline. exposure to 4-nitroaniline exposure to 4-nitroaniline An exposure to 2-nitroanisole. exposure to 2-nitroanisole exposure to 2-nitroanisole An exposure to 2-methoxy-5-nitroaniline. exposure to 2-methoxy-5-nitroaniline exposure to 2-methoxy-5-nitroaniline An exposure to 4-Nitrobiphenyl. exposure to 4-Nitrobiphenyl exposure to 4-Nitrobiphenyl An exposure to nitrofen. exposure to nitrofen exposure to Nitrofen An exposure to 2-chloroethyl group. exposure to 2-chloroethyl group exposure to 2-chloroethyl group An exposure to nitromethane. exposure to nitromethane exposure to nitromethane An exposure to 2-nitrophenol. exposure to 2-nitrophenol exposure to 2-nitrophenol An exposure to 4-nitrophenol. exposure to 4-nitrophenol exposure to 4-nitrophenol An exposure to 2-nitropropane. exposure to 2-nitropropane exposure to 2-nitropropane An exposure to N-Nitrosodi-n-butylamine. exposure to N-Nitrosodi-n-butylamine exposure to N-Nitrosodi-n-butylamine An exposure to N-nitrosodiethylamine. exposure to N-nitrosodiethylamine exposure to N-nitrosodiethylamine An exposure to N-nitrosodimethylamine. exposure to N-nitrosodimethylamine exposure to N-nitrosodimethylamine An exposure to N-Nitrosodiphenylamine. exposure to N-Nitrosodiphenylamine exposure to N-Nitrosodiphenylamine An exposure to N-Nitrosodi-n-propylamine. exposure to N-Nitrosodi-n-propylamine exposure to N-Nitrosodi-n-propylamine An exposure to N-methyl-N-nitrosourea. exposure to N-methyl-N-nitrosourea exposure to N-methyl-N-nitrosourea An exposure to N-Nitrosomethylvinylamine. exposure to N-Nitrosomethylvinylamine exposure to N-Nitrosomethylvinylamine An exposure to N-nitrosomorpholine. exposure to N-nitrosomorpholine exposure to N-nitrosomorpholine An exposure to 5-nitro-o-toluidine. exposure to 5-nitro-o-toluidine exposure to 5-nitro-o-toluidine An exposure to norflurazon. exposure to norflurazon exposure to norflurazon An exposure to Octachlorostyrene. exposure to Octachlorostyrene exposure to Octachlorostyrene An exposure to oryzalin. exposure to oryzalin exposure to oryzalin An exposure to osmium tetroxide. exposure to osmium tetroxide exposure to osmium tetroxide An exposure to oxydemeton-methyl. exposure to oxydemeton-methyl exposure to oxydemeton-methyl An exposure to Oxyfluorfen. exposure to Oxyfluorfen exposure to Oxyfluorfen An exposure to paraldehyde. exposure to paraldehyde exposure to paraldehyde An exposure to paraquat dichloride. exposure to paraquat dichloride exposure to paraquat dichloride An exposure to p-nitrophenyl group. exposure to p-nitrophenyl group exposure to p-nitrophenyl group An exposure to Pebulate. exposure to Pebulate exposure to Pebulate An exposure to pentan-3-yl group. exposure to pentan-3-yl group exposure to pentan-3-yl group An exposure to pentachloroethane. exposure to pentachloroethane exposure to pentachloroethane An exposure to pentachlorophenol. exposure to pentachlorophenol exposure to pentachlorophenol An exposure to Pentobarbital sodium. exposure to Pentobarbital sodium exposure to Pentobarbital sodium An exposure to permethrin. exposure to permethrin exposure to permethrin obsolete phenol exposure true An exposure to phenolphthalein. exposure to phenolphthalein exposure to phenolphthalein An exposure to phenothrin. exposure to phenothrin exposure to phenothrin An exposure to 1,2-phenylenediamine. exposure to 1,2-phenylenediamine exposure to 1,2-phenylenediamine An exposure to 1,3-phenylenediamine. exposure to 1,3-phenylenediamine exposure to 1,3-phenylenediamine An exposure to 1,4-phenylenediamine. exposure to 1,4-phenylenediamine exposure to 1,4-phenylenediamine An exposure to phenytoin. exposure to phenytoin exposure to phenytoin obsolete phosgene exposure true An exposure to phosphine. exposure to phosphine exposure to phosphine An exposure to phosphorus molecular entity. exposure to phosphorus molecular entity exposure to phosphorus An exposure to phthalic anhydride. exposure to phthalic anhydride exposure to phthalic anhydride An exposure to picloram. exposure to picloram exposure to Picloram An exposure to picric acid. exposure to picric acid exposure to picric acid An exposure to piperonyl butoxide. exposure to piperonyl butoxide exposure to piperonyl butoxide An exposure to potassium bromate. exposure to potassium bromate exposure to potassium bromate An exposure to profenofos. exposure to profenofos exposure to profenofos An exposure to isopropyl group. exposure to isopropyl group exposure to isopropyl group An exposure to propyzamide. exposure to propyzamide exposure to Pronamide An exposure to propargite. exposure to propargite exposure to propargite An exposure to prop-2-yn-1-ol. exposure to prop-2-yn-1-ol exposure to prop-2-yn-1-ol An exposure to propetamphos. exposure to propetamphos exposure to propetamphos An exposure to beta-propiolactone. exposure to beta-propiolactone exposure to beta-propiolactone An exposure to propanal. exposure to propanal exposure to propanal An exposure to propoxur. exposure to propoxur exposure to propoxur An exposure to propene. exposure to propene exposure to propene An exposure to 2-Methylaziridine. exposure to 2-Methylaziridine exposure to 2-Methylaziridine An exposure to 1,2-epoxypropane. exposure to 1,2-epoxypropane exposure to 1,2-epoxypropane An exposure to quinoline. exposure to quinoline exposure to quinoline An exposure to quinone. exposure to quinone exposure to quinone An exposure to pentachloronitrobenzene. exposure to pentachloronitrobenzene exposure to pentachloronitrobenzene An exposure to quizalofop-ethyl. exposure to quizalofop-ethyl exposure to Quizalofop-ethyl An exposure to resmethrin. exposure to resmethrin exposure to resmethrin An exposure to safrole. exposure to safrole exposure to safrole An exposure to Sethoxydim. exposure to Sethoxydim exposure to Sethoxydim An exposure to elemental silver. exposure to elemental silver exposure to elemental silver An exposure to sodium azide. exposure to sodium azide exposure to sodium azide An exposure to sodium fluoroacetate. exposure to sodium fluoroacetate exposure to sodium fluoroacetate An exposure to sodium nitrite. exposure to sodium nitrite exposure to sodium nitrite An exposure to styrene oxide. exposure to styrene oxide exposure to styrene oxide An exposure to sulfuryl difluoride. exposure to sulfuryl difluoride exposure to sulfuryl difluoride An exposure to sulprofos. exposure to sulprofos exposure to sulprofos An exposure to tert-butyl group. exposure to tert-butyl group exposure to tert-butyl group An exposure to temephos. exposure to temephos exposure to temephos An exposure to Terbacil. exposure to Terbacil exposure to Terbacil An exposure to 3,3',5,5'-tetrabromobisphenol A. exposure to 3,3',5,5'-tetrabromobisphenol A exposure to 3,3',5,5'-tetrabromobisphenol A An exposure to 1,1,1,2-tetrachloroethane. exposure to 1,1,1,2-tetrachloroethane exposure to 1,1,1,2-tetrachloroethane An exposure to tetrachlorvinphos. exposure to tetrachlorvinphos exposure to tetrachlorvinphos An exposure to Tetracycline hydrochloride. exposure to Tetracycline hydrochloride exposure to Tetracycline hydrochloride An exposure to tetrafluoroethene. exposure to tetrafluoroethene exposure to tetrafluoroethene An exposure to Tetranitromethane. exposure to Tetranitromethane exposure to Tetranitromethane An exposure to tetramethrin. exposure to tetramethrin exposure to tetramethrin An exposure to thioacetamide. exposure to thioacetamide exposure to thioacetamide An exposure to Thiobencarb. exposure to Thiobencarb exposure to Thiobencarb An exposure to 4,4'-Thiodianiline. exposure to 4,4'-Thiodianiline exposure to 4,4'-Thiodianiline An exposure to thiodicarb. exposure to thiodicarb exposure to thiodicarb An exposure to thiourea. exposure to thiourea exposure to thiourea An exposure to thiram. exposure to thiram exposure to thiram An exposure to thorium dioxide. exposure to thorium dioxide exposure to thorium dioxide An exposure to o-toluidine. exposure to o-toluidine exposure to o-toluidine An exposure to triadimefon. exposure to triadimefon exposure to triadimefon An exposure to Tri-allate. exposure to Tri-allate exposure to Tri-allate An exposure to triaziquone. exposure to triaziquone exposure to triaziquone An exposure to tribenuron methyl. exposure to tribenuron methyl exposure to tribenuron methyl An exposure to tribufos. exposure to tribufos exposure to tribufos An exposure to trichlorfon. exposure to trichlorfon exposure to trichlorfon An exposure to 1,2,4-trichlorobenzene. exposure to 1,2,4-trichlorobenzene exposure to 1,2,4-trichlorobenzene An exposure to 2,4,5-trichlorophenol. exposure to 2,4,5-trichlorophenol exposure to 2,4,5-trichlorophenol An exposure to 2,4,6-trichlorophenol. exposure to 2,4,6-trichlorophenol exposure to 2,4,6-trichlorophenol An exposure to 1,2,3-Trichloropropane. exposure to 1,2,3-Trichloropropane exposure to 1,2,3-Trichloropropane An exposure to triethylamine. exposure to triethylamine exposure to triethylamine An exposure to triforine. exposure to triforine exposure to triforine An exposure to 1,2,4-trimethylbenzene. exposure to 1,2,4-trimethylbenzene exposure to 1,2,4-trimethylbenzene An exposure to 2,3,5-trimethylphenyl methylcarbamate. exposure to 2,3,5-trimethylphenyl methylcarbamate exposure to 2,3,5-trimethylphenyl methylcarbamate An exposure to fentin chloride. exposure to fentin chloride exposure to fentin chloride An exposure to fentin hydroxide. exposure to fentin hydroxide exposure to fentin hydroxide An exposure to Tris(2,3-dibromopropyl) phosphate. exposure to Tris(2,3-dibromopropyl) phosphate exposure to Tris(2,3-dibromopropyl) phosphate An exposure to trypan blue. exposure to trypan blue exposure to trypan blue An exposure to vanadium molecular entity. exposure to vanadium molecular entity exposure to vanadium An exposure to vinclozolin. exposure to vinclozolin exposure to vinclozolin An exposure to vinyl acetate. exposure to vinyl acetate exposure to vinyl acetate An exposure to bromoethene. exposure to bromoethene exposure to bromoethene An exposure to chloroethene. exposure to chloroethene exposure to vinyl chloride exposure to chloroethene An exposure to fluoroethene. exposure to fluoroethene exposure to fluoroethene An exposure to m-xylene. exposure to m-xylene exposure to m-xylene An exposure to 2,6-dimethylaniline. exposure to 2,6-dimethylaniline exposure to 2,6-dimethylaniline An exposure to elemental zinc. exposure to elemental zinc exposure to elemental zinc An exposure to zineb. exposure to zineb exposure to zineb An exposure to chlorophenol. exposure to chlorophenol exposure to chlorophenol An exposure to diisocyanate. exposure to diisocyanate exposure to diisocyanate obsolete nickel molecular entity exposure true An exposure to silver molecular entity. exposure to silver molecular entity exposure to silver An exposure to thallium molecular entity. exposure to thallium molecular entity exposure to thallium An exposure to elemental boron. exposure to elemental boron exposure to elemental boron An exposure to L-lysine. exposure to L-lysine exposure to L-lysine An exposure to benzo[a]pyrene. exposure to benzo[a]pyrene exposure to benzo[a]pyrene An exposure to 1,6-Dinitropyrene. exposure to 1,6-Dinitropyrene exposure to 1,6-Dinitropyrene An exposure to 1,8-Dinitropyrene. exposure to 1,8-Dinitropyrene exposure to 1,8-Dinitropyrene An exposure to 5-Methylchrysene. exposure to 5-Methylchrysene exposure to 5-Methylchrysene An exposure to 6-Nitrochrysene. exposure to 6-Nitrochrysene exposure to 6-Nitrochrysene An exposure to 1-nitropyrene. exposure to 1-nitropyrene exposure to 1-nitropyrene An exposure to 4-Nitropyrene. exposure to 4-Nitropyrene exposure to 4-Nitropyrene An exposure to 3,3'-Dimethoxybenzidine-4,4'-diisocyanate. exposure to 3,3'-Dimethoxybenzidine-4,4'-diisocyanate exposure to 3,3'-Dimethoxybenzidine-4,4'-diisocyanate An exposure to hexamethylene diisocyanate. exposure to hexamethylene diisocyanate exposure to hexamethylene diisocyanate An exposure to isophorone diisocyanate. exposure to isophorone diisocyanate exposure to isophorone diisocyanate An exposure to 1,5-Naphthalene diisocyanate. exposure to 1,5-Naphthalene diisocyanate exposure to 1,5-Naphthalene diisocyanate An exposure to 1,2,3,4,7,8-Hexachlorodibenzodioxin. exposure to 1,2,3,4,7,8-Hexachlorodibenzodioxin exposure to 1,2,3,4,7,8-Hexachlorodibenzodioxin An exposure to 1,2,3,6,7,8-Hexachlorodibenzodioxin. exposure to 1,2,3,6,7,8-Hexachlorodibenzodioxin exposure to 1,2,3,6,7,8-Hexachlorodibenzodioxin An exposure to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin. exposure to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin exposure to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin An exposure to 2,3,7,8-Tetrachlorodibenzofuran. exposure to 2,3,7,8-Tetrachlorodibenzofuran exposure to 2,3,7,8-Tetrachlorodibenzofuran An exposure to 1,2,3,4,6,7,8-Heptachlorodibenzofuran. exposure to 1,2,3,4,6,7,8-Heptachlorodibenzofuran exposure to 1,2,3,4,6,7,8-Heptachlorodibenzofuran An exposure to squalene. exposure to squalene exposure to squalene An exposure to inulin. exposure to inulin exposure to inulin An exposure to primary alcohol. exposure to primary alcohol exposure to primary alcohol An exposure to lycopene. exposure to lycopene exposure to lycopene An exposure to quercetin. exposure to quercetin exposure to quercetin An exposure to 1H-pyrazole. exposure to 1H-pyrazole exposure to 1H-pyrazole An exposure to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine. exposure to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine exposure to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine An exposure to polysaccharide. exposure to polysaccharide exposure to polysaccharide An exposure to N-methyl-N'-nitro-N-nitrosoguanidine. exposure to N-methyl-N'-nitro-N-nitrosoguanidine exposure to N-methyl-N'-nitro-N-nitrosoguanidine An exposure to alpha-tocopherol. exposure to alpha-tocopherol exposure to alpha-tocopherol An exposure to N-ethyl-N-nitrosourea. exposure to N-ethyl-N-nitrosourea exposure to N-ethyl-N-nitrosourea An exposure to 7,12-dimethyltetraphene. exposure to 7,12-dimethyltetraphene exposure to 7,12-dimethyltetraphene An exposure to alendronic acid. exposure to alendronic acid exposure to alendronic acid An exposure to phosphate. exposure to phosphate exposure to phosphate An exposure to retinoid. exposure to retinoid exposure to retinoid An exposure to sodium chloride. exposure to sodium chloride exposure to sodium chloride An exposure to ceftriaxone. exposure to ceftriaxone exposure to ceftriaxone An exposure to sodium nitroprusside. exposure to sodium nitroprusside exposure to sodium nitroprusside An exposure to potassium chloride. exposure to potassium chloride exposure to potassium chloride An exposure to technetium-99. exposure to technetium-99 exposure to technetium-99 An exposure to captopril. exposure to captopril exposure to captopril An exposure to phenols. exposure to phenols exposure to phenols An exposure to carrageenan. exposure to carrageenan exposure to carrageenan An exposure to 4-octylphenol. exposure to 4-octylphenol exposure to 4-octylphenol An exposure to pentolinium ion. exposure to pentolinium ion exposure to pentolinium ion An exposure to ruthenium red. exposure to ruthenium red exposure to ruthenium red An exposure to sulfonamide. exposure to sulfonamide exposure to sulfonamide An exposure to benfotiamine. exposure to benfotiamine exposure to benfotiamine An exposure to diethylstilbestrol. exposure to diethylstilbestrol exposure to diethylstilbestrol An exposure to acepromazine. exposure to acepromazine exposure to acepromazine An exposure to dihydrocapsaicin. exposure to dihydrocapsaicin exposure to dihydrocapsaicin An exposure to 5-bromo-2'-deoxyuridine. exposure to 5-bromo-2'-deoxyuridine exposure to 5-bromo-2'-deoxyuridine An exposure to 4-methyl-2-oxopentanoic acid. exposure to 4-methyl-2-oxopentanoic acid exposure to 4-methyl-2-oxopentanoic acid An exposure to angiotensin II. exposure to angiotensin II exposure to angiotensin II An exposure to lithium chloride. exposure to lithium chloride exposure to lithium chloride An exposure to naringenin. exposure to naringenin exposure to naringenin An exposure to titanium dioxide nanoparticle. exposure to titanium dioxide nanoparticle exposure to titanium dioxide nanoparticle An exposure to pristane. exposure to pristane exposure to pristane An exposure to glyburide. exposure to glyburide exposure to glyburide An exposure to pentolinium tartrate. exposure to pentolinium tartrate exposure to pentolinium tartrate An exposure to guanethidine. exposure to guanethidine exposure to guanethidine An exposure to isotretinoin. exposure to isotretinoin exposure to isotretinoin An exposure to isoprenaline. exposure to isoprenaline exposure to isoprenaline An exposure to losartan. exposure to losartan exposure to losartan An exposure to methacholine. exposure to methacholine exposure to methacholine An exposure to methylene blue. exposure to methylene blue exposure to methylene blue An exposure to 1,2-dimethylhydrazine. exposure to 1,2-dimethylhydrazine exposure to 1,2-dimethylhydrazine An exposure to chrysin. exposure to chrysin exposure to chrysin An exposure to 3-methyl-4'-dimethylaminoazobenzene. exposure to 3-methyl-4'-dimethylaminoazobenzene exposure to 3-methyl-4'-dimethylaminoazobenzene An exposure to oxidopamine. exposure to oxidopamine exposure to oxidopamine An exposure to phenylephrine. exposure to phenylephrine exposure to phenylephrine An exposure to streptozocin. exposure to streptozocin exposure to streptozocin An exposure to trimethaphan camsylate. exposure to trimethaphan camsylate exposure to trimethaphan camsylate An exposure to heroin. exposure to heroin exposure to heroin obsolete triclosan exposure true An exposure to organotin compound. exposure to organotin compound exposure to organotin compound An exposure to organotin acaricide. exposure to organotin acaricide exposure to organotin acaricide An exposure to acetic anhydride. exposure to acetic anhydride exposure to acetic anhydride An exposure to acetylene. exposure to acetylene exposure to acetylene obsolete acetylsalicylic acid exposure true An exposure to ammonium chloride. exposure to ammonium chloride exposure to ammonium chloride An exposure to arsane. exposure to arsane exposure to arsane An exposure to thiophenol. exposure to thiophenol exposure to thiophenol An exposure to diboron trioxide. exposure to diboron trioxide exposure to diboron trioxide An exposure to butane. exposure to butane exposure to butane An exposure to butan-2-one. exposure to butan-2-one exposure to butan-2-one An exposure to butyl acetate. exposure to butyl acetate exposure to butyl acetate An exposure to butan-1-amine. exposure to butan-1-amine exposure to butan-1-amine An exposure to butyronitrile. exposure to butyronitrile exposure to butyronitrile An exposure to calcium carbonate. exposure to calcium carbonate exposure to calcium carbonate An exposure to calcium dihydroxide. exposure to calcium dihydroxide exposure to calcium dihydroxide An exposure to calcium sulfate. exposure to calcium sulfate exposure to calcium sulfate An exposure to camphor. exposure to camphor exposure to camphor An exposure to epsilon-caprolactam. exposure to epsilon-caprolactam exposure to epsilon-caprolactam An exposure to captafol. exposure to captafol exposure to captafol An exposure to tetrabromomethane. exposure to tetrabromomethane exposure to tetrabromomethane An exposure to caesium hydroxide. exposure to caesium hydroxide exposure to caesium hydroxide An exposure to dioxidochlorine(.). exposure to dioxidochlorine(.) exposure to dioxidochlorine(.) An exposure to trifluorochlorine. exposure to trifluorochlorine exposure to trifluorochlorine An exposure to bromochloromethane. exposure to bromochloromethane exposure to bromochloromethane An exposure to chromic acid. exposure to chromic acid exposure to chromic acid An exposure to dichromium trioxide. exposure to dichromium trioxide exposure to dichromium trioxide An exposure to chromyl dichloride. exposure to chromyl dichloride exposure to chromyl dichloride An exposure to cumene. exposure to cumene exposure to cumene An exposure to cyanamide. exposure to cyanamide exposure to cyanamide An exposure to oxalonitrile. exposure to oxalonitrile exposure to oxalonitrile An exposure to cyclohexanone. exposure to cyclohexanone exposure to cyclohexanone An exposure to cyclohexene. exposure to cyclohexene exposure to cyclohexene An exposure to cyclohexylamine. exposure to cyclohexylamine exposure to cyclohexylamine An exposure to 1,3,5-trinitro-1,3,5-triazinane. exposure to 1,3,5-trinitro-1,3,5-triazinane exposure to 1,3,5-trinitro-1,3,5-triazinane An exposure to cyclopentadiene. exposure to cyclopentadiene exposure to cyclopentadiene An exposure to cyclopentane. exposure to cyclopentane exposure to cyclopentane An exposure to diacetone alcohol. exposure to diacetone alcohol exposure to diacetone alcohol An exposure to diborane(6). exposure to diborane(6) exposure to diborane(6) An exposure to ferrocene. exposure to ferrocene exposure to ferrocene An exposure to dieldrin. exposure to dieldrin exposure to dieldrin An exposure to 2-diethylaminoethanol. exposure to 2-diethylaminoethanol exposure to 2-diethylaminoethanol An exposure to diethylenetriamine. exposure to diethylenetriamine exposure to diethylenetriamine An exposure to diethyl phthalate. exposure to diethyl phthalate exposure to diethyl phthalate An exposure to disulfiram. exposure to disulfiram exposure to disulfiram An exposure to disulfoton. exposure to disulfoton exposure to disulfoton An exposure to 2,6-di-tert-butyl-4-methylphenol. exposure to 2,6-di-tert-butyl-4-methylphenol exposure to 2,6-di-tert-butyl-4-methylphenol An exposure to enflurane. exposure to enflurane exposure to enflurane An exposure to ethanolamine. exposure to ethanolamine exposure to ethanolamine An exposure to ethyl acetate. exposure to ethyl acetate exposure to ethyl acetate An exposure to ethylamine. exposure to ethylamine exposure to ethylamine An exposure to 2-chloroethanol. exposure to 2-chloroethanol exposure to 2-chloroethanol An exposure to ethylenediamine. exposure to ethylenediamine exposure to ethylenediamine An exposure to diethyl ether. exposure to diethyl ether exposure to diethyl ether An exposure to ethyl formate. exposure to ethyl formate exposure to ethyl formate An exposure to fenamiphos. exposure to fenamiphos exposure to fenamiphos An exposure to formimidic acid. exposure to formimidic acid exposure to formimidic acid An exposure to furfuryl alcohol. exposure to furfuryl alcohol exposure to furfuryl alcohol An exposure to germane. exposure to germane exposure to germane An exposure to alditol. exposure to alditol exposure to alditol An exposure to halothane. exposure to halothane exposure to halothane An exposure to hexafluoroacetone. exposure to hexafluoroacetone exposure to hexafluoroacetone An exposure to hydrogen bromide. exposure to hydrogen bromide exposure to hydrogen bromide An exposure to 1H-indene. exposure to 1H-indene exposure to 1H-indene An exposure to iodoform. exposure to iodoform exposure to iodoform An exposure to ferric oxide. exposure to ferric oxide exposure to ferric oxide An exposure to iron(2+) sulfate (anhydrous). exposure to iron(2+) sulfate (anhydrous) exposure to iron(2+) sulfate (anhydrous) An exposure to isoamyl acetate. exposure to isoamyl acetate exposure to isoamyl acetate An exposure to isoamylol. exposure to isoamylol exposure to isoamylol An exposure to isobutane. exposure to isobutane exposure to isobutane An exposure to isobutyl acetate. exposure to isobutyl acetate exposure to isobutyl acetate An exposure to isopropylamine. exposure to isopropylamine exposure to isopropylamine An exposure to magnesium oxide. exposure to magnesium oxide exposure to magnesium oxide An exposure to malonaldehyde. exposure to malonaldehyde exposure to malonaldehyde An exposure to methoxyflurane. exposure to methoxyflurane exposure to methoxyflurane An exposure to methyl acetate. exposure to methyl acetate exposure to methyl acetate An exposure to dimethoxymethane. exposure to dimethoxymethane exposure to dimethoxymethane An exposure to heptan-2-one. exposure to heptan-2-one exposure to heptan-2-one An exposure to methyl formate. exposure to methyl formate exposure to methyl formate An exposure to methanethiol. exposure to methanethiol exposure to methanethiol An exposure to monocrotophos. exposure to monocrotophos exposure to monocrotophos An exposure to morpholine. exposure to morpholine exposure to morpholine An exposure to tetracarbonylnickel. exposure to tetracarbonylnickel exposure to tetracarbonylnickel An exposure to nitroethane. exposure to nitroethane exposure to nitroethane An exposure to nitrogen trifluoride. exposure to nitrogen trifluoride exposure to nitrogen trifluoride An exposure to 3-nitrotoluene. exposure to 3-nitrotoluene exposure to 3-nitrotoluene An exposure to octane. exposure to octane exposure to octane An exposure to oxalic acid. exposure to oxalic acid exposure to oxalic acid An exposure to oxygen difluoride. exposure to oxygen difluoride exposure to oxygen difluoride An exposure to parathion. exposure to parathion exposure to parathion An exposure to pentane. exposure to pentane exposure to pentane An exposure to pentan-2-one. exposure to pentan-2-one exposure to pentan-2-one An exposure to 10H-phenothiazine. exposure to 10H-phenothiazine exposure to 10H-phenothiazine An exposure to phorate. exposure to phorate exposure to phorate An exposure to phosphane. exposure to phosphane exposure to phosphane An exposure to phosphoryl trichloride. exposure to phosphoryl trichloride exposure to phosphoryl trichloride An exposure to phosphorus trichloride. exposure to phosphorus trichloride exposure to phosphorus trichloride An exposure to propane. exposure to propane exposure to propane An exposure to propane-1-thiol. exposure to propane-1-thiol exposure to propane-1-thiol An exposure to propionic acid. exposure to propionic acid exposure to propionic acid An exposure to propionitrile. exposure to propionitrile exposure to propionitrile An exposure to resorcinol. exposure to resorcinol exposure to resorcinol An exposure to silicon carbide. exposure to silicon carbide exposure to silicon carbide An exposure to silane. exposure to silane exposure to silane An exposure to trisodium hexafluoroaluminate. exposure to trisodium hexafluoroaluminate exposure to trisodium hexafluoroaluminate An exposure to stibane. exposure to stibane exposure to stibane An exposure to sulfur hexafluoride. exposure to sulfur hexafluoride exposure to sulfur hexafluoride An exposure to sulfur tetrafluoride. exposure to sulfur tetrafluoride exposure to sulfur tetrafluoride An exposure to (2,4,5-trichlorophenoxy)acetic acid. exposure to (2,4,5-trichlorophenoxy)acetic acid exposure to (2,4,5-trichlorophenoxy)acetic acid An exposure to 1,4-diphenylbenzene. exposure to 1,4-diphenylbenzene exposure to 1,4-diphenylbenzene An exposure to tetraethyllead. exposure to tetraethyllead exposure to tetraethyllead An exposure to oxolane. exposure to oxolane exposure to oxolane An exposure to thioglycolic acid. exposure to thioglycolic acid exposure to thioglycolic acid An exposure to thionyl chloride. exposure to thionyl chloride exposure to thionyl dichloride An exposure to tin dioxide. exposure to tin dioxide exposure to tin dioxide An exposure to titanium dioxide. exposure to titanium dioxide exposure to titanium dioxide An exposure to tributyl phosphate. exposure to tributyl phosphate exposure to tributyl phosphate An exposure to trimethylamine. exposure to trimethylamine exposure to trimethylamine An exposure to 1,2,3-trimethylbenzene. exposure to 1,2,3-trimethylbenzene exposure to 1,2,3-trimethylbenzene An exposure to 1,3,5-trimethylbenzene. exposure to 1,3,5-trimethylbenzene exposure to 1,3,5-trimethylbenzene An exposure to triphenyl phosphate. exposure to triphenyl phosphate exposure to triphenyl phosphate An exposure to divanadium pentaoxide. exposure to divanadium pentaoxide exposure to divanadium pentaoxide An exposure to 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one. exposure to 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one exposure to 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one An exposure to zinc dichloride. exposure to zinc dichloride exposure to zinc dichloride An exposure to zinc oxide. exposure to zinc oxide exposure to zinc oxide An exposure to azinphos-methyl. exposure to azinphos-methyl exposure to azinphos-methyl An exposure to fentanyl. exposure to fentanyl exposure to fentanyl An exposure to sarin. exposure to sarin exposure to sarin An exposure to strychnine. exposure to strychnine exposure to strychnine An exposure to Ricin. exposure to Ricin exposure to Ricin An exposure to bis(2-ethylhexyl) phthalate. exposure to bis(2-ethylhexyl) phthalate exposure to bis(2-ethylhexyl) phthalate An exposure to 1,1-dimethylhydrazine. exposure to 1,1-dimethylhydrazine exposure to 1,1-dimethylhydrazine An exposure to 1,3-dichloropropene. exposure to 1,3-dichloropropene exposure to 1,3-dichloropropene An exposure to sodium hydrogensulfite. exposure to sodium hydrogensulfite exposure to sodium hydrogensulfite An exposure to sodium fluoride. exposure to sodium fluoride exposure to sodium fluoride An exposure to mechlorethamine. exposure to mechlorethamine exposure to mechlorethamine An exposure to copper(2+). exposure to copper(2+) exposure to copper(2+) obsolete toluene 2,4-diisocyanate exposure true An exposure to organochlorine insecticide. exposure to organochlorine insecticide exposure to organochlorine insecticide An exposure to organochlorine pesticide. exposure to organochlorine pesticide exposure to organochlorine pesticide An exposure to 1,4-dioxine. exposure to 1,4-dioxine exposure to 1,4 dioxin An exposure to polychlorinated dibenzodioxines and related compounds. exposure to polychlorinated dibenzodioxines and related compounds exposure to polychlorinated dibenzodioxines and related compounds An exposure to polybromobiphenyl. exposure to PBB exposure to polybrominated biphenyl exposure to polybromobiphenyl exposure to polybromobiphenyl An exposure to polychlorinated dibenzofuran. exposure to polychlorinated dibenzofuran exposure to polychlorinated dibenzofuran An exposure to disodium 5'-guanylate. exposure to disodium 5'-guanylate exposure to disodium 5'-guanylate An exposure to phenylureas. exposure to phenylureas exposure to phenylureas An exposure to chlorofluorocarbon. exposure to chlorofluorocarbon exposure to chlorofluorocarbon An exposure to ethylparaben. exposure to ethylparaben exposure to ethylparaben An exposure to propylparaben. exposure to propylparaben exposure to propylparaben An exposure to hafnium atom. exposure to hafnium atom exposure to hafnium atom An exposure to Ammonium sulfamate. exposure to Ammonium sulfamate exposure to Ammonium sulfamate An exposure to pentyl acetate. exposure to pentyl acetate exposure to pentyl acetate An exposure to ANTU. exposure to ANTU exposure to ANTU An exposure to barium chloride. exposure to barium chloride exposure to barium chloride An exposure to calcium oxide. exposure to calcium oxide exposure to calcium oxide An exposure to chloroacetaldehyde. exposure to chloroacetaldehyde exposure to chloroacetaldehyde An exposure to Chloroacetyl chloride. exposure to Chloroacetyl chloride exposure to Chloroacetyl chloride An exposure to copper(II) oxide. exposure to copper(II) oxide exposure to copper(II) oxide An exposure to Crufomate. exposure to Crufomate exposure to Crufomate An exposure to Dichloroacetylene. exposure to Dichloroacetylene exposure to Dichloroacetylene An exposure to Bis(2-chloroethyl)ether. exposure to Bis(2-chloroethyl)ether exposure to Bis(2-chloroethyl)ether An exposure to Dalapon. exposure to Dalapon exposure to Dalapon An exposure to dicrotophos. exposure to dicrotophos exposure to dicrotophos An exposure to diethylamine. exposure to diethylamine exposure to diethylamine An exposure to pentan-3-one. exposure to pentan-3-one exposure to pentan-3-one An exposure to 2-Methyl-4-heptanone. exposure to 2-Methyl-4-heptanone exposure to 2-Methyl-4-heptanone An exposure to N,N-dimethylacetamide. exposure to N,N-dimethylacetamide exposure to N,N-dimethylacetamide An exposure to Dimethylcarbamoyl chloride. exposure to Dimethylcarbamoyl chloride exposure to Dimethylcarbamoyl chloride An exposure to Dioxation. exposure to Dioxation exposure to Dioxation An exposure to 4-heptanone. exposure to 4-heptanone exposure to 4-Heptanone An exposure to diquat. exposure to diquat exposure to diquat An exposure to EPN. exposure to EPN exposure to EPN An exposure to heptan-3-one. exposure to heptan-3-one exposure to heptan-3-one An exposure to Ethylenethiourea. exposure to Ethylenethiourea exposure to Ethylenethiourea An exposure to fensulfothion. exposure to fensulfothion exposure to fensulfothion An exposure to fonofos. exposure to fonofos exposure to fonofos An exposure to formamide. exposure to formamide exposure to formamide An exposure to glutaraldehyde. exposure to glutaraldehyde exposure to glutaraldehyde An exposure to glycerol. exposure to glycerol exposure to glycerol An exposure to 2-methylpentane-2,4-diol. exposure to 2-methylpentane-2,4-diol exposure to 2-methylpentane-2,4-diol An exposure to selane. exposure to selane exposure to selane An exposure to elemental indium. exposure to elemental indium exposure to elemental indium An exposure to 3-methyl-2-butanol. exposure to 3-methyl-2-butanol exposure to 3-methyl-2-butanol An exposure to isophorone. exposure to isophorone exposure to isophorone An exposure to 4-Methyl-3-penten-2-one, 9CI. exposure to 4-Methyl-3-penten-2-one, 9CI exposure to 4-Methyl-3-penten-2-one, 9CI An exposure to methacrylic acid. exposure to methacrylic acid exposure to methacrylic acid An exposure to p-methoxyphenol. exposure to p-methoxyphenol exposure to p-methoxyphenol An exposure to 4,4'-methylene-bis-(2-chloroaniline). exposure to 4,4'-methylene-bis-(2-chloroaniline) exposure to 4,4'-methylene-bis-(2-chloroaniline) An exposure to dicyclohexylmethane-4,4'-diisocyanate. exposure to dicyclohexylmethane-4,4'-diisocyanate exposure to dicyclohexylmethane-4,4'-diisocyanate An exposure to 5-methyl-2-hexanone. exposure to 5-methyl-2-hexanone exposure to 5-Methyl-2-hexanone An exposure to alpha-Methylstyrene. exposure to alpha-Methylstyrene exposure to alpha-Methylstyrene An exposure to N-methylaniline. exposure to N-methylaniline exposure to N-methylaniline An exposure to 4-Chloronitrobenzene. exposure to 4-Chloronitrobenzene exposure to 4-Chloronitrobenzene An exposure to 2-nitronaphthalene. exposure to 2-nitronaphthalene exposure to 2-nitronaphthalene An exposure to 1-nitropropane. exposure to 1-nitropropane exposure to 1-nitropropane An exposure to 4-nitrotoluene. exposure to 4-nitrotoluene exposure to 4-nitrotoluene An exposure to Phenyl glycidyl ether. exposure to Phenyl glycidyl ether exposure to Phenyl glycidyl ether An exposure to N-Phenyl-2-naphthylamine. exposure to N-Phenyl-2-naphthylamine exposure to N-Phenyl-2-naphthylamine An exposure to phosphorus pentachloride. exposure to phosphorus pentachloride exposure to phosphorus pentachloride An exposure to isophthalonitrile. exposure to isophthalonitrile exposure to isophthalonitrile An exposure to Pindone. exposure to Pindone exposure to Pindone An exposure to 1,3-Propane sultone. exposure to 1,3-Propane sultone exposure to 1,3-Propane sultone An exposure to propyl acetate. exposure to propyl acetate exposure to propyl acetate An exposure to rhodium atom. exposure to rhodium atom exposure to rhodium An exposure to Fenchlorphos. exposure to Fenchlorphos exposure to Fenchlorphos An exposure to selenium hexafluoride. exposure to selenium hexafluoride exposure to selenium hexafluoride An exposure to tantalum atom. exposure to tantalum atom exposure to tantalum An exposure to sulfotep. exposure to sulfotep exposure to sulfotep An exposure to tellurium hexafluoride. exposure to tellurium hexafluoride exposure to tellurium hexafluoride An exposure to TEPP. exposure to TEPP exposure to TEPP An exposure to tetramethyllead. exposure to tetramethyllead exposure to tetramethyllead An exposure to sodium diphosphate. exposure to sodium diphosphate exposure to sodium diphosphate An exposure to N-methyl-N-picrylnitramine. exposure to N-methyl-N-picrylnitramine exposure to N-methyl-N-picrylnitramine An exposure to p-toluidine. exposure to p-toluidine exposure to p-toluidine An exposure to trichloroacetic acid. exposure to trichloroacetic acid exposure to trichloroacetic acid An exposure to 2,4,6-trinitrotoluene. exposure to 2,4,6-trinitrotoluene exposure to 2,4,6-trinitrotoluene An exposure to pentanal. exposure to pentanal exposure to pentanal An exposure to 4-vinylcyclohexene dioxide. exposure to 4-vinylcyclohexene dioxide exposure to 4-vinylcyclohexene dioxide An exposure to Vinylidene fluoride. exposure to Vinylidene fluoride exposure to Vinylidene fluoride An exposure to zirconium atom. exposure to zirconium atom exposure to zirconium An exposure to Soman. exposure to Soman exposure to Soman An exposure to polybromodiphenyl ether. exposure to polybromodiphenyl ether exposure to polybromodiphenyl ether An exposure to perfluorinated compound. exposure to perfluorinated compound exposure to perfluorinated compound An exposure to volatile organic compound. exposure to volatile organic compound exposure to volatile organic compound An exposure to perfluorobutanesulfonic acid. exposure to perfluorobutanesulfonic acid exposure to perfluorobutanesulfonic acid An exposure to perfluorohexanesulfonic acid. exposure to perfluorohexanesulfonic acid exposure to perfluorohexanesulfonic acid An exposure to arsenocholine. exposure to arsenocholine exposure to arsenocholine An exposure to polychlorinated dibenzodioxine. exposure to polychlorinated dibenzodioxine exposure to polychlorinated dibenzodioxine An exposure to 1,3-dichloropropane. exposure to 1,3-dichloropropane exposure to 1,3-dichloropropane An exposure to inorganic acid. exposure to inorganic acid exposure to inorganic acid An exposure to gas molecular entity. exposure to gas molecular entity exposure to gas molecular entity An exposure to 2-bromophenyl 2,4-dibromophenyl ether. exposure to 2-bromophenyl 2,4-dibromophenyl ether exposure to 2-bromophenyl 2,4-dibromophenyl ether An exposure to endocrine disruptor. exposure to endocrine disruptor exposure to endocrine disruptor An exposure to metalloid atom. exposure to metalloid atom exposure to metalloid An exposure to 4-bromophenyl 2,4-dibromophenyl ether. exposure to 4-bromophenyl 2,4-dibromophenyl ether exposure to 4-bromophenyl 2,4-dibromophenyl ether An exposure to 2,4-dibromophenyl 3,4-dibromophenyl ether. exposure to 2,4-dibromophenyl 3,4-dibromophenyl ether exposure to 2,4-dibromophenyl 3,4-dibromophenyl ether An exposure to 2,4-dibromophenyl 2,3,4-tribromophenyl ether. exposure to 2,4-dibromophenyl 2,3,4-tribromophenyl ether exposure to 2,4-dibromophenyl 2,3,4-tribromophenyl ether An exposure to 2,4-dibromophenyl 2,4,6-tribromophenyl ether. exposure to 2,4-dibromophenyl 2,4,6-tribromophenyl ether exposure to 2,4-dibromophenyl 2,4,6-tribromophenyl ether An exposure to 2,2',4,4',5,5'-hexabromobiphenyl. exposure to 2,2',4,4',5,5'-hexabromobiphenyl exposure to 2,2',4,4',5,5'-hexabromobiphenyl An exposure to perfluorooctanesulfonamide. exposure to perfluorooctanesulfonamide exposure to perfluorooctanesulfonamide An exposure to trimethylarsine oxide. exposure to trimethylarsine oxide exposure to trimethylarsine oxide An exposure to EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. exposure to EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor exposure to EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor An exposure to electron donor. exposure to electron donor exposure to electron donor An exposure to electron acceptor. exposure to electron acceptor exposure to electron acceptor An exposure to EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor. exposure to EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor exposure to EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor obsolete vitamin C exposure true An exposure to acaricide. exposure to acaricide exposure to acaricide An exposure to EC 2.2.1.6 (acetolactate synthase) inhibitor. exposure to EC 2.2.1.6 (acetolactate synthase) inhibitor exposure to EC 2.2.1.6 (acetolactate synthase) inhibitor An exposure to antioxidant. exposure to antioxidant exposure to antioxidant An exposure to antiviral agent. exposure to antiviral agent exposure to antiviral agent An exposure to auxin. exposure to auxin exposure to auxin An exposure to phytogenic insecticide. exposure to phytogenic insecticide exposure to phytogenic insecticide An exposure to calcium ionophore. exposure to calcium ionophore exposure to calcium ionophore An exposure to EC 4.2.1.1 (carbonic anhydrase) inhibitor. exposure to EC 4.2.1.1 (carbonic anhydrase) inhibitor exposure to EC 4.2.1.1 (carbonic anhydrase) inhibitor An exposure to chromophore. exposure to chromophore exposure to chromophore An exposure to coenzyme. exposure to coenzyme exposure to coenzyme An exposure to cofactor. exposure to cofactor exposure to cofactor An exposure to compatible osmolytes. exposure to compatible osmolytes exposure to compatible osmolytes An exposure to cytokinin. exposure to cytokinin exposure to cytokinin An exposure to defoliant. exposure to defoliant exposure to defoliant An exposure to ethylene releasers. exposure to ethylene releasers exposure to ethylene releasers An exposure to fat-soluble vitamin (role). exposure to fat-soluble vitamin (role) exposure to fat-soluble vitamin An exposure to iron(3+) chelator. exposure to iron(3+) chelator exposure to iron(3+) chelator An exposure to EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor. exposure to EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor exposure to EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor An exposure to intercalator. exposure to intercalator exposure to intercalator An exposure to ionophore. exposure to ionophore exposure to ionophore An exposure to jasmonates. exposure to jasmonates exposure to jasmonates An exposure to nematicide. exposure to nematicide exposure to nematicide An exposure to neonicotinoid insectide. exposure to neonicotinoid insectide exposure to neonicotinoid insectide An exposure to nucleoside antibiotic. exposure to nucleoside antibiotic exposure to nucleoside antibiotic An exposure to osmolyte. exposure to osmolyte exposure to osmolyte An exposure to pheromone. exposure to pheromone exposure to pheromone An exposure to phytoalexin. exposure to phytoalexin exposure to phytoalexin An exposure to biological pigment. exposure to biological pigment exposure to biological pigment An exposure to prosthetic group. exposure to prosthetic group exposure to prosthetic group An exposure to siderophore. exposure to siderophore exposure to siderophore An exposure to synthetic auxin. exposure to synthetic auxin exposure to synthetic auxin An exposure to micronutrient. exposure to micronutrient exposure to micronutrient An exposure to volatile oil component. exposure to volatile oil component exposure to volatile oil component An exposure to water-soluble vitamin (role). exposure to water-soluble vitamin (role) exposure to water-soluble vitamin An exposure to detergent. exposure to detergent exposure to detergent An exposure to vitamin (role). exposure to vitamin (role) exposure to vitamin An exposure to antibacterial agent. exposure to antibacterial agent exposure to antibacterial agent An exposure to nutrient. exposure to nutrient exposure to nutrient An exposure to agrochemical. exposure to agrochemical exposure to agrochemical An exposure to avicide. exposure to avicide exposure to avicide An exposure to fuel. exposure to fuel exposure to fuel An exposure to diagnostic agent. exposure to diagnostic agent exposure to diagnostic agent An exposure to reagent. exposure to reagent exposure to reagent An exposure to macronutrient. exposure to macronutrient exposure to macronutrient An exposure to tracer. exposure to tracer exposure to tracer An exposure to plant growth retardant. exposure to plant growth retardant exposure to plant growth retardant An exposure to antimetabolite. exposure to antimetabolite exposure to antimetabolite An exposure to catalyst. exposure to catalyst exposure to catalyst An exposure to effector. exposure to effector exposure to effector An exposure to fossil fuel. exposure to fossil fuel exposure to fossil fuel An exposure to central nervous system stimulant. exposure to central nervous system stimulant exposure to central nervous system stimulant An exposure to antiinfective agent. exposure to antiinfective agent exposure to antiinfective agent An exposure to antiparasitic agent. exposure to antiparasitic agent exposure to antiparasitic agent An exposure to anthelminthic drug. exposure to anthelminthic drug exposure to anthelminthic drug An exposure to antinematodal drug. exposure to antinematodal drug exposure to antinematodal drug An exposure to EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. exposure to EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor exposure to EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor An exposure to antidepressant. exposure to antidepressant exposure to antidepressant An exposure to psychotropic drug. exposure to psychotropic drug exposure to psychotropic drug An exposure to anti-inflammatory drug. exposure to anti-inflammatory drug exposure to anti-inflammatory drug An exposure to anxiolytic drug. exposure to anxiolytic drug exposure to anxiolytic drug An exposure to non-steroidal anti-inflammatory drug. exposure to non-steroidal anti-inflammatory drug exposure to non-steroidal anti-inflammatory drug An exposure to antipsychotic agent. exposure to antipsychotic agent exposure to antipsychotic agent An exposure to analgesic. exposure to analgesic exposure to analgesic An exposure to non-narcotic analgesic. exposure to non-narcotic analgesic exposure to non-narcotic analgesic An exposure to opioid analgesic. exposure to opioid analgesic exposure to opioid analgesic An exposure to EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. exposure to EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor exposure to EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor An exposure to central nervous system depressant. exposure to central nervous system depressant exposure to central nervous system depressant An exposure to antipyretic. exposure to antipyretic exposure to antipyretic An exposure to diuretic. exposure to diuretic exposure to diuretic An exposure to hallucinogen. exposure to hallucinogen exposure to hallucinogen An exposure to beta-adrenergic agonist. exposure to beta-adrenergic agonist exposure to beta-adrenergic agonist An exposure to bronchodilator agent. exposure to bronchodilator agent exposure to bronchodilator agent An exposure to sympathomimetic agent. exposure to sympathomimetic agent exposure to sympathomimetic agent An exposure to hypoglycemic agent. exposure to hypoglycemic agent exposure to hypoglycemic agent An exposure to beta-adrenergic antagonist. exposure to beta-adrenergic antagonist exposure to beta-adrenergic antagonist An exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor An exposure to EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor. exposure to EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor exposure to EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor An exposure to antineoplastic agent. exposure to antineoplastic agent exposure to antineoplastic agent An exposure to flavouring agent. exposure to flavouring agent exposure to flavouring agent An exposure to anticonvulsant. exposure to anticonvulsant exposure to anticonvulsant An exposure to EC 3.5.2.6 (beta-lactamase) inhibitor. exposure to EC 3.5.2.6 (beta-lactamase) inhibitor exposure to EC 3.5.2.6 (beta-lactamase) inhibitor An exposure to adrenergic uptake inhibitor. exposure to adrenergic uptake inhibitor exposure to adrenergic uptake inhibitor An exposure to EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor. exposure to EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor exposure to hydroxymethylglutaryl-CoA reductase inhibitor An exposure to antihypertensive agent. exposure to antihypertensive agent exposure to antihypertensive agent An exposure to antilipemic drug. exposure to antilipemic drug exposure to antilipemic drug An exposure to xenobiotic. exposure to xenobiotic exposure to xenobiotic An exposure to immunosuppressive agent. exposure to immunosuppressive agent exposure to immunosuppressive agent An exposure to sedative. exposure to sedative exposure to sedative An exposure to antifungal agent. exposure to antifungal agent exposure to antifungal agent An exposure to coccidiostat. exposure to coccidiostat exposure to coccidiostat An exposure to antiprotozoal drug. exposure to antiprotozoal drug exposure to antiprotozoal drug An exposure to anticholesteremic drug. exposure to anticholesteremic drug exposure to anticholesteremic drug An exposure to antirheumatic drug. exposure to antirheumatic drug exposure to antirheumatic drug An exposure to lipoxygenase inhibitor. exposure to lipoxygenase inhibitor exposure to lipoxygenase inhibitor An exposure to antimicrobial drug. exposure to antimicrobial drug exposure to antimicrobial drug An exposure to antiviral drug. exposure to antiviral drug exposure to antiviral drug An exposure to antibacterial drug. exposure to antibacterial drug exposure to antibacterial drug An exposure to oxytocic. exposure to oxytocic exposure to oxytocic An exposure to local anaesthetic. exposure to local anaesthetic exposure to local anaesthetic An exposure to trypanocidal drug. exposure to trypanocidal drug exposure to trypanocidal drug An exposure to EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor. exposure to EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor exposure to EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor An exposure to MRI contrast agent. exposure to MRI contrast agent exposure to MRI contrast agent An exposure to protein kinase inhibitor. exposure to protein kinase inhibitor exposure to protein kinase inhibitor An exposure to EC 2.7.11.13 (protein kinase C) inhibitor. exposure to EC 2.7.11.13 (protein kinase C) inhibitor exposure to EC 2.7.11.13 (protein kinase C) inhibitor An exposure to EC 3.1.1.8 (cholinesterase) inhibitor. exposure to EC 3.1.1.8 (cholinesterase) inhibitor exposure to EC 3.1.1.8 (cholinesterase) inhibitor An exposure to plant hormone. exposure to plant hormone exposure to plant hormone An exposure to adrenergic antagonist. exposure to adrenergic antagonist exposure to adrenergic antagonist An exposure to alpha-adrenergic antagonist. exposure to alpha-adrenergic antagonist exposure to alpha-adrenergic antagonist An exposure to phenothiazine antipsychotic drug. exposure to phenothiazine antipsychotic drug exposure to phenothiazine antipsychotic drug An exposure to H1-receptor antagonist. exposure to H1-receptor antagonist exposure to H1-receptor antagonist An exposure to histamine antagonist. exposure to histamine antagonist exposure to histamine antagonist obsolete exposure to dye true An exposure to adrenergic agent. exposure to adrenergic agent exposure to adrenergic agent An exposure to triazine insecticide. exposure to triazine insecticide exposure to triazine insecticide An exposure to antimalarial. exposure to antimalarial exposure to antimalarial An exposure to anti-arrhythmia drug. exposure to anti-arrhythmia drug exposure to anti-arrhythmia drug An exposure to cardiotonic drug. exposure to cardiotonic drug exposure to cardiotonic drug An exposure to phytosiderophore. exposure to phytosiderophore exposure to phytosiderophore An exposure to iron chelator. exposure to iron chelator exposure to iron chelator An exposure to chelator. exposure to chelator exposure to chelator An exposure to calcium channel blocker. exposure to calcium channel blocker exposure to calcium channel blocker An exposure to phytotoxin. exposure to phytotoxin exposure to phytotoxin An exposure to muscarinic agonist. exposure to muscarinic agonist exposure to muscarinic agonist An exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor. exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor An exposure to mitochondrial NADH:ubiquinone reductase inhibitor. exposure to mitochondrial NADH:ubiquinone reductase inhibitor exposure to mitochondrial NADH:ubiquinone reductase inhibitor An exposure to sodium channel blocker. exposure to sodium channel blocker exposure to sodium channel blocker An exposure to tyrosine kinase inhibitor. exposure to tyrosine kinase inhibitor exposure to tyrosine kinase inhibitor An exposure to pediculicide. exposure to pediculicide exposure to pediculicide An exposure to calcium channel agonist. exposure to calcium channel agonist exposure to calcium channel agonist An exposure to calcium channel modulator. exposure to calcium channel modulator exposure to calcium channel modulator An exposure to ryanodine receptor modulator. exposure to ryanodine receptor modulator exposure to ryanodine receptor modulator An exposure to anaesthetic. exposure to anaesthetic exposure to anaesthetic An exposure to general anaesthetic. exposure to general anaesthetic exposure to general anaesthetic An exposure to inhalation anaesthetic. exposure to inhalation anaesthetic exposure to inhalation anaesthetic An exposure to intravenous anaesthetic. exposure to intravenous anaesthetic exposure to intravenous anaesthetic An exposure to schistosomicide drug. exposure to schistosomicide drug exposure to schistosomicide drug An exposure to GABA-gated chloride channel antagonist. exposure to GABA-gated chloride channel antagonist exposure to GABA-gated chloride channel antagonist An exposure to bridged diphenyl acaricide. exposure to bridged diphenyl acaricide exposure to bridged diphenyl acaricide An exposure to photosensitizing agent. exposure to photosensitizing agent exposure to photosensitizing agent An exposure to nicotinic acetylcholine receptor agonist. exposure to nicotinic acetylcholine receptor agonist exposure to nicotinic acetylcholine receptor agonist An exposure to protein synthesis inhibitor. exposure to protein synthesis inhibitor exposure to protein synthesis inhibitor An exposure to antiseptic drug. exposure to antiseptic drug exposure to antiseptic drug An exposure to serotonergic antagonist. exposure to serotonergic antagonist exposure to serotonergic antagonist An exposure to fragrance. exposure to fragrance exposure to fragrance An exposure to polar solvent. exposure to polar solvent exposure to polar solvent An exposure to non-polar solvent. exposure to non-polar solvent exposure to non-polar solvent An exposure to protic solvent. exposure to protic solvent exposure to protic solvent An exposure to polar aprotic solvent. exposure to polar aprotic solvent exposure to polar aprotic solvent An exposure to amphiprotic solvent. exposure to amphiprotic solvent exposure to amphiprotic solvent An exposure to antiparkinson drug. exposure to antiparkinson drug exposure to antiparkinson drug An exposure to angiogenesis inhibitor. exposure to angiogenesis inhibitor exposure to angiogenesis inhibitor An exposure to EC 1.1.1.21 (aldehyde reductase) inhibitor. exposure to EC 1.1.1.21 (aldehyde reductase) inhibitor exposure to EC 1.1.1.21 (aldehyde reductase) inhibitor An exposure to dopaminergic agent. exposure to dopaminergic agent exposure to dopaminergic agent An exposure to dopaminergic antagonist. exposure to dopaminergic antagonist exposure to dopaminergic antagonist An exposure to radical scavenger. exposure to radical scavenger exposure to radical scavenger An exposure to fibrin modulating drug. exposure to fibrin modulating drug exposure to fibrin modulating drug An exposure to antagonist. exposure to antagonist exposure to antagonist An exposure to cholinergic antagonist. exposure to cholinergic antagonist exposure to cholinergic antagonist An exposure to muscarinic antagonist. exposure to muscarinic antagonist exposure to muscarinic antagonist An exposure to nicotinic antagonist. exposure to nicotinic antagonist exposure to nicotinic antagonist An exposure to prostaglandin antagonist. exposure to prostaglandin antagonist exposure to prostaglandin antagonist An exposure to drug metabolite. exposure to drug metabolite exposure to drug metabolite An exposure to peripheral nervous system drug. exposure to peripheral nervous system drug exposure to peripheral nervous system drug An exposure to anti-asthmatic drug. exposure to anti-asthmatic drug exposure to anti-asthmatic drug An exposure to anti-ulcer drug. exposure to anti-ulcer drug exposure to anti-ulcer drug An exposure to contraceptive drug. exposure to contraceptive drug exposure to contraceptive drug An exposure to excitatory amino acid agonist. exposure to excitatory amino acid agonist exposure to excitatory amino acid agonist An exposure to androgen. exposure to androgen exposure to androgen obsolete estrogen exposure true An exposure to bronchoconstrictor agent. exposure to bronchoconstrictor agent exposure to bronchoconstrictor agent An exposure to keratolytic drug. exposure to keratolytic drug exposure to keratolytic drug An exposure to dermatologic drug. exposure to dermatologic drug exposure to dermatologic drug An exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor An exposure to antidote. exposure to antidote exposure to antidote An exposure to hematologic agent. exposure to hematologic agent exposure to hematologic agent An exposure to anticoagulant. exposure to anticoagulant exposure to anticoagulant An exposure to prodrug. exposure to prodrug exposure to prodrug An exposure to GABA modulator. exposure to GABA modulator exposure to GABA modulator An exposure to EC 5.99.1.2 (DNA topoisomerase) inhibitor. exposure to EC 5.99.1.2 (DNA topoisomerase) inhibitor exposure to EC 5.99.1.2 (DNA topoisomerase) inhibitor An exposure to parasympatholytic. exposure to parasympatholytic exposure to parasympatholytic An exposure to EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor. exposure to EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor exposure to EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor An exposure to platelet aggregation inhibitor. exposure to platelet aggregation inhibitor exposure to platelet aggregation inhibitor An exposure to EC 2.5.1.15 (dihydropteroate synthase) inhibitor. exposure to EC 2.5.1.15 (dihydropteroate synthase) inhibitor exposure to EC 2.5.1.15 (dihydropteroate synthase) inhibitor An exposure to laxative. exposure to laxative exposure to laxative An exposure to sweetening agent. exposure to sweetening agent exposure to sweetening agent An exposure to potassium channel blocker. exposure to potassium channel blocker exposure to potassium channel blocker An exposure to mydriatic agent. exposure to mydriatic agent exposure to mydriatic agent An exposure to vasoconstrictor agent. exposure to vasoconstrictor agent exposure to vasoconstrictor agent An exposure to protein denaturant. exposure to protein denaturant exposure to protein denaturant An exposure to nitric oxide donor. exposure to nitric oxide donor exposure to nitric oxide donor An exposure to cyclooxygenase 2 inhibitor. exposure to cyclooxygenase 2 inhibitor exposure to cyclooxygenase 2 inhibitor An exposure to cyclooxygenase 1 inhibitor. exposure to cyclooxygenase 1 inhibitor exposure to cyclooxygenase 1 inhibitor An exposure to bone density conservation agent. exposure to bone density conservation agent exposure to bone density conservation agent An exposure to antithyroid drug. exposure to antithyroid drug exposure to antithyroid drug An exposure to EC 1.5.1.3 (dihydrofolate reductase) inhibitor. exposure to EC 1.5.1.3 (dihydrofolate reductase) inhibitor exposure to EC 1.5.1.3 (dihydrofolate reductase) inhibitor An exposure to cross-linking reagent. exposure to cross-linking reagent exposure to cross-linking reagent An exposure to abortifacient. exposure to abortifacient exposure to abortifacient An exposure to nutraceutical. exposure to nutraceutical exposure to nutraceutical An exposure to antipsoriatic. exposure to antipsoriatic exposure to antipsoriatic An exposure to EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. exposure to EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor exposure to EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor An exposure to appetite enhancer. exposure to appetite enhancer exposure to appetite enhancer An exposure to immunomodulator. exposure to immunomodulator exposure to immunomodulator An exposure to immunological adjuvant. exposure to immunological adjuvant exposure to immunological adjuvant An exposure to antiatherogenic agent. exposure to antiatherogenic agent exposure to antiatherogenic agent An exposure to anti-allergic agent. exposure to anti-allergic agent exposure to anti-allergic agent An exposure to teratogenic agent. exposure to teratogenic agent exposure to teratogenic agent An exposure to hepatotoxic agent. exposure to hepatotoxic agent exposure to hepatotoxic agent An exposure to nephrotoxic agent. exposure to nephrotoxic agent exposure to nephrotoxic agent An exposure to EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. exposure to EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor exposure to EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor An exposure to antiemetic. exposure to antiemetic exposure to antiemetic An exposure to EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. exposure to EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor exposure to EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An exposure to serotonin uptake inhibitor. exposure to serotonin uptake inhibitor exposure to serotonin uptake inhibitor An exposure to dopamine uptake inhibitor. exposure to dopamine uptake inhibitor exposure to dopamine uptake inhibitor An exposure to antitussive. exposure to antitussive exposure to antitussive An exposure to muscle relaxant. exposure to muscle relaxant exposure to muscle relaxant An exposure to mitogen. exposure to mitogen exposure to mitogen An exposure to EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. exposure to EC 3.2.1.18 (exo-alpha-sialidase) inhibitor exposure to EC 3.2.1.18 (exo-alpha-sialidase) inhibitor An exposure to proteasome inhibitor. exposure to proteasome inhibitor exposure to proteasome inhibitor An exposure to epitope. exposure to epitope exposure to epitope An exposure to adenosine A2A receptor antagonist. exposure to adenosine A2A receptor antagonist exposure to adenosine A2A receptor antagonist An exposure to GHB receptor agonist. exposure to GHB receptor agonist exposure to GHB receptor agonist An exposure to EC 1.1.1.205 (IMP dehydrogenase) inhibitor. exposure to EC 1.1.1.205 (IMP dehydrogenase) inhibitor exposure to EC 1.1.1.205 (IMP dehydrogenase) inhibitor An exposure to antispasmodic drug. exposure to antispasmodic drug exposure to antispasmodic drug An exposure to mu-opioid receptor agonist. exposure to mu-opioid receptor agonist exposure to mu-opioid receptor agonist An exposure to antidiarrhoeal drug. exposure to antidiarrhoeal drug exposure to antidiarrhoeal drug An exposure to antigen. exposure to antigen exposure to antigen An exposure to hapten. exposure to hapten exposure to hapten An exposure to DNA synthesis inhibitor. exposure to DNA synthesis inhibitor exposure to DNA synthesis inhibitor An exposure to phosphoantigen. exposure to phosphoantigen exposure to phosphoantigen An exposure to antipruritic drug. exposure to antipruritic drug exposure to antipruritic drug An exposure to electrophilic reagent. exposure to electrophilic reagent exposure to electrophilic reagent An exposure to nucleophilic reagent. exposure to nucleophilic reagent exposure to nucleophilic reagent An exposure to progestin. exposure to progestin exposure to progestin An exposure to EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor. exposure to EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor exposure to EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor An exposure to EC 1.14.18.1 (tyrosinase) inhibitor. exposure to EC 1.14.18.1 (tyrosinase) inhibitor exposure to EC 1.14.18.1 (tyrosinase) inhibitor An exposure to EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor. exposure to EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor exposure to EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor An exposure to thyroid hormone. exposure to thyroid hormone exposure to thyroid hormone An exposure to opioid receptor agonist. exposure to opioid receptor agonist exposure to opioid receptor agonist An exposure to NMDA receptor antagonist. exposure to NMDA receptor antagonist exposure to NMDA receptor antagonist An exposure to anaesthesia adjuvant. exposure to anaesthesia adjuvant exposure to anaesthesia adjuvant An exposure to adjuvant. exposure to adjuvant exposure to adjuvant An exposure to tubulin modulator. exposure to tubulin modulator exposure to tubulin modulator An exposure to nephrotoxin. exposure to nephrotoxin exposure to nephrotoxin An exposure to angiotensin receptor antagonist. exposure to angiotensin receptor antagonist exposure to angiotensin receptor antagonist An exposure to EC 3.5.1.98 (histone deacetylase) inhibitor. exposure to EC 3.5.1.98 (histone deacetylase) inhibitor exposure to EC 3.5.1.98 (histone deacetylase) inhibitor An exposure to EC 1.14.13.39 (nitric oxide synthase) inhibitor. exposure to EC 1.14.13.39 (nitric oxide synthase) inhibitor exposure to EC 1.14.13.39 (nitric oxide synthase) inhibitor An exposure to microtubule-stabilising agent. exposure to microtubule-stabilising agent exposure to microtubule-stabilising agent An exposure to microtubule-destabilising agent. exposure to microtubule-destabilising agent exposure to microtubule-destabilising agent An exposure to metabotropic glutamate receptor agonist. exposure to metabotropic glutamate receptor agonist exposure to metabotropic glutamate receptor agonist An exposure to acyl donor. exposure to acyl donor exposure to acyl donor An exposure to allelochemical. exposure to allelochemical exposure to allelochemical An exposure to fuel additive. exposure to fuel additive exposure to fuel additive An exposure to hepatoprotective agent. exposure to hepatoprotective agent exposure to hepatoprotective agent An exposure to EC 1.2.3.1 (aldehyde oxidase) inhibitor. exposure to EC 1.2.3.1 (aldehyde oxidase) inhibitor exposure to EC 1.2.3.1 (aldehyde oxidase) inhibitor An exposure to EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. exposure to EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor exposure to EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor An exposure to food emulsifier. exposure to food emulsifier exposure to food emulsifier An exposure to sphingosine-1-phosphate receptor agonist. exposure to sphingosine-1-phosphate receptor agonist exposure to sphingosine-1-phosphate receptor agonist An exposure to EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor. exposure to EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor exposure to EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor An exposure to T-cell proliferation inhibitor. exposure to T-cell proliferation inhibitor exposure to T-cell proliferation inhibitor An exposure to reducing agent. exposure to reducing agent exposure to reducing agent An exposure to oxidising agent. exposure to oxidising agent exposure to oxidising agent An exposure to EC 3.1.3.1 (alkaline phosphatase) inhibitor. exposure to EC 3.1.3.1 (alkaline phosphatase) inhibitor exposure to EC 3.1.3.1 (alkaline phosphatase) inhibitor An exposure to explosive. exposure to explosive exposure to explosive An exposure to neuroprotective agent. exposure to neuroprotective agent exposure to neuroprotective agent An exposure to retinoid X receptor agonist. exposure to retinoid X receptor agonist exposure to retinoid X receptor agonist An exposure to Hsp90 inhibitor. exposure to Hsp90 inhibitor exposure to Hsp90 inhibitor An exposure to protein kinase C agonist. exposure to protein kinase C agonist exposure to protein kinase C agonist An exposure to food additive. exposure to food additive exposure to food additive An exposure to food acidity regulator. exposure to food acidity regulator exposure to food acidity regulator An exposure to EC 2.5.1.58 (protein farnesyltransferase) inhibitor. exposure to EC 2.5.1.58 (protein farnesyltransferase) inhibitor exposure to EC 2.5.1.58 (protein farnesyltransferase) inhibitor An exposure to EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor. exposure to EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor exposure to EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor An exposure to MALDI matrix material. exposure to MALDI matrix material exposure to MALDI matrix material An exposure to EC 3.4.22.38 (cathepsin K) inhibitor. exposure to EC 3.4.22.38 (cathepsin K) inhibitor exposure to EC 3.4.22.38 (cathepsin K) inhibitor An exposure to EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor. exposure to EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor exposure to EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor An exposure to EC 1.3.1.43 (arogenate dehydrogenase) inhibitor. exposure to EC 1.3.1.43 (arogenate dehydrogenase) inhibitor exposure to EC 1.3.1.43 (arogenate dehydrogenase) inhibitor An exposure to monolignol. exposure to monolignol exposure to monolignol An exposure to EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor. exposure to EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor exposure to EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor An exposure to NMDA receptor agonist. exposure to NMDA receptor agonist exposure to NMDA receptor agonist An exposure to flour treatment agent. exposure to flour treatment agent exposure to flour treatment agent An exposure to uremic toxin. exposure to uremic toxin exposure to uremic toxin An exposure to glycine transporter 1 inhibitor. exposure to glycine transporter 1 inhibitor exposure to glycine transporter 1 inhibitor An exposure to glycine receptor agonist. exposure to glycine receptor agonist exposure to glycine receptor agonist An exposure to EC 1.8.1.9 (thioredoxin reductase) inhibitor. exposure to EC 1.8.1.9 (thioredoxin reductase) inhibitor exposure to EC 1.8.1.9 (thioredoxin reductase) inhibitor An exposure to EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor. exposure to EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor exposure to EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor An exposure to antimitotic. exposure to antimitotic exposure to antimitotic An exposure to antimycobacterial drug. exposure to antimycobacterial drug exposure to antimycobacterial drug An exposure to serine protease inhibitor. exposure to serine protease inhibitor exposure to serine protease inhibitor An exposure to anti-HIV agent. exposure to anti-HIV agent exposure to anti-HIV agent An exposure to anti-HSV-1 agent. exposure to anti-HSV-1 agent exposure to anti-HSV-1 agent An exposure to EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. exposure to EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor exposure to EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor An exposure to EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor. exposure to EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor exposure to EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor An exposure to EC 3.1.1.3 (triacylglycerol lipase) inhibitor. exposure to EC 3.1.1.3 (triacylglycerol lipase) inhibitor exposure to EC 3.1.1.3 (triacylglycerol lipase) inhibitor An exposure to EC 4.1.1.19 (arginine decarboxylase) inhibitor. exposure to EC 4.1.1.19 (arginine decarboxylase) inhibitor exposure to EC 4.1.1.19 (arginine decarboxylase) inhibitor An exposure to EC 3.1.3.11 (fructose-bisphosphatase) inhibitor. exposure to EC 3.1.3.11 (fructose-bisphosphatase) inhibitor exposure to EC 3.1.3.11 (fructose-bisphosphatase) inhibitor An exposure to adenosine A1 receptor agonist. exposure to adenosine A1 receptor agonist exposure to adenosine A1 receptor agonist An exposure to EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor. exposure to EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor exposure to EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor An exposure to EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor. exposure to EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor exposure to EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor An exposure to first generation antipsychotic. exposure to first generation antipsychotic exposure to first generation antipsychotic An exposure to second generation antipsychotic. exposure to second generation antipsychotic exposure to second generation antipsychotic An exposure to EC 3.4.21.5 (thrombin) inhibitor. exposure to EC 3.4.21.5 (thrombin) inhibitor exposure to EC 3.4.21.5 (thrombin) inhibitor An exposure to antimicrobial food preservative. exposure to antimicrobial food preservative exposure to antimicrobial food preservative An exposure to GABA antagonist. exposure to GABA antagonist exposure to GABA antagonist An exposure to antidyskinesia agent. exposure to antidyskinesia agent exposure to antidyskinesia agent An exposure to nootropic agent. exposure to nootropic agent exposure to nootropic agent An exposure to radiation protective agent. exposure to radiation protective agent exposure to radiation protective agent An exposure to tocolytic agent. exposure to tocolytic agent exposure to tocolytic agent An exposure to cannabinoid receptor agonist. exposure to cannabinoid receptor agonist exposure to cannabinoid receptor agonist An exposure to anti-inflammatory agent. exposure to anti-inflammatory agent exposure to anti-inflammatory agent An exposure to ryanodine receptor agonist. exposure to ryanodine receptor agonist exposure to ryanodine receptor agonist An exposure to EC 3.4.24.3 (microbial collagenase) inhibitor. exposure to EC 3.4.24.3 (microbial collagenase) inhibitor exposure to EC 3.4.24.3 (microbial collagenase) inhibitor An exposure to gap junctional intercellular communication inhibitor. exposure to gap junctional intercellular communication inhibitor exposure to gap junctional intercellular communication inhibitor An exposure to retinoic acid receptor agonist. exposure to retinoic acid receptor agonist exposure to retinoic acid receptor agonist An exposure to AP-1 antagonist. exposure to AP-1 antagonist exposure to AP-1 antagonist An exposure to provitamin A. exposure to provitamin A exposure to provitamin A An exposure to mTOR inhibitor. exposure to mTOR inhibitor exposure to mTOR inhibitor An exposure to apoptosis inhibitor. exposure to apoptosis inhibitor exposure to apoptosis inhibitor An exposure to apoptosis inducer. exposure to apoptosis inducer exposure to apoptosis inducer An exposure to glutathione depleting agent. exposure to glutathione depleting agent exposure to glutathione depleting agent An exposure to P2Y12 receptor antagonist. exposure to P2Y12 receptor antagonist exposure to P2Y12 receptor antagonist An exposure to progesterone receptor agonist. exposure to progesterone receptor agonist exposure to progesterone receptor agonist An exposure to cell dedifferentiation agent. exposure to cell dedifferentiation agent exposure to cell dedifferentiation agent An exposure to adenosine A3 receptor antagonist. exposure to adenosine A3 receptor antagonist exposure to adenosine A3 receptor antagonist An exposure to actin polymerisation inhibitor. exposure to actin polymerisation inhibitor exposure to actin polymerisation inhibitor An exposure to Aurora kinase inhibitor. exposure to Aurora kinase inhibitor exposure to Aurora kinase inhibitor An exposure to capsaicin receptor antagonist. exposure to capsaicin receptor antagonist exposure to capsaicin receptor antagonist An exposure to PPARalpha agonist. exposure to PPARalpha agonist exposure to PPARalpha agonist An exposure to EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor. exposure to EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor exposure to EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor An exposure to antileishmanial agent. exposure to antileishmanial agent exposure to antileishmanial agent An exposure to G-protein-coupled receptor agonist. exposure to G-protein-coupled receptor agonist exposure to G-protein-coupled receptor agonist An exposure to Sir2 inhibitor. exposure to Sir2 inhibitor exposure to Sir2 inhibitor An exposure to prohormone. exposure to prohormone exposure to prohormone An exposure to adenosine receptor antagonist. exposure to adenosine receptor antagonist exposure to adenosine receptor antagonist An exposure to EC 2.3.1.85 (fatty acid synthase) inhibitor. exposure to EC 2.3.1.85 (fatty acid synthase) inhibitor exposure to EC 2.3.1.85 (fatty acid synthase) inhibitor An exposure to virulence factor. exposure to virulence factor exposure to virulence factor An exposure to aryl hydrocarbon receptor agonist. exposure to aryl hydrocarbon receptor agonist exposure to aryl hydrocarbon receptor agonist An exposure to EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor. exposure to EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor exposure to EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors An exposure to plant activator. exposure to plant activator exposure to plant activator An exposure to abscisic acid receptor agonist. exposure to abscisic acid receptor agonist exposure to abscisic acid receptor agonist An exposure to NF-kappaB inhibitor. exposure to NF-kappaB inhibitor exposure to NF-kappaB inhibitor An exposure to cyclooxygenase 3 inhibitor. exposure to cyclooxygenase 3 inhibitor exposure to cyclooxygenase 3 inhibitor An exposure to ultraviolet filter. exposure to ultraviolet filter exposure to ultraviolet filter An exposure to vulnerary. exposure to vulnerary exposure to vulnerary An exposure to methionine aminopeptidase 2 inhibitor. exposure to methionine aminopeptidase 2 inhibitor exposure to methionine aminopeptidase 2 inhibitor An exposure to EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor. exposure to EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor exposure to EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor An exposure to antidote to paracetamol poisoning. exposure to antidote to paracetamol poisoning exposure to antidote to paracetamol poisoning An exposure to antidote to curare poisoning. exposure to antidote to curare poisoning exposure to antidote to curare poisoning An exposure to astringent. exposure to astringent exposure to astringent An exposure to chromogenic compound. exposure to chromogenic compound exposure to chromogenic compound An exposure to EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor. exposure to EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor exposure to EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor An exposure to ergosterol biosynthesis inhibitor. exposure to ergosterol biosynthesis inhibitor exposure to ergosterol biosynthesis inhibitor An exposure to EC 1.11.1.6 (catalase) inhibitor. exposure to EC 1.11.1.6 (catalase) inhibitor exposure to EC 1.11.1.6 (catalase) inhibitor An exposure to B vitamin. exposure to B vitamin exposure to B vitamin An exposure to xenobiotic metabolite. exposure to xenobiotic metabolite exposure to xenobiotic metabolite An exposure to greenhouse gas. exposure to greenhouse gas exposure to greenhouse gas An exposure to nephroprotective agent. exposure to nephroprotective agent exposure to nephroprotective agent An exposure to EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. exposure to EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor exposure to EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An exposure to EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. exposure to EC 3.4.21.26 (prolyl oligopeptidase) inhibitor exposure to EC 3.4.21.26 (prolyl oligopeptidase) inhibitor An exposure to EC 2.5.1.18 (glutathione transferase) inhibitor. exposure to EC 2.5.1.18 (glutathione transferase) inhibitor exposure to EC 2.5.1.18 (glutathione transferase) inhibitor An exposure to EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor. exposure to EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor exposure to EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor An exposure to EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor. exposure to EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor exposure to EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor An exposure to EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor. exposure to EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor exposure to EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor An exposure to xenoestrogen. exposure to xenoestrogen exposure to xenoestrogen An exposure to phytoestrogen. exposure to phytoestrogen exposure to phytoestrogen An exposure to EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor. exposure to EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor exposure to EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor An exposure to EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor. exposure to EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor exposure to EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor An exposure to expectorant. exposure to expectorant exposure to expectorant An exposure to EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor. exposure to EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor exposure to EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor An exposure to EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor. exposure to EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor exposure to EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor An exposure to histological dye. exposure to histological dye exposure to histological dye An exposure to food colouring. exposure to food colouring exposure to food colouring An exposure to EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor. exposure to EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor exposure to EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor An exposure to cardioprotective agent. exposure to cardioprotective agent exposure to cardioprotective agent An exposure to EC 1.1.1.188 (prostaglandin-F synthase) inhibitor. exposure to EC 1.1.1.188 (prostaglandin-F synthase) inhibitor exposure to EC 1.1.1.188 (prostaglandin-F synthase) inhibitor An exposure to EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. exposure to EC 1.1.1.25 (shikimate dehydrogenase) inhibitor exposure to EC 1.1.1.25 (shikimate dehydrogenase) inhibitor An exposure to Maillard reaction product. exposure to Maillard reaction product exposure to Maillard reaction product An exposure to EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor. exposure to EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor exposure to EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor An exposure to EC 4.3.1.3 (histidine ammonia-lyase) inhibitor. exposure to EC 4.3.1.3 (histidine ammonia-lyase) inhibitor exposure to EC 4.3.1.3 (histidine ammonia-lyase) inhibitor An exposure to EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. exposure to EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor exposure to EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor An exposure to persistent organic pollutant. exposure to persistent organic pollutant exposure to persistent organic pollutant An exposure to EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor. exposure to EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor exposure to EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor An exposure to food antioxidant. exposure to food antioxidant exposure to food antioxidant An exposure to food stabiliser. exposure to food stabiliser exposure to food stabiliser An exposure to food thickening agent. exposure to food thickening agent exposure to food thickening agent An exposure to food packaging gas. exposure to food packaging gas exposure to food packaging gas An exposure to food bleaching agent. exposure to food bleaching agent exposure to food bleaching agent An exposure to food gelling agent. exposure to food gelling agent exposure to food gelling agent An exposure to food propellant. exposure to food propellant exposure to food propellant An exposure to food component. exposure to food component exposure to food component An exposure to EC 2.7.1.1 (hexokinase) inhibitor. exposure to EC 2.7.1.1 (hexokinase) inhibitor exposure to EC 2.7.1.1 (hexokinase) inhibitor An exposure to refrigerant. exposure to refrigerant exposure to refrigerant An exposure to EC 3.1.1.1 (carboxylesterase) inhibitor. exposure to EC 3.1.1.1 (carboxylesterase) inhibitor exposure to EC 3.1.1.1 (carboxylesterase) inhibitor An exposure to protein kinase A agonist. exposure to protein kinase A agonist exposure to protein kinase A agonist An exposure to adenylate cyclase agonist. exposure to adenylate cyclase agonist exposure to adenylate cyclase agonist An exposure to fundamental metabolite. exposure to fundamental metabolite exposure to fundamental metabolite An exposure to plasticiser. exposure to plasticiser exposure to plasticiser An exposure to phytochrome chromophore. exposure to phytochrome chromophore exposure to phytochrome chromophore An exposure to EC 3.5.1.19 (nicotinamidase) inhibitor. exposure to EC 3.5.1.19 (nicotinamidase) inhibitor exposure to EC 3.5.1.19 (nicotinamidase) inhibitor An exposure to skin lightening agent. exposure to skin lightening agent exposure to skin lightening agent An exposure to EC 1.10.3.1 (catechol oxidase) inhibitor. exposure to EC 1.10.3.1 (catechol oxidase) inhibitor exposure to EC 1.10.3.1 (catechol oxidase) inhibitor An exposure to EC 1.10.3.2 (laccase) inhibitor. exposure to EC 1.10.3.2 (laccase) inhibitor exposure to EC 1.10.3.2 (laccase) inhibitor An exposure to EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor. exposure to EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor exposure to EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor An exposure to EC 1.4.3.3 (D-amino-acid oxidase) inhibitor. exposure to EC 1.4.3.3 (D-amino-acid oxidase) inhibitor exposure to EC 1.4.3.3 (D-amino-acid oxidase) inhibitor An exposure to human blood serum metabolite. exposure to human blood serum metabolite exposure to human blood serum metabolite An exposure to antifungal drug. exposure to antifungal drug exposure to antifungal drug An exposure to antifungal agrochemical. exposure to antifungal agrochemical exposure to antifungal agrochemical An exposure to drug allergen. exposure to drug allergen exposure to drug allergen An exposure to autophagy inhibitor. exposure to autophagy inhibitor exposure to autophagy inhibitor An exposure to EC 6.4.1.1 (pyruvate carboxylase) inhibitor. exposure to EC 6.4.1.1 (pyruvate carboxylase) inhibitor exposure to EC 6.4.1.1 (pyruvate carboxylase) inhibitor An exposure to erythropoietin inhibitor. exposure to erythropoietin inhibitor exposure to erythropoietin inhibitor An exposure to elastin-laminin receptor agonist. exposure to elastin-laminin receptor agonist exposure to elastin-laminin receptor agonist An exposure to antifeedant. exposure to antifeedant exposure to antifeedant An exposure to chemosterilant. exposure to chemosterilant exposure to chemosterilant An exposure to chitin synthesis inhibitor. exposure to chitin synthesis inhibitor exposure to chitin synthesis inhibitor An exposure to cytochrome-b6f complex inhibitor. exposure to cytochrome-b6f complex inhibitor exposure to cytochrome-b6f complex inhibitor An exposure to ecdysone antagonists. exposure to ecdysone antagonists exposure to ecdysone antagonists An exposure to insect attractant. exposure to insect attractant exposure to insect attractant An exposure to insect growth regulator. exposure to insect growth regulator exposure to insect growth regulator An exposure to juvenile hormone antagonists. exposure to juvenile hormone antagonists exposure to juvenile hormone antagonists An exposure to juvenile hormone mimic. exposure to juvenile hormone mimic exposure to juvenile hormone mimic An exposure to pesticide synergist. exposure to pesticide synergist exposure to pesticide synergist An exposure to photosynthetic electron-transport chain inhibitor. exposure to photosynthetic electron-transport chain inhibitor exposure to photosynthetic electron-transport chain inhibitor An exposure to photosystem-I inhibitor. exposure to photosystem-I inhibitor exposure to photosystem-I inhibitor An exposure to photosystem-II inhibitor. exposure to photosystem-II inhibitor exposure to photosystem-II inhibitor An exposure to precocenes. exposure to precocenes exposure to precocenes An exposure to pyrethroid insecticide. exposure to pyrethroid insecticide exposure to pyrethroid insecticide An exposure to molluscicide. exposure to molluscicide exposure to molluscicide An exposure to acaricide drug. exposure to acaricide drug exposure to acaricide drug An exposure to ecdysone agonist. exposure to ecdysone agonist exposure to ecdysone agonist An exposure to carbamate insecticide. exposure to carbamate insecticide exposure to carbamate insecticide An exposure to pyrethroid ester insecticide. exposure to pyrethroid ester insecticide exposure to pyrethroid ester insecticide An exposure to antibiotic insecticide. exposure to antibiotic insecticide exposure to antibiotic insecticide An exposure to antibiotic pesticide. exposure to antibiotic pesticide exposure to antibiotic pesticide An exposure to antibiotic acaricide. exposure to antibiotic acaricide exposure to antibiotic acaricide An exposure to antibiotic nematicide. exposure to antibiotic nematicide exposure to antibiotic nematicide An exposure to pyrethroid ester acaricide. exposure to pyrethroid ester acaricide exposure to pyrethroid ester acaricide An exposure to fumigant. exposure to fumigant exposure to fumigant An exposure to fumigant insecticide. exposure to fumigant insecticide exposure to fumigant insecticide An exposure to sulfite ester acaricide. exposure to sulfite ester acaricide exposure to sulfite ester acaricide An exposure to mite growth regulator. exposure to mite growth regulator exposure to mite growth regulator An exposure to tetrazine acaricide. exposure to tetrazine acaricide exposure to tetrazine acaricide An exposure to pyrethroid ether insecticide. exposure to pyrethroid ether insecticide exposure to pyrethroid ether insecticide An exposure to pyrethroid ether acaricide. exposure to pyrethroid ether acaricide exposure to pyrethroid ether acaricide An exposure to homopteran inhibitor of chitin biosynthesis. exposure to homopteran inhibitor of chitin biosynthesis exposure to homopteran inhibitor of chitin biosynthesis An exposure to lepidopteran inhibitor of chitin biosynthesis. exposure to lepidopteran inhibitor of chitin biosynthesis exposure to lepidopteran inhibitor of chitin biosynthesis An exposure to dinitrophenol insecticide. exposure to dinitrophenol insecticide exposure to dinitrophenol insecticide An exposure to antifouling biocide. exposure to antifouling biocide exposure to antifouling biocide An exposure to insect sterilant. exposure to insect sterilant exposure to insect sterilant An exposure to insect repellent. exposure to insect repellent exposure to insect repellent An exposure to scabicide. exposure to scabicide exposure to scabicide An exposure to environmental food contaminant. exposure to environmental food contaminant exposure to environmental food contaminant An exposure to sex hormone. exposure to sex hormone exposure to sex hormone An exposure to mu-opioid receptor antagonist. exposure to mu-opioid receptor antagonist exposure to mu-opioid receptor antagonist An exposure to neurotransmitter agent. exposure to neurotransmitter agent exposure to neurotransmitter agent An exposure to food preservative. exposure to food preservative exposure to food preservative An exposure to flame retardant. exposure to flame retardant exposure to flame retardant An exposure to methane. exposure to methane exposure to methane An exposure to protein. exposure to protein exposure to protein An exposure to low-density lipoprotein. exposure to low-density lipoprotein exposure to low-density lipoprotein An exposure to high-density lipoprotein. exposure to high-density lipoprotein exposure to high-density lipoprotein An exposure to urea. exposure to urea exposure to urea An exposure to Anilofos. exposure to Anilofos exposure to anilofos An exposure to glyphosate. exposure to glyphosate exposure to glyphosate An exposure to nitrile. exposure to nitrile exposure to nitrile obsolete waste material exposure true An exposure to poly(chloroprene) polymer. exposure to poly(chloroprene) polymer exposure to neoprene An exposure to epoxy group. exposure to epoxy group exposure to epoxy An exposure to polyimide polymer. exposure to polyimide polymer exposure to polymides obsolete 1,1-Dichloroethane exposure true obsolete tetrachloroethene exposure true An exposure to acid. exposure to acid exposure to acids An exposure to chlorinated naphthalene. exposure to chlorinated naphthalene exposure to chlorinated naphthalene An exposure to polycyclic hydrocarbon. exposure to polycyclic hydrocarbon exposure to polycyclic hydrocarbon An exposure to oral contraceptive. exposure to oral contraceptive exposure to oral contraceptive An exposure to poly(ethylene-co-vinyl acetate). exposure to poly(ethylene-co-vinyl acetate) exposure to poly(ethylene-co-vinyl acetate) An exposure to nicotinic acid. exposure to nicotinic acid exposure to niacin(b3) An exposure to pantothenic acid. exposure to pantothenic acid exposure to pantothenic acid An exposure to isocyanates. exposure to isocyanates exposure to isocyanates An exposure to hematite. exposure to hematite exposure to hematite An exposure to chlorobiphenyl. exposure to chlorobiphenyl exposure to chlorobiphenyl An exposure to glycol. exposure to glycol exposure to glycol An exposure to 1,2,5,6,9,10-hexabromocyclododecane. exposure to 1,2,5,6,9,10-hexabromocyclododecane exposure to 1,2,5,6,9,10-hexabromocyclododecane An exposure to warfarin. exposure to warfarin exposure to warfarin An exposure to polyfluoroalkyl substance. exposure to polyfluoroalkyl substance exposure to polyfluoroalkyl substance An exposure to perfluoroalkyl substance. exposure to perfluoroalkyl substance exposure to perfluoroalkyl substance An exposure to glycol ether. exposure to glycol ether exposure to glycol ether An exposure to brominated flame retardant. exposure to brominated flame retardant exposure to brominated flame retardant An exposure to heavy metal. exposure to heavy metal exposure to heavy metal An exposure to desflurane. exposure to desflurane exposure to desflurane An exposure to sevoflurane. exposure to sevoflurane exposure to sevoflurane An exposure to isoflurane. exposure to isoflurane exposure to isoflurane An exposure to aldehyde. exposure to aldehyde exposure to aldehyde An exposure to vitamin B complex. exposure to vitamin B complex exposure to vitamin B complex An exposure to phosmet. exposure to phosmet exposure to phosmet An exposure to carbon black. exposure to carbon black exposure to carbon black An exposure to 2-nitrofluorene. exposure to 2-nitrofluorene exposure to 2-nitrofluorene An exposure to caesium atom. exposure to caesium atom exposure to caesium atom An exposure to urea herbicide. exposure to urea herbicide exposure to urea herbicide An exposure to organophosphorus herbicide. exposure to organophosphorus herbicide exposure to organophosphorus herbicide An exposure to nitrile herbicide. exposure to nitrile herbicide exposure to nitrile herbicide An exposure to anticoagulant rodenticide. exposure to anticoagulant rodenticide exposure to anticoagulant rodenticide An exposure to Butylparaben. exposure to Butylparaben exposure to butylparaben An astrononmical body part which delimited by physical discontinuities with its surroundings. https://en.wikipedia.org/wiki/Geographic_feature macroscopic spatial feature envoPolar This class is being depopulated and will be filled only with inferred subclasses. Please do not use this for direct annotation, favouring instead a more descriptive subclass. geographic feature An anthropogenic geographic feature is a geographic feature resulting from the influence of human beings on nature. FTT:78 TGN:50001 man-made feature manmade feature anthropogenic geographic feature An anthropogenic geographic feature is a geographic feature resulting from the influence of human beings on nature. ORCID:0000-0002-4366-3088 Mine tailings are the materials left over after the process of separating the valuable fraction from the uneconomic fraction (gangue) of an ore. tailing FTT:625 FTT:631 mine tailing Mine tailings are the materials left over after the process of separating the valuable fraction from the uneconomic fraction (gangue) of an ore. https://en.wikipedia.org/wiki/Tailings tailing ADL:FTT A construction which enables the movement of humans, their animals or their vehicles. FTT:83 transport feature A construction which enables the movement of humans, their animals or their vehicles. MA:ma An enclosure for displaying selected plant or animal life. FTT:31 FTT:743 Geonames:S.GDN TGN:53010 https://en.wikipedia.org/wiki/Garden ENVO PARK cropland park ENVO:00000011 garden An enclosure for displaying selected plant or animal life. Geonames:feature PARK USGS:SDTS cropland USGS:SDTS park ADL:FTT A geographical feature associated with water. FTT:131 FTT:280 FTT:711 FTT:761 FTT:824 FTT:825 FTT:826 FTT:827 FTT:828 FTT:829 Geonames:H.OVF fluvial feature envoPolar hydrographic feature A geographical feature associated with water. MA:ma fluvial feature ADL:FTT A marine water body which is constitutes the majority of an astronomical body's hydrosphere. LTER:695 EcoLexicon:ocean FTT:1019 FTT:943 Geonames:H.OCN SWEETRealm:Ocean TGN:21102 https://en.wikipedia.org/wiki/Ocean ocean region envoMarine envoPolar ocean LTER:695 https://vocab.lternet.edu/vocab/vocab/index.php?tema=695&/oceans ocean region ADL:FTT A large expanse of saline water usually connected with an ocean. EcoLexicon:sea FTT:233 FTT:830 Geonames:H.SEA TGN:21103 https://en.wikipedia.org/wiki/Sea channel closed sea marginal sea open sea open sound open water envoMarine envoPolar sea A large expanse of saline water usually connected with an ocean. https://en.wikipedia.org/wiki/Sea closed sea USGS:SDTS marginal sea USGS:SDTS open sea USGS:SDTS open sound USGS:SDTS open water USGS:SDTS A geographical feature associated with water with a halinity above 30 ppt (roughly 35 g/L). ENVO ENVO:00000017 saline hydrographic feature A geographical feature associated with water with a halinity above 30 ppt (roughly 35 g/L). https://en.wikipedia.org/wiki/Salinity A lake whose water contains a considerable concentration of dissolved salts. FTT:221 FTT:907 Geonames:H.LKN Geonames:H.LKSN TGN:21116 https://en.wikipedia.org/wiki/Saline_lake salt lake salina soda lake saline lake A lake whose water contains a considerable concentration of dissolved salts. MA:ma salt lake USGS:SDTS salina USGS:SDTS A body of water or other liquid of considerable size contained in a depression on a landmass. LTER:278 EcoLexicon:lake FTT:221 FTT:704 FTT:909 Geonames:H.LK Geonames:H.LKS SPIRE:Lake_or_pond SWEETRealm:Lake TGN:21114 TGN:21115 catch basin open water tarn broad llyn loch lochan lough mere mortlake pasteuer lake envoPolar lake A body of water or other liquid of considerable size contained in a depression on a landmass. https://en.wikipedia.org/wiki/Lake LTER:278 https://vocab.lternet.edu/vocab/vocab/index.php?tema=278&/lakes catch basin USGS:SDTS open water USGS:SDTS tarn ADL:FTT lochan ADL:FTT mortlake USGS:SDTS pasteuer lake USGS:SDTS A stream which, through permanent or seasonal flow processes, moves from elevated land towards lower elevations through a definite channel and empties either into a sea, lake, or another river or ends on land as bed seepage and evapotranspiration exceed water supply. LTER:474 EcoLexicon:river FTT:1179 FTT:251 SPIRE:River SWEETRealm:River TGN:21105 rio braided river "There are no official definitions for the generic term river as applied to geographic features, although in some countries or communities a stream is defined by its size. Many names for small rivers are specific to geographic location; examples are "run" in some parts of the United States, "burn" in Scotland and northeast England, and "beck" in northern England. Sometimes a river is defined as being larger than a creek, but not always: the language is vague." river A stream which, through permanent or seasonal flow processes, moves from elevated land towards lower elevations through a definite channel and empties either into a sea, lake, or another river or ends on land as bed seepage and evapotranspiration exceed water supply. ADL:FTT https://en.wikipedia.org/wiki/River LTER:474 https://vocab.lternet.edu/vocab/vocab/index.php?tema=474&/rivers rio ADL:FTT rio USGS:SDTS braided river USGS:SDTS "There are no official definitions for the generic term river as applied to geographic features, although in some countries or communities a stream is defined by its size. Many names for small rivers are specific to geographic location; examples are "run" in some parts of the United States, "burn" in Scotland and northeast England, and "beck" in northern England. Sometimes a river is defined as being larger than a creek, but not always: the language is vague." https://en.wikipedia.org/wiki/River A watercourse which is linear and flows across the solid portion of a planetary surface. LTER:562 watercourse EcoLexicon:stream FTT:105 FTT:1221 FTT:1225 FTT:1261 FTT:303 FTT:371 FTT:593 FTT:721 Geonames:H.STM Geonames:H.STMS SWEETRealm:Stream TGN:21106 TGN:21107 TGN:21108 TGN:21109 https://en.wikipedia.org/wiki/Stream streams braided stream fork (hydrographic lode millstream stream bend streamlet Creek beck brook burn (hydrographic) creek rivulet stream A watercourse which is linear and flows across the solid portion of a planetary surface. USGS:http://mapping.usgs.gov/www/ti/GNIS/gnis_users_guide_appendixc.html LTER:562 https://vocab.lternet.edu/vocab/vocab/index.php?tema=562&/streams watercourse ADL:FTT watercourse USGS:SDTS streams Geonames:feature braided stream USGS:SDTS fork (hydrographic ADL:FTT lode USGS:SDTS stream bend ADL:FTT Creek NASA:earthrealm beck USGS:SDTS brook ADL:FTT brook Getty:TGN burn (hydrographic) ADL:FTT creek ADL:FTT creek Getty:TGN creek USGS:SDTS rivulet USGS:SDTS A flowing body of water. EcoLexicon:brook EcoLexicon:course EcoLexicon:culvert EcoLexicon:gully EcoLexicon:ravine EcoLexicon:spillway EcoLexicon:waterway FTT:105 Geonames:H.NRWS Geonames:H.RCH Geonames:H.WTRC Geonames:S.SPLY TGN:21110 TGN:21131 TGN:21133 TGN:21137 TGN:21163 TGN:21499 https://en.wikipedia.org/wiki/Watercourse culvert dredged channel fork gulch gully gut gutter kill lode narrows overflow channel passage pup race ravine reach rill rivulet run runnel seachannel seaway spillway stream tideway wash water gap awawa barranca beck branch brook course draw moat narrows narrows (hydrographic) watercourse A flowing body of water. https://en.wikipedia.org/wiki/Watercourse culvert USGS:SDTS dredged channel USGS:SDTS fork USGS:SDTS gulch USGS:SDTS gully USGS:SDTS gut Getty:TGN gut USGS:SDTS gutter USGS:SDTS kill USGS:SDTS lode USGS:SDTS narrows Geonames:feature narrows USGS:SDTS overflow channel USGS:SDTS passage Getty:TGN passage USGS:SDTS pup USGS:SDTS race USGS:SDTS ravine USGS:SDTS reach Geonames:feature reach Getty:TGN reach USGS:SDTS rill USGS:SDTS rivulet USGS:SDTS run Getty:TGN run USGS:SDTS runnel USGS:SDTS seachannel USGS:SDTS seaway USGS:SDTS spillway Geonames:feature spillway USGS:SDTS stream ADL:FTT tideway USGS:SDTS wash USGS:SDTS water gap USGS:SDTS awawa USGS:SDTS barranca USGS:SDTS beck USGS:SDTS branch USGS:SDTS brook USGS:SDTS course USGS:SDTS draw USGS:SDTS moat USGS:SDTS narrows Getty:TGN narrows (hydrographic) ADL:FTT A body of water, usually of smaller size than a lake. LTER:975 lake EcoLexicon:pond FTT:221 FTT:902 FTT:904 FTT:905 Geonames:H.PND Geonames:H.PNDS Geonames:H.POOL SPIRE:Lake_or_pond SWEETRealm:Pond TGN:21104 TGN:21119 https://en.wikipedia.org/wiki/Pond Pond pool (water body) POOL millpond pond ponds pool pool (water body) pond A body of water, usually of smaller size than a lake. MA:ma LTER:975 https://vocab.lternet.edu/vocab/vocab/index.php?tema=975&/ponds lake ADL:FTT lake USGS:SDTS Pond NASA:earthrealm pool (water body) ADL:FTT POOL Getty:TGN millpond ADL:FTT millpond USGS:SDTS pond ADL:FTT pond Geonames:feature ponds Geonames:feature pool Geonames:feature pool USGS:SDTS pool (water body) USGS:SDTS Place or area with clustered or scattered buildings and a permanent human population. place FTT:1097 FTT:33 Geonames:P.PPL Geonames:P.PPLS TGN:22201 TGN:83002 https://en.wikipedia.org/wiki/Populated_place populated places settlement ENVO inhabited region populated locality ENVO:00000062 populated place Place or area with clustered or scattered buildings and a permanent human population. USGS:http://mapping.usgs.gov/www/ti/GNIS/gnis_users_guide_appendixc.html place USGS:SDTS populated places Geonames:feature settlement USGS:SDTS An accumulation of water of varying size. hydrographic feature EcoLexicon:waterbody FTT:131 FTT:280 FTT:827 SWEETRealm:BodyOfWater TGN:21100 TGN:21101 https://en.wikipedia.org/wiki/Water_body aquatic feature bodies of water body of water waterbody https://en.wikipedia.org/wiki/ The term body of water most often refers to large accumulations of water, such as oceans, seas, and lakes, but it includes smaller pools of water such as ponds, wetlands, or more rarely, puddles. A body of water does not have to be still or contained; Rivers, streams, canals, and other geographical features where water moves from one place to another are also considered bodies of water. water body An accumulation of water of varying size. https://en.wikipedia.org/wiki/Body_of_water hydrographic feature ADL:FTT bodies of water Getty:TGN body of water ADL:FTT body of water Getty:TGN A construction that has been assembled by deliberate human effort. "constructed" should probably be made something like a quality and this class obsoleted or filled only by inference constructed feature human construction A construction that has been assembled by deliberate human effort. MA:ma A permanent walled and roofed construction. FTT:42 Geonames:S.BLDG LTER:76 TGN:51011 https://en.wikipedia.org/wiki/Building building A permanent walled and roofed construction. USGS:SDTS An excavation in the Earth for the purpose of extracting earth materials. EcoLexicon:mine FTT:14 FTT:968 Geonames:L.MNA Geonames:S.MN TGN:54211 TGN:54212 mine An excavation in the Earth for the purpose of extracting earth materials. USGS:SDTS https://en.wikipedia.org/wiki/Mine FTT:1246 FTT:1247 FTT:44 FTT:45 FTT:46 FTT:48 FTT:50 FTT:51 FTT:52 FTT:57 FTT:60 FTT:62 FTT:63 FTT:64 FTT:72 FTT:74 Geonames:L.AGRC Geonames:L.RESA Geonames:S.NSY TGN:55001 barn cattle dipping tank corral dairy feedlot grange grazing allotment irrigated field nursery pastoral site sheepfold stockyard AgriculturalLands agricultural colony agricultural facility agricultural land agricultural reserve agricultural site As with other classes that are "features", the subclasses of this class are being moved to more informative locations. Their relation to agriculture will be modelled by something more akin to a quality or relation to an agricultural process. agricultural ecosystem barn ADL:FTT cattle dipping tank ADL:FTT corral ADL:FTT dairy ADL:FTT feedlot ADL:FTT grange ADL:FTT grazing allotment ADL:FTT irrigated field ADL:FTT nursery ADL:FTT nursery Geonames:feature pastoral site ADL:FTT sheepfold ADL:FTT stockyard ADL:FTT AgriculturalLands NASA:earthrealm agricultural colony Geonames:feature agricultural facility ADL:FTT agricultural land Getty:TGN agricultural reserve ADL:FTT agricultural reserve Geonames:feature agricultural site ADL:FTT An area of land which is used for the cultivation of crops or grazing of livestock, including any agricultural constructions therein. agricultural site FTT:45 FTT:58 FTT:59 FTT:69 Geonames:S.FRM Geonames:S.FRMS Geonames:S.RNCH TGN:54011 https://en.wikipedia.org/wiki/Farm FARM farm farms farmstead ranch farm An area of land which is used for the cultivation of crops or grazing of livestock, including any agricultural constructions therein. USGS:SDTS agricultural site ADL:FTT FARM USGS:SDTS farm Geonames:feature farms Geonames:feature farmstead ADL:FTT ranch Geonames:feature ranch Getty:TGN ranch USGS:SDTS A region of general uniform slope, comparatively level, and of considerable extent. EcoLexicon:plain FTT:707 FTT:874 FTT:926 Geonames:T.PLN SWEETRealm:Plain TGN:21461 https://en.wikipedia.org/wiki/Plain interfluve llanos outwash plain plain A region of general uniform slope, comparatively level, and of considerable extent. USGS:SDTS interfluve ADL:FTT llanos ADL:FTT outwash plain USGS:SDTS A part of an astronomical body associated with a volcano - an opening, or rupture, in that body's surface or crust - which allows hot, molten rock, ash and gases to escape from deep below the surface. FTT:591 TGN:21407 volcanic landform volcanic feature A part of an astronomical body associated with a volcano - an opening, or rupture, in that body's surface or crust - which allows hot, molten rock, ash and gases to escape from deep below the surface. https://en.wikipedia.org/wiki/Volcano volcanic landform Getty:TGN A region rendered barren or partially barren by environmental extremes, especially by low rainfall. EcoLexicon:desert FTT:1 FTT:188 Geonames:T.DSRT LTER:147 SWEETRealm:Desert TGN:21201 https://en.wikipedia.org/wiki/Desert arid region envoPolar desert area A region rendered barren or partially barren by environmental extremes, especially by low rainfall. USGS:SDTS arid region ADL:FTT A depression which has been formed as a result of erosion by water or ice and which is low-lying, bordered by higher ground, and especially elongate. EcoLexicon:valley FTT:158 FTT:166 FTT:418 FTT:761 FTT:811 FTT:949 Geonames:T.GRGE Geonames:T.VAL Geonames:T.VALS SWEETRealm:Valley TGN:21425 TGN:21451 TGN:21452 TGN:21453 chasm coulee dale glacial gorge glacial trough gulch gully median valley shelf valley glen goe gorge graben hollow lavaka moat ravine re-entrant seachannel strath trench vale water gap Valleys are typically located between hills our mountains. valley A depression which has been formed as a result of erosion by water or ice and which is low-lying, bordered by higher ground, and especially elongate. ADL:FTT https://en.wikipedia.org/wiki/Valley chasm USGS:SDTS coulee USGS:SDTS dale USGS:SDTS glacial gorge USGS:SDTS glacial trough USGS:SDTS gulch USGS:SDTS gully Getty:TGN gully USGS:SDTS median valley ADL:FTT median valley Geonames:feature shelf valley Geonames:feature glen ADL:FTT glen USGS:SDTS goe USGS:SDTS gorge Geonames:feature gorge USGS:SDTS graben USGS:SDTS hollow ADL:FTT hollow Getty:TGN hollow USGS:SDTS moat USGS:SDTS ravine USGS:SDTS re-entrant USGS:SDTS seachannel USGS:SDTS strath USGS:SDTS trench USGS:SDTS water gap USGS:SDTS An area in which grasses (Graminae) are a significant component of the vegetation. grazing area herbaceous area grassland area An area in which grasses (Graminae) are a significant component of the vegetation. https://en.wikipedia.org/wiki/Grassland grazing area Getty:TGN herbaceous area USGS:SDTS Land having a cover of trees, shrubs, or both. FTT:1083 FTT:505 FTT:506 FTT:719 FTT:774 Geonames:V.GRVPN LTER:503 SWEETRealm:Break SWEETRealm:Scrub TGN:21631 TGN:21632 TGN:21641 https://en.wikipedia.org/wiki/Woodland brigalow pine grove caatinga chanaral coniferous forest copse deciduous forest equatorial forest equatorial rain forest garique grove jungle mallee scrub monsoon forest moor mott motte mulga mulga scrub rain forest reforested area sagebrush scrub shrub silva stand taiga thicket thorn forest tropical rain forest wood wooded area woodland area Land having a cover of trees, shrubs, or both. USGS:SDTS brigalow USGS:SDTS pine grove Geonames:feature caatinga USGS:SDTS chanaral USGS:SDTS coniferous forest USGS:SDTS copse USGS:SDTS deciduous forest USGS:SDTS equatorial forest USGS:SDTS equatorial rain forest USGS:SDTS garique USGS:SDTS grove ADL:FTT grove USGS:SDTS jungle Getty:TGN jungle USGS:SDTS mallee scrub USGS:SDTS monsoon forest USGS:SDTS moor USGS:SDTS motte USGS:SDTS mulga USGS:SDTS mulga scrub USGS:SDTS rain forest ADL:FTT rain forest Getty:TGN reforested area USGS:SDTS sagebrush USGS:SDTS scrub USGS:SDTS shrub USGS:SDTS silva USGS:SDTS stand USGS:SDTS taiga USGS:SDTS thicket USGS:SDTS thorn forest USGS:SDTS tropical rain forest USGS:SDTS wood ADL:FTT wood Getty:TGN wood USGS:SDTS wooded area USGS:SDTS An area with a high density of trees. A small forest may be called a wood. EcoLexicon:forest FTT:258 FTT:506 FTT:715 FTT:717 Geonames:V.FRST LTER:2 SWEETRealm:Forest TGN:21641 TGN:21642 TGN:21645 https://en.wikipedia.org/wiki/Forest forest wood The definitions of forest can vary greatly, and different classes will be needed to support the major categories. Tree cover alone is not enough to distinguish between forests and plantations. The international definition proposed by the 2010 FAO Forestry Resource Assessment: "land spanning more than 0.5 ha with trees higher than 5 metres and canopy cover of more than 10 percent, or trees able to reach these thresholds in situ . It does not include land that is predominantly under agricultural or urban land use." - FAO. 2010. Global forest resources assessment 2010, Main report, FAO Forestry Paper 163. Rome. forested area An area with a high density of trees. A small forest may be called a wood. https://en.wikipedia.org/wiki/Forest forest Geonames:feature wood Getty:TGN A field which is located on land and used for agricultural purposes, such as the grazing of livestock or the cultivation of crops. agricultural site EcoLexicon:field FTT:45 FTT:61 Geonames:L.FLD SWEETRealm:Field TGN:21456 cropland grassland agricultural field A field which is located on land and used for agricultural purposes, such as the grazing of livestock or the cultivation of crops. https://en.wikipedia.org/wiki/Field_%28agriculture%29 agricultural site ADL:FTT cropland USGS:SDTS grassland USGS:SDTS A valley which no longer has water flowing or accumulating over its surface. https://en.wikipedia.org/wiki/Dry_valley Typically found in either Karst (limestone) or chalk terrain. dry valley A valley which no longer has water flowing or accumulating over its surface. https://en.wikipedia.org/wiki/Dry_valley A valley that contains, and has been formed by, a stream. EcoLexicon:gully EcoLexicon:ravine FTT:159 FTT:420 Geonames:H.RVN TGN:21427 ENVO gullie ravine ENVO:00000129 stream valley A valley that contains, and has been formed by, a stream. MA:ma ravine Geonames:feature ravine USGS:SDTS An environmental material which is 1) composed primarily of soil or rock and included ice or organic material and 2) at or below the freezing point of water for two or more years. LTER:408 https://en.wikipedia.org/wiki/Permafrost envoPolar Ice is not always present, as may be in the case of nonporous bedrock, but it frequently occurs and it may be in amounts exceeding the potential hydraulic saturation of the ground material. permafrost An environmental material which is 1) composed primarily of soil or rock and included ice or organic material and 2) at or below the freezing point of water for two or more years. https://en.wikipedia.org/wiki/Permafrost The sloping margin of a watercourse, serving to confine it to its natural channel. mount EcoLexicon:bank FTT:195 SWEETRealm:Bank TGN:21466 ENVO shore ENVO:00000141 bank The sloping margin of a watercourse, serving to confine it to its natural channel. MA:ma mount USGS:SDTS shore USGS:SDTS The sloping margin of a stream, serving to confine it to its natural channel. FTT:195 FTT:196 Geonames:H.BNKR https://en.wikipedia.org/wiki/Stream_bank ENVO bank (hydrographic) ENVO:00000142 stream bank The sloping margin of a stream, serving to confine it to its natural channel. MA:ma bank (hydrographic) ADL:FTT The sloping margin of a river, serving to confine it to its natural channel. TGN:21155 https://en.wikipedia.org/wiki/River_bank riverbank ENVO ENVO:00000143 river bank The sloping margin of a river, serving to confine it to its natural channel. MA:ma riverbank Getty:TGN A landform elevated above the surrounding area. elevation LTER:177 SWEETRealm:Elevation https://en.wikipedia.org/wiki/Elevation elevated landform A landform elevated above the surrounding area. MA:ma A part of an astronomical body which is primarily composed of a continuous volume of solid material, shaped by one or more environmental processes. EcoLexicon:landform EcoLexicon:landforms FTT:754 FTT:96 SWEETRealm:Landform TGN:21400 TGN:21401 geological feature landform physiographic feature solid astronomical body part A part of an astronomical body which is primarily composed of a continuous volume of solid material, shaped by one or more environmental processes. https://en.wikipedia.org/wiki/Landform geological feature ADL:FTT Broken rock that appears at the bottom of crags, mountain cliffs or valley shoulders. EcoLexicon:scree FTT:1078 FTT:96 Geonames:T.TAL SWEETRealm:Talus TGN:21508 https://en.wikipedia.org/wiki/Scree ENVO TALUS talus slope ENVO:00000194 scree Broken rock that appears at the bottom of crags, mountain cliffs or valley shoulders. https://en.wikipedia.org/wiki/Scree TALUS USGS:SDTS talus slope Geonames:feature talus slope Getty:TGN An opening, or rupture, in the Earth's surface or crust, which allows hot, molten rock, ash and gases to escape from deep below the surface. mount EcoLexicon:volcano FTT:592 Geonames:T.VLC TGN:21406 https://en.wikipedia.org/wiki/Volcano volcano An opening, or rupture, in the Earth's surface or crust, which allows hot, molten rock, ash and gases to escape from deep below the surface. https://en.wikipedia.org/wiki/Volcano mount USGS:SDTS A valley that contains, or contained, a glacier and was formed by glacial activity. Typically U-shaped in cross-section. https://en.wikipedia.org/wiki/Glacial_valley ENVO valley ENVO:00000248 envoPolar glacial valley A valley that contains, or contained, a glacier and was formed by glacial activity. Typically U-shaped in cross-section. MA:ma valley USGS:SDTS Area covered with low-growing or stunted perennial vegetation and usually not mixed with trees. FTT:1191 FTT:262 FTT:374 FTT:473 FTT:792 FTT:991 Geonames:V.SCRB SWEETRealm:Scrub TGN:21644 TGN:21652 https://en.wikipedia.org/wiki/Scrubland scrubland bush chaparal area heath scrub shrubland scrubland area Area covered with low-growing or stunted perennial vegetation and usually not mixed with trees. ADL:FTT scrubland Geonames:feature bush ADL:FTT bush Getty:TGN chaparal area ADL:FTT heath ADL:FTT scrub USGS:SDTS shrubland ADL:FTT shrubland USGS:SDTS A landform sunken or depressed below the surrounding area. Clarify that this pertains to the planetary crust and create superclass for general topological depressions. https://github.com/EnvironmentOntology/envo/issues/486 depression EcoLexicon:depression FTT:175 FTT:215 FTT:216 Geonames:T.DPR Geonames:T.PAN Geonames:T.PANS SWEETRealm:Depression TGN:21454 TGN:21497 TGN:21521 barrier basin depression non tidal basin pan pan (geologic) pans tidal basin depressed landform A landform sunken or depressed below the surrounding area. https://en.wikipedia.org/wiki/Depression_%28geology%29 barrier basin USGS:SDTS depression Geonames:feature non tidal basin USGS:SDTS pan Geonames:feature pan Getty:TGN pan (geologic) ADL:FTT pans Geonames:feature tidal basin USGS:SDTS A zone beneath the land surface and above the level of permanent groundwater or phreatic zone in which water has a hydraulic head less than atmospheric pressure and is retained by a combination of adhesion and capillary action. unsaturated zone https://en.wikipedia.org/wiki/ If the vadose zone envelops soil, the water contained therein is termed soil moisture. In fine grained soils, capillary action can cause the pores of the soil to be fully saturated above the water table at a pressure less than atmospheric. In such soils, therefore, the unsaturated zone is the upper section of the vadose zone and not identical to it. vadose zone A zone beneath the land surface and above the level of permanent groundwater or phreatic zone in which water has a hydraulic head less than atmospheric pressure and is retained by a combination of adhesion and capillary action. http://wasg.iinet.net.au/terminol.html https://en.wikipedia.org/wiki/Vadose_zone unsaturated zone https://en.wikipedia.org/wiki/Vadose_zone A compound astronomical body part which is located beneath the land surface and in which all interstices are filled with water that has a hydraulic head greater than atmospheric pressure due to the weight of overlying groundwater. https://en.wikipedia.org/wiki/Phreatic_zone zone of saturation phreatic zone A compound astronomical body part which is located beneath the land surface and in which all interstices are filled with water that has a hydraulic head greater than atmospheric pressure due to the weight of overlying groundwater. http://wasg.iinet.net.au/terminol.html https://en.wikipedia.org/wiki/Phreatic_zone zone of saturation https://en.wikipedia.org/wiki/Phreatic_zone A mass of solid material which is composed primarily of rock. FTT:1010 FTT:145 Geonames:T.RK Geonames:T.RKS TGN:21444 piece of rock A particle which 1) is composed primarily of and derived from rock or mineral sources and 2) is or was part of a portion of sand. grain of sand granule of sand sand granule In general, sand grains are larger than those of silt, but finer than those of gravel. particle of sand A particle which 1) is composed primarily of and derived from rock or mineral sources and 2) is or was part of a portion of sand. A piece of rock which is between two and 64 millimetres in length along its largest dimension. Arguably, this could be placed in the "particle" hierarchy, but is usually considered too large in everyday semantics. piece of gravel A piece of rock which is between two and 64 millimetres in length along its largest dimension. https://en.wikipedia.org/wiki/Gravel A particle which 1) is primarily composed of quartz or feldspar and 2) is or was part of a portion of silt. grain of silt granule of silt The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. particle of silt The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. grain of desert sand A depressed landform which physically confines a river, slough or ocean strait, and which consists of a bed and banks. We need a more general channel definition, the current is only for water course channels. We need to refactor the semantics of channels, tunnels and conduits, in a similar way to uberon anatomical channels http://purl.obolibrary.org/obo/UBERON_0004111. See https://github.com/EnvironmentOntology/envo/issues/147 EcoLexicon:channel EcoLexicon:sea_channel FTT:1192 FTT:233 FTT:461 FTT:462 FTT:463 FTT:464 FTT:465 FTT:466 FTT:468 FTT:469 FTT:470 Geonames:H.CHN Geonames:U.SCNU Geonames:U.SCSU SWEETRealm:Channel TGN:21137 TGN:23451 channel of a watercourse A depressed landform which physically confines a river, slough or ocean strait, and which consists of a bed and banks. https://en.wikipedia.org/wiki/Channel_%28geography%29 A channel of a watercourse which contains lake water. FTT:233 FTT:464 Geonames:H.CHNL TGN:21185 envoPolar lake channel 2 A biome is an ecosystem to which resident ecological communities have evolved adaptations. LTER:809 EcoLexicon:biome major habitat type EcosytemType There has been some concern raised (see Issue #143) about the usefulness of the assertion that organisms have evolved within a given biome. They may have evolved adaptations elsewhere and demonstrating one or the other is often not feasible. Consider relabelling to "environmental system determined by an ecological community" or similar. biome A biome is an ecosystem to which resident ecological communities have evolved adaptations. DOI:10.1186/2041-1480-4-43 https://en.wikipedia.org/wiki/Biome LTER:809 https://vocab.lternet.edu/vocab/vocab/index.php?tema=809&/biomes major habitat type WWF:Biome EcosytemType NASA:earthrealm A biome which is primarily or completely situated on a landmass. LTER:798 SPIRE:Terrestrial terrestrial realm terrestrial biome A biome which is primarily or completely situated on a landmass. https://en.wikipedia.org/wiki/Biome#Terrestrial_biomes An aquatic biome which is determined by a marine water body. SPIRE:Marine marine realm envoPolar This biome includes open-ocean and unprotected coastal ecosystems, characterized by exposure to wave action, tidal fluctuation, and ocean currents as well as systems that largely resemble these. Water in the marine biome is generally within the salinity range of seawater: 30 to 38 ppt. marine biome An aquatic biome which is determined by a marine water body. ISBN:978-0-618-45504-1 MA:ma https://en.wikipedia.org/wiki/Ocean A facility, permanent or temporary, on land, in air, space or water, where scientific research or measurements can be undertaken. research facility A facility, permanent or temporary, on land, in air, space or water, where scientific research or measurements can be undertaken. MA:ma The portion of the ground surface which lies below water. BOTTOM EcoLexicon:bed FTT:804 SWEETRealm:Bottom https://en.wikipedia.org/wiki/Stream_bed submerged bed The portion of the ground surface which lies below water. USGS:SDTS BOTTOM USGS:SDTS Incorporated populated place. urban area EcoLexicon:city FTT:430 FTT:483 FTT:484 FTT:485 SWEETRealm:City TGN:83020 TGN:83040 TGN:83043 https://en.wikipedia.org/wiki/City ENVO ENVO:00000856 city Incorporated populated place. ADL:FTT urban area ADL:FTT An aquatic biome which is determined by a body of freshwater. SPIRE:Freshwater freshwater realm envoPolar freshwater biome An aquatic biome which is determined by a body of freshwater. MA:ma A rock is a naturally occurring solid aggregate of one or more minerals or mineraloids. EcoLexicon:rock FTT:1010 FTT:145 Geonames:T.RK Geonames:T.RKS SWEETRealm:Rock TGN:21444 https://en.wikipedia.org/wiki/Rock From https://en.wikipedia.org/wiki/ [A mineral] is different from a rock, which can be an aggregate of minerals or non-minerals and does not have a specific chemical composition. The exact definition of a mineral is under debate, especially with respect to the requirement a valid species be abiogenic, and to a lesser extent with regards to it having an ordered atomic structure. rock A rock is a naturally occurring solid aggregate of one or more minerals or mineraloids. MA:ma https://en.wikipedia.org/wiki/Rock_(geology) The outflow of water from a mine. ENVO acid and metalliferous drainage acid rock drainage ENVO:00001996 mine drainage The outflow of water from a mine. MA:ma acid and metalliferous drainage acid rock drainage A mine drainage with an acidic pH. https://en.wikipedia.org/wiki/Acid_mine_drainage acid rock drainage acid mine drainage A mine drainage with an acidic pH. MA:ma acid rock drainage https://en.wikipedia.org/wiki/Acid_mine_drainage An environmental material which is primarily composed of minerals, varying proportions of sand, silt, and clay, organic material such as humus, interstitial gases, liquids, and a broad range of resident micro- and macroorganisms. Soil is an environmental material which is primarily composed of minerals, varying proportions of sand, silt, and clay, organic material such as humus, gases, liquids, and a broad range of resident micro- and macroorganisms. The various 'has part' and 'has quality' relations may not hold true for all soils; however, I have yet to find counter examples. Require input from a pedologist or similar. [pbuttigieg] regolith LTER:535 SPIRE:Soil SWEETRealm:Soil https://en.wikipedia.org/wiki/Soil 'In engineering terms, soil is referred to as regolith, or loose rock material that lies above the 'solid geology'. Soil is commonly referred to as "earth" or "dirt"; technically, the term "dirt" should be restricted to displaced soil.' https://en.wikipedia.org/wiki/Soil " The upper limit of soil is the boundary between soil and air, shallow water, live plants, or plant materials that have not begun to decompose. Areas are not considered to have soil if the surface is permanently covered by water too deep (typically more than 2.5 meters) for the growth of rooted plants. The lower boundary that separates soil from the nonsoil underneath is most difficult to define. Soil consists of horizons near the Earth's surface that, in contrast to the underlying parent material, have been altered by the interactions of climate, relief, and living organisms over time. Commonly, soil grades at its lower boundary to hard rock or to earthy materials virtually devoid of animals, roots, or other marks of biological activity. For purposes of classification, the lower boundary of soil is arbitrarily set at 200 cm." Soil taxonomy, 2nd Ed., quoted in http://www.nrcs.usda.gov/wps/portal/nrcs/detail/soils/edu/?cid=nrcs142p2_054280 soil An environmental material which is primarily composed of minerals, varying proportions of sand, silt, and clay, organic material such as humus, interstitial gases, liquids, and a broad range of resident micro- and macroorganisms. https://en.wikipedia.org/wiki/Soil A significant accumulation of water which is part of a marine biome. body of marine water marine waterbody Ideas like "significant" are fuzzy and need to be modelled more accurately. The definition is a candidate for review. marine water body A solid astronomical body part which is part of the planetary surface between the peak of an elevation or the bottom of a depression and relatively flat surrounding land. EcoLexicon:slope SWEETRealm:Slope https://en.wikipedia.org/wiki/Slope flank side slope A solid astronomical body part which is part of the planetary surface between the peak of an elevation or the bottom of a depression and relatively flat surrounding land. MA:ma Water that has been adversely affected in quality by anthropogenic influence. EcoLexicon:waste_water SWEETRealm:Wastewater https://en.wikipedia.org/wiki/Waste_water ENVO ENVO:00002001 waste water Water that has been adversely affected in quality by anthropogenic influence. https://en.wikipedia.org/wiki/Wastewater FOODON:00001002 https://en.wikipedia.org/wiki/Food ENVO ENVO:00002002 The FAO has the following definition for "food": "Any substance, whether processed, semi-processed, or raw, which is intended for human consumption, and includes drink, chewing gum and any substance which has been used in the manufacture, preparation or treatment of "food" but does not include cosmetics or tobacco or substances used only as drugs." (Nutrition Division/Meeting Programming and Documentation Service, FAO, 2013 (MI198) adopted from Codex Alimentarius Commission, Procedural Manual, Twentieth edition, 2011 (ftp://ftp.fao.org/codex/Publications/ProcManuals/Manual_20e.pdf). ) obsolete food product true An excreta material which is composed primarily of feces, an excreta consisting of waste products expelled from an animal's digestive tract through the anus (or cloaca) during defecation. EcoLexicon:drop SPIRE:Dung SWEETRealm:Drop faeces material feces material droppings frass pellet ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. This is distinct from classes such as http://purl.obolibrary.org/obo/UBERON_0001988 in that it refers to the environmental material composed primarily of feces rather than 'just' feces. fecal material An excreta material which is composed primarily of feces, an excreta consisting of waste products expelled from an animal's digestive tract through the anus (or cloaca) during defecation. https://en.wikipedia.org/wiki/Feces The mixture of gases (roughly (by molar content/volume: 78% nitrogen, 20.95% oxygen, 0.93% argon, 0.038% carbon dioxide, trace amounts of other gases, and a variable amount (average around 1%) of water vapor) that surrounds the planet Earth. EcoLexicon:air LTER:18 SWEETRealm:Air https://en.wikipedia.org/wiki/Air envoPolar air The mixture of gases (roughly (by molar content/volume: 78% nitrogen, 20.95% oxygen, 0.93% argon, 0.038% carbon dioxide, trace amounts of other gases, and a variable amount (average around 1%) of water vapor) that surrounds the planet Earth. https://en.wikipedia.org/wiki/Air An environmental material primarily composed of dihydrogen oxide in its liquid form. water EcoLexicon:water LTER:617 https://en.wikipedia.org/wiki/Water liquid water An environmental material primarily composed of dihydrogen oxide in its liquid form. MA:ma Sediment is an environmental substance comprised of any particulate matter that can be transported by fluid flow and which eventually is deposited as a layer of solid particles on the bedor bottom of a body of water or other liquid. EcoLexicon:sediment EcoLexicon:sedimentation LTER:492 LTER:493 SWEETRealm:Sediment https://en.wikipedia.org/wiki/Sediment envoPolar It is recommended to use a combination of sediment terms to describe a more specific sediment type. sediment Sediment is an environmental substance comprised of any particulate matter that can be transported by fluid flow and which eventually is deposited as a layer of solid particles on the bedor bottom of a body of water or other liquid. https://en.wikipedia.org/wiki/Sediment Minute solid particles with diameters less than 500 micrometers. Occurs in and may be deposited from, the atmosphere. Particulate environmental material with diameters less than 500 micrometers. Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible. EcoLexicon:dust SWEETRealm:Dust https://en.wikipedia.org/wiki/Dust envoPolar Dust occurs in and may be deposited from the atmosphere. dust Particulate environmental material with diameters less than 500 micrometers. https://en.wikipedia.org/wiki/Dust Water which contains a significant concentration of dissolved salts. EcoLexicon:saltwater SWEETRealm:SalineWater SWEETRealm:SaltWater https://en.wikipedia.org/wiki/Saline_water salt water The threshold salt concentration for classifying water as saline varies, but typically begins at about 1,000 to 3,000 parts salt per million parts water or 0.1–0.3% salt by weight. saline water Water which has a low concentration of dissolved solutes, particularly that of sodium chloride. EcoLexicon:fresh_water LTER:216 SWEETRealm:FreshWater https://en.wikipedia.org/wiki/Fresh_water freshwater sweet water envoEmpo envoPolar The lower bound of solute concentration required for water to be considered freshwater is variable, but is always less than that of seawater, and often cited as less than 1 gram of solutes per 1 litre of water. fresh water An igneous rock that results from magma reaching the surface either as lava or fragmental ejecta. EcoLexicon:volcanic_rock SWEETRealm:VolcanicRock https://en.wikipedia.org/wiki/Volcanic_rock ENVO ENVO:00002015 Due to the general suggestion that volcanic rock simply comes from a volcanic process, it's not immediately clear whether this is interchangeable with igneous rock. volcanic rock An igneous rock that results from magma reaching the surface either as lava or fragmental ejecta. https://en.wikipedia.org/wiki/Rock_%28geology%29 A rock formed by deposition of either clastic sediments, organic matter, or chemical precipitates (evaporites), followed by compaction of the particulate matter and cementation during diagenesis. EcoLexicon:sedimentary_rock SWEETRealm:SedimentaryRock https://en.wikipedia.org/wiki/Sedimentary_rock ENVO ENVO:00002016 sedimentary rock A rock formed by deposition of either clastic sediments, organic matter, or chemical precipitates (evaporites), followed by compaction of the particulate matter and cementation during diagenesis. https://en.wikipedia.org/wiki/Rock_%28geology%29 A rock formed by subjecting any rock type (including previously-formed metamorphic rock) to different temperature and pressure conditions than those in which the original rock was formed. These temperatures and pressures are always higher than those at the Earth's surface and must be sufficiently high so as to change the original minerals into other mineral types or else into other forms of the same minerals (e.g. by recrystallisation). EcoLexicon:metamorphic_rock SWEETRealm:MetamorphicRock https://en.wikipedia.org/wiki/Metamorphic_rock ENVO ENVO:00002017 metamorphic rock A rock formed by subjecting any rock type (including previously-formed metamorphic rock) to different temperature and pressure conditions than those in which the original rock was formed. These temperatures and pressures are always higher than those at the Earth's surface and must be sufficiently high so as to change the original minerals into other mineral types or else into other forms of the same minerals (e.g. by recrystallisation). https://en.wikipedia.org/wiki/Rock_%28geology%29 Wastewater that is contaminated with feces or urine, SWEETRealm:Sewage https://en.wikipedia.org/wiki/Sewage ENVO ENVO:00002018 sewage Wastewater that is contaminated with feces or urine, https://en.wikipedia.org/wiki/Wastewater A biome which is determined by a water body and which has ecological climax communities adapted to life in or on water. LTER:41 aquatic biome EcoLexicon:wood LTER:637 SWEETRealm:Wood https://en.wikipedia.org/wiki/Wood ENVO ENVO:00002040 wood EcoLexicon:wastewater_treatment_plant https://en.wikipedia.org/wiki/Wastewater_treatment_plant ENVO ENVO:00002043 wastewater treatment plant The residual semi-solid material left from domestic or industrial processes, or wastewater treatment processes. EcoLexicon:sludge https://en.wikipedia.org/wiki/Sludge sludge The residual semi-solid material left from domestic or industrial processes, or wastewater treatment processes. https://en.wikipedia.org/wiki/Sludge Sediment characterised by the absence of oxygen. anoxic sediment ENVO ENVO:00002045 envoPolar anaerobic sediment Sediment characterised by the absence of oxygen. ORCID:0000-0002-4366-3088 ENVO ENVO:00002057 raw primary sludge ENVO ENVO:00002058 secondary sludge A treated form of sludge, sometimes used as a fertilizer in agriculture. https://en.wikipedia.org/wiki/Biosolids ENVO ENVO:00002059 biosolids A treated form of sludge, sometimes used as a fertilizer in agriculture. https://en.wikipedia.org/wiki/Sludge A solid or gel in motor oil caused by the oil gelling or solidifying, usually at temperatures lower than 100deg C. https://en.wikipedia.org/wiki/Oil_sludge ENVO ENVO:00002060 oil sludge A solid or gel in motor oil caused by the oil gelling or solidifying, usually at temperatures lower than 100deg C. https://en.wikipedia.org/wiki/Oil_sludge Mine drainage which is formed as a result of the mining of gold. gold mine drainage Sediment which has increased levels of one or more chemical compounds. chemically enriched sediment Organically enriched sediment which has increased levels of petroleum. petroleum enriched sediment A portion of contaminated soil is a portion of soil with elevated levels of some contaminant. ENVO ENVO:00002116 "contaminant" is more of a disposition - any material entity can be a contaminant in particular circumstances. contaminated soil Soil which has elevated concentrations of creosote. creosote contaminated soil Mud which has elevated concentrations of arsenic. arsenic-rich mud ENVO ENVO:00002127 Revise adjacent to. Consider sampled stream sediment. Dry stream sediment. stream sediment ENVO ENVO:00002129 anaerobic sludge Mud which has no or neglible concentrations of dissolved oxygen. anoxic mud anaerobic mud ENVO ENVO:00002134 anaerobic stream sediment https://en.wikipedia.org/wiki/Treated_wood ENVO ENVO:00002135 treated wood The liquid produced when water percolates through any permeable material. It can contain either dissolved or suspended material, or usually both. https://en.wikipedia.org/wiki/Leachate ENVO ENVO:00002141 leachate The liquid produced when water percolates through any permeable material. It can contain either dissolved or suspended material, or usually both. https://en.wikipedia.org/wiki/Leachate ENVO ENVO:00002142 borax leachate Soil which has elevated concentrations of chromate. chromate contaminated soil Soil which has elevated concentrations of xylene. xylene contaminated soil Water which has physicochemical properties that have been determined by the processes occuring in a sea or ocean. When we have more classes representing the various processes which make seawater seawater, we can further axiomatise this class. EcoLexicon:sea_water LTER:701 SWEETRealm:SeaWater https://en.wikipedia.org/wiki/Sea_water ocean water seawater This definition refers to water that is actually in a sea or ocean. This water may have a wide range of salinity levels. sea water ENVO ENVO:00002167 platinum mine https://en.wikipedia.org/wiki/Gold_mine ENVO ENVO:00002168 gold mine https://en.wikipedia.org/wiki/Coal_mine ENVO ENVO:00002169 coal mine A hospital is a building in which health care services are provided by specialized staff and equipment. https://en.wikipedia.org/wiki/Hospital hospital A hospital is a building in which health care services are provided by specialized staff and equipment. https://en.wikipedia.org/wiki/Hospital ENVO ENVO:00002176 contaminated sludge ENVO ENVO:00002177 1,4-dioxane contaminated sludge Organically enriched sediment which has increased levels of naphthalene. naphthalene enriched sediment Organically enriched sediment which has increased levels of nitrobenzene. nitrobenzene enriched sediment EcoLexicon:water_pollution https://en.wikipedia.org/wiki/Contaminated_water polluted water ENVO ENVO:00002186 contaminated water ENVO ENVO:00002193 pulp-bleaching waste water Chemically-enriched sediment which has increased levels of organic compounds. organically enriched sediment Chemically-enriched sediment which has increased levels of inorganic compounds. inorganically enriched sediment coal mine waste ENVO coal refuse ENVO:00002206 coal mine waste material self-heating coal mine waste ENVO ENVO:00002207 self-heating coal mine waste material A power plant is a building which contains one or more generators which convert mechanical energy into electrical energy through the relative motion between a magnetic field and a conductor. The energy source harnessed to turn the generator varies widely. SWEETRealm:PowerPlant https://en.wikipedia.org/wiki/Power_plant generating plant generating station power station powerhouse ENVO ENVO:00002214 power plant A power plant is a building which contains one or more generators which convert mechanical energy into electrical energy through the relative motion between a magnetic field and a conductor. The energy source harnessed to turn the generator varies widely. https://en.wikipedia.org/wiki/Power_station A geothermal power plant is a power plant which uses heat generated by the decay of radioactive isotopes in the Earth's mantle and crust as well as primordial heat left over from the formation of the Earth to drive its generators. SWEETRealm:GeothermalPowerPlant https://en.wikipedia.org/wiki/Geothermal_power_plant ENVO ENVO:00002215 geothermal power plant A geothermal power plant is a power plant which uses heat generated by the decay of radioactive isotopes in the Earth's mantle and crust as well as primordial heat left over from the formation of the Earth to drive its generators. https://en.wikipedia.org/wiki/Earth's_internal_heat_budget https://en.wikipedia.org/wiki/Geothermal_energy A building in which a business presents a selection of goods and offers to trade or sell them to customers for money or other goods. https://en.wikipedia.org/wiki/Shopping retail shop retail store retailer shop A building in which a business presents a selection of goods and offers to trade or sell them to customers for money or other goods. https://en.wikipedia.org/wiki/Shopping ENVO ENVO:00002228 pond water Soil which is part of an ecosystem used for agricultural activities. agricultural soil A portion of soil which is found in a forested area. forest soil A portion of soil which is found in a garden. garden soil A material which is not the desired output of a process and which is typically the input of a process which removes it from its producer (e.g. a disposal process). This seems more like a role than a material. Anything can be waste. Thus, a "waste" role or disposition will be created and this class can then be populated by inference: any environmental material which has [role,disposition] waste will be considered a waste material. EcoLexicon:waste SWEETRealm:Waste https://en.wikipedia.org/wiki/Waste ENVO ENVO:00002264 waste material chicken breeding waste ENVO chicken yard waste ENVO:00002266 chicken breeding waste material Industrial wastes are liquid, solid and gaseous wastes originating from the manufacture of specific products. This will become a defined class, with subclasses added through inference based on material having a 'waste role' and being associated with industrial entities. industrial waste ENVO ENVO:00002267 industrial waste material Industrial wastes are liquid, solid and gaseous wastes originating from the manufacture of specific products. ISBN:978-92-1-161386-5 http://stats.oecd.org/glossary/detail.asp?ID=1340 A nuclear power plant is a power plant which uses heat generated by a radioactive decay in a nuclear reactor to convert water into steam in order to drive turbines in electrical generators through pressure. https://en.wikipedia.org/wiki/Nuclear_power_plant ENVO ENVO:00002271 nuclear power plant A nuclear power plant is a power plant which uses heat generated by a radioactive decay in a nuclear reactor to convert water into steam in order to drive turbines in electrical generators through pressure. https://en.wikipedia.org/wiki/Nuclear_power_plant WWTP waste treatment plant Fluvisols accommodate genetically young, azonal soils in alluvial deposits. https://en.wikipedia.org/wiki/Fluvisols fluvisol Fluvisols accommodate genetically young, azonal soils in alluvial deposits. FAO:http://fao.org/ag/agl/agll/wrb/doc/wrb2006final.pdf Stagnosols are soils with a perched water table showing redoximorphic features caused by surface water. Stagnosols are periodically wet and mottled in the topsoil and subsoil, with or without concretions and/or bleaching. ENVO ENVO:00002274 stagnosol Stagnosols are soils with a perched water table showing redoximorphic features caused by surface water. Stagnosols are periodically wet and mottled in the topsoil and subsoil, with or without concretions and/or bleaching. FAO:http://fao.org/ag/agl/agll/wrb/doc/wrb2006final.pdf Technosols are soils whose properties and pedogenesis are dominated by their technical origin. They contain a significant amount of artefacts (something in the soil recognizably made or extracted from the earth by humans), or are sealed by technic hard rock (material created by humans, having properties unlike natural rock). They include soils from wastes (landfills, sludge, cinders, mine spoils and ashes), pavements with their underlying unconsolidated materials, soils with geomembranes and constructed soils in human-made materials. ENVO ENVO:00002275 technosol Technosols are soils whose properties and pedogenesis are dominated by their technical origin. They contain a significant amount of artefacts (something in the soil recognizably made or extracted from the earth by humans), or are sealed by technic hard rock (material created by humans, having properties unlike natural rock). They include soils from wastes (landfills, sludge, cinders, mine spoils and ashes), pavements with their underlying unconsolidated materials, soils with geomembranes and constructed soils in human-made materials. FAO:http://fao.org/ag/agl/agll/wrb/doc/wrb2006final.pdf This will become a defined class, with subclasses added through inference based on material having a 'waste role' and being associated with animal metabolism. animal waste SWEETRealm:AnimalWaste https://en.wikipedia.org/wiki/Animal_waste ENVO ENVO:00002276 animal waste material Hay is grass, legumes or other herbaceous plants that have been cut, dried, and stored for use as animal fodder, particularly for grazing livestock such as cattle, horses, goats, and sheep. https://en.wikipedia.org/wiki/Hay ENVO ENVO:00002869 hay Hay is grass, legumes or other herbaceous plants that have been cut, dried, and stored for use as animal fodder, particularly for grazing livestock such as cattle, horses, goats, and sheep. https://en.wikipedia.org/wiki/Hay A natural building material mode from sand, clay, water, and some kind of fibrous or organic material (sticks, straw, and/or manure). adobe A natural building material mode from sand, clay, water, and some kind of fibrous or organic material (sticks, straw, and/or manure). https://en.wikipedia.org/wiki/Adobe The biomass remaining after sugarcane stalks are crushed to extract their juice. https://en.wikipedia.org/wiki/Bagasse sugarcane bagasse bagasse The biomass remaining after sugarcane stalks are crushed to extract their juice. https://en.wikipedia.org/wiki/Bagasse This should probably be merged with biological waste material. organic waste https://en.wikipedia.org/wiki/Organic_waste ENVO ENVO:00002873 organic waste material A manufactuered product which is capable of removing heat and controlling the humidity of the air within a site. A/C A/C unit air conditioner air conditioning unit A manufactuered product which is capable of removing heat and controlling the humidity of the air within a site. Soil which has elevated concentrations of oil. oil contaminated soil Particulate environmental material which 1) is composed primarily of clay particles, with only minor proportions of other materials, 2) demonstrates plasticity when wet, and 3) is capable of hardening when dried or fired. Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible. EcoLexicon:clay SWEETRealm:Clay This definition is intentionally ambiguous to support the multiple thresholds set by different authorities.The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. Similar mixtures with greater than 40% clay are often considered clay soils. clay Particulate environmental material which 1) is composed primarily of clay particles, with only minor proportions of other materials, 2) demonstrates plasticity when wet, and 3) is capable of hardening when dried or fired. https://en.wikipedia.org/wiki/Clay This definition is intentionally ambiguous to support the multiple thresholds set by different authorities.The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. Similar mixtures with greater than 40% clay are often considered clay soils. An oil which 1) is liquid at room temperature (approximately 20 degrees Celsius) 2) is intended to be burned in a furnace or boiler for the generation of heat or used in an engine for the generation of power, 3) is obtained from petroleum distillation, either as a distillate or a residue, 4) composed of long hydrocarbon chains, particularly alkanes, cycloalkanes and aromatics. furnace oil heavy oil marine fuel Oils having a flash point of approximately 42 degrees Celsius and oils burned in cotton or wool-wick burners are not typically considered fuel oils. The term fuel oil is also used in a stricter sense to refer only to the heaviest commercial fuel that can be obtained from crude oil, i.e., heavier than gasoline and naphtha. fuel oil An oil which 1) is liquid at room temperature (approximately 20 degrees Celsius) 2) is intended to be burned in a furnace or boiler for the generation of heat or used in an engine for the generation of power, 3) is obtained from petroleum distillation, either as a distillate or a residue, 4) composed of long hydrocarbon chains, particularly alkanes, cycloalkanes and aromatics. https://en.wikipedia.org/wiki/Fuel_oil Oils having a flash point of approximately 42 degrees Celsius and oils burned in cotton or wool-wick burners are not typically considered fuel oils. The term fuel oil is also used in a stricter sense to refer only to the heaviest commercial fuel that can be obtained from crude oil, i.e., heavier than gasoline and naphtha. https://en.wikipedia.org/wiki/Fuel_oil A naturally occurring flammable liquid consisting of a complex mixture of hydrocarbons of various molecular weights and other liquid organic compounds, that are found in geologic formations beneath the planetary surfaces. https://en.wikipedia.org/wiki/Petroleum crude oil petroleum A naturally occurring flammable liquid consisting of a complex mixture of hydrocarbons of various molecular weights and other liquid organic compounds, that are found in geologic formations beneath the planetary surfaces. https://en.wikipedia.org/wiki/Petroleum A nonpolar, hydrophobic, and lipophilic material which is a viscous liquid at ambient temperatures (about 20 degrees Celsius) or slightly warmer. EcoLexicon:oil oil A nonpolar, hydrophobic, and lipophilic material which is a viscous liquid at ambient temperatures (about 20 degrees Celsius) or slightly warmer. https://en.wikipedia.org/wiki/Oil A fermented, high-moisture forage that can be fed to ruminants. https://en.wikipedia.org/wiki/Silage ENVO ENVO:00003030 silage A fermented, high-moisture forage that can be fed to ruminants. https://en.wikipedia.org/wiki/Silage Manure which is derived from the waste products of animals. Organic matter, mostly animal feces, that is used as organic fertilizer in agriculture. manure This is interesting in that the "role" aspect of "waste" is (or can be) replaced by another role "fertilizer". Thus, the positioning of "manure" under waste may not be totally correct. animal manure CC BY-SA 2.0 Adam Ward ENVO ENVO:00003032 fresh animal manure Drinking water is water which may be consumed by humans with no adverse effects on their health. water http://langual.org EcoLexicon:drinking_water SWEETRealm:DrinkingWater http://www.langual.org/langual_thesaurus.asp?termid=B1217 https://en.wikipedia.org/wiki/Drinking_water potable water ENVO potable water ENVO:00003064 LanguaL term definition: Potable water. LanguaL curation note: Water is indexed as a food source if it is the only ingredient or if the product is a soft drink. drinking water https://en.wikipedia.org/wiki/Distilled_water ENVO ENVO:00003065 distilled water A material entity that has been processed by humans or their technology in any way, including intermediate products as well as final products. manufactured good manufactured product A material entity that has been processed by humans or their technology in any way, including intermediate products as well as final products. https://en.wikipedia.org/wiki/Manufactured_product A function realised by an environmental material when used to bind material entities together. paste https://en.wikipedia.org/wiki/Glue adhesive mucilage This sounds more like a role than a material, per se. glue A function realised by an environmental material when used to bind material entities together. https://en.wikipedia.org/wiki/Glue This sounds more like a role than a material, per se. ORCID:0000-0002-4366-3088 Soil which has elevated concentrations of metals. metal contaminated soil A portion of enriched soil is a portion of soil with elevated levels of some material entity. This could be demoted to an inferred class if issues with double inheritance arise. enriched soil A portion of trimethylamine enriched soil is a portion of soil with elevated levels of trimethylamine. ENVO ENVO:00003084 trimethylamine enriched soil A portion of acetamide enriched soil is a portion of soil with elevated levels of acetamide. ENVO ENVO:00003087 acetamide enriched soil A portion of testosterone enriched soil is a portion of soil with elevated levels of testosterone. ENVO ENVO:00003089 testosterone enriched soil Tap water is water supplied to a tap (valve). Its uses include drinking, washing, cooking, and the flushing of toilets https://en.wikipedia.org/wiki/Tap_water http://langual.org SUBSET_SIREN:F7286 http://www.langual.org/langual_thesaurus.asp?termid=B3323 https://en.wikipedia.org/wiki/Tap_water ENVO city water municipal water running water table water town water ENVO:00003096 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) tap water An industrial building is a building within which goods are produced and, optionally, stored or within which services are rendered. It's possible that this will become an inferred class in the future. The United Nations' International Standard Industrial Classification should be referred to when expanding this branch. ISIC can also be used to identify processes. See http://unstats.un.org/unsd/cr/registry/regcst.asp?Cl=27&Lg=1. industrial building An industrial building is a building within which goods are produced and, optionally, stored or within which services are rendered. https://en.wikipedia.org/wiki/Industry Soil which has little to no water content and in which minerals and other soluble chemical entities have either bonded or become adsorbed to sold particles due to insufficient water availability. dry soil A portion of soil which is part of a cropland or a rangeland biome. farm soil A portion of soil which is found in a grassland. grassland soil A portion of urea enriched soil is a portion of soil with elevated levels of urea. ENVO ENVO:00005753 urea enriched soil Soil which is part of an agricultural field. field soil A portion of chloropicrin enriched soil is a portion of soil with elevated levels of chloropicrin. ENVO ENVO:00005762 chloropicrin enriched soil Soil which has, as a part, a portion of either fresh or processed animal manure. manured soil Soil which is composed of a large proportion of mud, thus having properties resembling mud. muddy soil Soil which is part of some elevated land. upland soil Soil which is part of some elevated land. Water which has physicochemical properties determined by processes which occur beneath the planetary crust. SWEETRealm:UndergroundWater subterranean water envoPolar This class references any water that's under a planetary surface. For water that is in an aquifer, see "groundwater" (ENVO:01001004). Previously, this class included both. underground water Mud which is part of a marine ecosystem. envoPolar marine mud Sand which is part of a desert. desert sand A portion of environmental material is a fiat object part which forms the medium or part of the medium of an environmental system. environmental portion of environmental material Everything under this parent must be a mass noun. All subclasses are to be understood as being composed primarily of the named entity, rather than restricted to that entity. For example, "ENVO:water" is to be understood as "environmental material composed primarly of some CHEBI:water". This class is currently being aligned to the Basic Formal Ontology. Following this alignment, its definition and the definitions of its subclasses will be revised. environmental material A portion of environmental material is a fiat object part which forms the medium or part of the medium of an environmental system. DOI:10.1186/2041-1480-4-43 MA:ma ORCID:0000-0002-4366-3088 URL:http://ontology.buffalo.edu/smith/articles/niches.html A layer of some material entity which is adjacent to one or more of its external boundaries and directly interacts with its immediate surroundings. EcoLexicon:surface http://sweetontology.net/reprSpaceGeometry/Surface https://en.wikipedia.org/wiki/Surface This class is distinct from a geometric surface, which is two-dimensional. The idea of "uppermost" may be problematic. Further, the definition of layer (the superclass of surface in rev 133) references surface. This may be another issue. Perhaps this can be made into an inferred class using 'bounding layer of' some material entity, note that 'bounding layer' implies containment, which may not be valid here. surface layer A layer of some material entity which is adjacent to one or more of its external boundaries and directly interacts with its immediate surroundings. URL:http://www.merriam-webster.com/dictionary/surface Airborne solid particles (also called dust or particulate matter (PM)) or liquid droplets. EcoLexicon:aerosol SWEETRealm:Aerosol envoAtmo Should connect to PATO as "quality of an aerosol" aerosol Airborne solid particles (also called dust or particulate matter (PM)) or liquid droplets. https://en.wikipedia.org/wiki/Aerosol A facility in which animals are confined within enclosures and displayed to the public, and in which they may also be bred. zoo zoological park ENVO ENVO:00010625 zoological garden A facility in which animals are confined within enclosures and displayed to the public, and in which they may also be bred. https://en.wikipedia.org/wiki/Zoo An underground layer of water-bearing permeable rock or unconsolidated materials (gravel, sand, silt, or clay) from which groundwater can be usefully extracted using a water well. EcoLexicon:aquifer SWEETRealm:Aquifer https://en.wikipedia.org/wiki/Aquifer envoPolar aquifer An underground layer of water-bearing permeable rock or unconsolidated materials (gravel, sand, silt, or clay) from which groundwater can be usefully extracted using a water well. https://en.wikipedia.org/wiki/Aquifer Anthropogenic material in or on which organisms may live. ENVO ENVO:0010001 anthropogenic environmental material Anthropogenic material in or on which organisms may live. MA:ma This class will be depopulated and eventually deprecated. Convenience class. This is quite odd and it probably should be obsoleted. Any material that is a participant in an agricultural process can be seen as an agricultural material. agricultural environmental material This is quite odd and it probably should be obsoleted. Any material that is a participant in an agricultural process can be seen as an agricultural material. ORCID:0000-0002-4366-3088 An environmental material which is a liquid or semi-liquid mixture of water and some combination of soil, silt, and clay particles. EcoLexicon:mud LTER:356 SWEETRealm:Mud https://en.wikipedia.org/wiki/Mud mud An environmental material which is a liquid or semi-liquid mixture of water and some combination of soil, silt, and clay particles. https://en.wikipedia.org/wiki/Mud Particulate environmental material which is primarily composed of silt particles. Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible. EcoLexicon:silt SWEETRealm:Silt https://en.wikipedia.org/wiki/Silt This definition is intentionally ambiguous to support the multiple thresholds set by different authorities. Some authorities consider this soil material that contains 80% or more silt and less than 12% clay. In the Udden-Wentworth scale (due to Krumbein), silt particles range between 0.0039 to 0.0625 mm, larger than clay but smaller than sand particles. ISO 14688 grades silts between 0.002 mm and 0.063 mm. In actuality, silt is chemically distinct from clay, and unlike clay, grains of silt are approximately the same size in all dimensions; furthermore, their size ranges overlap. Clays are formed from thin plate-shaped particles held together by electrostatic forces, so present a cohesion. According to the U.S. Department of Agriculture Soil Texture Classification system, the sand-silt distinction is made at the 0.05 mm particle size. The USDA system has been adopted by the Food and Agriculture Organization (FAO). In the Unified Soil Classification System (USCS) and the AASHTO Soil Classification system, the sand-silt distinction is made at the 0.075 mm particle size (i.e., material passing the #200 sieve). Silts and clays are distinguished mechanically by their plasticity. silt Particulate environmental material which is primarily composed of silt particles. This definition is intentionally ambiguous to support the multiple thresholds set by different authorities. Some authorities consider this soil material that contains 80% or more silt and less than 12% clay. In the Udden-Wentworth scale (due to Krumbein), silt particles range between 0.0039 to 0.0625 mm, larger than clay but smaller than sand particles. ISO 14688 grades silts between 0.002 mm and 0.063 mm. In actuality, silt is chemically distinct from clay, and unlike clay, grains of silt are approximately the same size in all dimensions; furthermore, their size ranges overlap. Clays are formed from thin plate-shaped particles held together by electrostatic forces, so present a cohesion. According to the U.S. Department of Agriculture Soil Texture Classification system, the sand-silt distinction is made at the 0.05 mm particle size. The USDA system has been adopted by the Food and Agriculture Organization (FAO). In the Unified Soil Classification System (USCS) and the AASHTO Soil Classification system, the sand-silt distinction is made at the 0.075 mm particle size (i.e., material passing the #200 sieve). Silts and clays are distinguished mechanically by their plasticity. A naturally occurring granular material composed of finely divided rock and mineral particles. Particulate environmental material which is composed primarily of particles of sand with only minor proportions of other substances. Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible. EcoLexicon:sand LTER:484 SWEETRealm:Sand https://en.wikipedia.org/wiki/Sand This definition is intentionally ambiguous to support the multiple thresholds set by different authorities. Some authorities consider as sands soil material that contains 85% or more sand; the percentage of silt plus 1.5 times the percentage of clay does not exceed 15. coarse sand (sable grossier) 25% or more very coarse and coarse sand, and less than 50% any other one grade of sand. sand Particulate environmental material which is composed primarily of particles of sand with only minor proportions of other substances. https://en.wikipedia.org/wiki/Sand This definition is intentionally ambiguous to support the multiple thresholds set by different authorities. Some authorities consider as sands soil material that contains 85% or more sand; the percentage of silt plus 1.5 times the percentage of clay does not exceed 15. coarse sand (sable grossier) 25% or more very coarse and coarse sand, and less than 50% any other one grade of sand. https://sis.agr.gc.ca/cansis/glossary/t/index.html An environmental material which is composed primarily of pieces of gravel. EcoLexicon:gravel SWEETRealm:Gravel As with all size-based classifications, there is considerable variation in what is considered gravel. gravel An environmental material which is composed primarily of pieces of gravel. https://en.wikipedia.org/wiki/Gravel A marine biome which is determined by an ocean. ORCID:0000-0002-4366-3088 2010-03-15T11:23:23Z envoPolar Ocean biomes are determined by major bodies of saline water, principal components of the hydrosphere. Approximately 71% of the Earth's surface is covered by ocean, a continuous body of water that is customarily divided into several principal oceans and smaller seas. More than half of this area is over 3,000 metres (9,800 ft) deep. Average oceanic salinity is around 35 parts per thousand (ppt) (3.5%), and nearly all seawater has a salinity in the range of 30 to 38 ppt. ocean biome A marine biome which is determined by an ocean. ORCID:0000-0002-4366-3088 https://en.wikipedia.org/wiki/Ocean A marine algal bloom is a rapid increase or accumulation in the population of algae in a marine system. Typically, only one or a small number of phytoplankton species are involved. Although there is no officially recognized threshold level, algae can be considered to be blooming at concentrations of hundreds to thousands of cells per milliliter, depending on the severity. ORCID:0000-0002-4366-3088 2010-03-16T12:12:30Z EcoLexicon:red_tide red tide ENVO ENVO:01000057 envoPolar marine algal bloom A marine algal bloom is a rapid increase or accumulation in the population of algae in a marine system. Typically, only one or a small number of phytoplankton species are involved. Although there is no officially recognized threshold level, algae can be considered to be blooming at concentrations of hundreds to thousands of cells per milliliter, depending on the severity. ORCID:0000-0002-4366-3088 https://en.wikipedia.org/wiki/Algal_bloom red tide https://en.wikipedia.org/wiki/Red_tide An environmental material which is composed primarily of particles. Particulate material is an environmental material which is composed of microscopic portions of solid or liquid material suspended in another environmental material. Do not oversimplify this branch with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible. particulate matter envoAtmo envoPolar particulate environmental material particulate matter Environmental material derived from living organisms and composed primarily of one or more biomacromolecules. ORCID:0000-0002-4366-3088 2010-03-20T08:40:04Z EcoLexicon:organic_material biomass organic material Environmental material derived from living organisms and composed primarily of one or more biomacromolecules. ISBN:978-0-618-45504-1 ORCID:0000-0002-4366-3088 A forest ecosystem in which dominant ecological communities have reached their climax successional state. ORCID:0000-0002-4366-3088 2013-04-07T14:26:46Z LTER:212 SPIRE:Forest Preliminary definition. forest biome A shrubland biome is a terrestrial biome which includes, across its entire spatial extent, dense groups of shrubs. ORCID:0000-0002-4366-3088 2013-04-07T14:26:46Z Preliminary definition. shrubland biome A desert biome is a terrestrial biome which loses more liquid water by evapotranspiration than is supplied by precipitation and includes communities adapted to these conditions. ORCID:0000-0002-4366-3088 2013-04-07T14:26:46Z SPIRE:Desert_or_dune wwfBiome Preliminary definition. desert biome An environmental condition is a range of a determinate quality or combination of qualities that are present in an environmental system. ORCID:0000-0002-4366-3088 2013-04-07T14:35:18Z envoPolar A condition defines a restricted range of a given quality or combination of qualities. If an environment class, E, has_condition C, then all qualities listed in C are restricted to the ranges defined in C in E. This is not intended as a logical conditional. environmental condition An environmental condition is a range of a determinate quality or combination of qualities that are present in an environmental system. DOI:10.1186/2041-1480-4-43 A montane shrubland biome is a shrubland biome which occurs in regions elevated above sea level and which has community structure determined by elevation-dependent environmental conditions. ORCID:0000-0002-4366-3088 2013-04-07T14:40:32Z wwfBiome Preliminary definition. montane shrubland biome An anthropogenic terrestrial biome is a terrestrial biome which has community structures determined by human activity. ORCID:0000-0002-4366-3088 2013-04-07T14:45:22Z anthrome human biome Preliminary definition. anthropogenic terrestrial biome An anthropogenic terrestrial biome is a terrestrial biome which has community structures determined by human activity. http://www.eoearth.org/view/article/150128/ An environmental condition in which annual precipitation is less than half of annual potential evapotranspiration. ORCID:0000-0002-4366-3088 2013-04-24T13:28:18Z EcoLexicon:aridity envoPolar arid A scrubland which is located in a desert. 2013-06-06T15:02:30Z desert scrub desert scrubland A scrubland which is located in a desert. ORCID:0000-0001-8743-9574 desert scrub ORCID:0000-0001-8743-9574 A cropland ecosystem in which dominant ecological communities are maintained in a stable state - mimicking a climax community - by human intervention. ORCID:0000-0002-4366-3088 2013-06-14T11:45:47Z cropland biome A cropland ecosystem in which dominant ecological communities are maintained in a stable state - mimicking a climax community - by human intervention. A village biome is an anthropogenic terrestrial biome which contains settlements such as villages, towns, and/or small cities and which is primarily used for agricultural activity. ORCID:0000-0002-4366-3088 2013-06-14T11:45:47Z Villages are also described as agricultural settlements with greater than 100 persons per square kilometre; however, no upper limit is defined. village biome A village biome is an anthropogenic terrestrial biome which contains settlements such as villages, towns, and/or small cities and which is primarily used for agricultural activity. DOI:10.1111/j.1466-8238.2010.00540.x DOI:10.1890/070062 A rangeland biome is an anthropogenic terrestrial biome which is primarily used for the rearing and grazing of livestock. ORCID:0000-0002-4366-3088 2013-06-14T11:45:47Z rangeland biome A rangeland biome is an anthropogenic terrestrial biome which is primarily used for the rearing and grazing of livestock. DOI:10.1111/j.1466-8238.2010.00540.x DOI:10.1890/070062 A dense settlement biome is an anthropogenic terrestrial biome which is primarily used for human habitation, recreation, and industry within built structures with little other land use. ORCID:0000-0002-4366-3088 2013-06-14T11:45:47Z ENVO ENVO:01000248 dense settlement biome A dense settlement biome is an anthropogenic terrestrial biome which is primarily used for human habitation, recreation, and industry within built structures with little other land use. DOI:10.1111/j.1466-8238.2010.00540.x DOI:10.1890/070062 An urban biome is a dense settlement biome which has been urbanised. ORCID:0000-0002-4366-3088 2013-06-14T11:45:47Z SPIRE:Urban ENVO ENVO:01000249 urban biome An urban biome is a dense settlement biome which has been urbanised. DOI:10.1111/j.1466-8238.2010.00540.x DOI:10.1890/070062 A system which has the disposition to environ one or more material entities. 2013-09-23T16:04:08Z EcoLexicon:environment environment In ENVO's alignment with the Basic Formal Ontology, this class is being considered as a subclass of a proposed BFO class "system". The relation "environed_by" is also under development. Roughly, a system which includes a material entity (at least partially) within its site and causally influences that entity may be considered to environ it. Following the completion of this alignment, this class' definition and the definitions of its subclasses will be revised. environmental system A system which has the disposition to environ one or more material entities. DOI:10.1186/2041-1480-4-43 A mineral material is an environmental material which is primarily composed of some substance that is naturally occurring, solid and stable at room temperature, representable by a chemical formula, usually abiogenic, and that has an ordered atomic structure. Look for "mineral" in a chemical or geochemical ontology to formalise the composed primarily of link. From https://en.wikipedia.org/wiki/ [A mineral] is different from a rock, which can be an aggregate of minerals or non-minerals and does not have a specific chemical composition. The exact definition of a mineral is under debate, especially with respect to the requirement a valid species be abiogenic, and to a lesser extent with regards to it having an ordered atomic structure. ORCID:0000-0002-4366-3088 2013-10-05T12:37:41Z LTER:341 mineral material A mineral material is an environmental material which is primarily composed of some substance that is naturally occurring, solid and stable at room temperature, representable by a chemical formula, usually abiogenic, and that has an ordered atomic structure. https://en.wikipedia.org/wiki/Mineral Water vapour is a vapour which is the gas phase of water. ORCID:0000-0002-4366-3088 2013-10-10T07:58:18Z aqueous vapor aqueous vapour water vapor Perhaps a better relation between water vapour and water can be found in or added to RO? water vapour Water vapour is a vapour which is the gas phase of water. https://en.wikipedia.org/wiki/Water_vapor aqueous vapor https://en.wikipedia.org/wiki/Water_vapor aqueous vapour https://en.wikipedia.org/wiki/Water_vapor water vapor https://en.wikipedia.org/wiki/Water_vapor An atmosphere is a layer of gases surrounding a material body of sufficient mass that is held in place by the gravity of the body. ORCID:0000-0002-4366-3088 2013-10-10T08:14:50Z LTER:48 atmosphere An atmosphere is a layer of gases surrounding a material body of sufficient mass that is held in place by the gravity of the body. https://en.wikipedia.org/wiki/Atmosphere https://en.wikipedia.org/wiki/Physical_geography Atmospheric water vapour is water vapour that is part of an atmosphere. ORCID:0000-0002-4366-3088 2013-10-10T08:22:07Z atmospheric water vapor ENVO ENVO:01000268 envoPolar atmospheric water vapour Atmospheric water vapour is water vapour that is part of an atmosphere. https://en.wikipedia.org/wiki/Water_vapor atmospheric water vapor https://en.wikipedia.org/wiki/Water_vapor Clastic sedimentary rocks are sedimentary rocks that are composed of silicate minerals and rock fragments that were transported by moving fluids. Clastic rocks are composed largely of quartz, feldspar, rock (lithic) fragments, clay minerals, and mica; numerous other minerals may be present as accessories and may be important locally. ORCID:0000-0002-4366-3088 2013-10-12T14:51:19Z ENVO ENVO:01000271 clastic sedimentary rock Clastic sedimentary rocks are sedimentary rocks that are composed of silicate minerals and rock fragments that were transported by moving fluids. Clastic rocks are composed largely of quartz, feldspar, rock (lithic) fragments, clay minerals, and mica; numerous other minerals may be present as accessories and may be important locally. https://en.wikipedia.org/wiki/Sedimentary_rock#Clastic_sedimentary_rocks Slate is a metamorphic rock which is fine-grained, foliated, homogeneous, Slates are derived from clastic sedimentary rocks. ORCID:0000-0002-4366-3088 2013-10-12T14:51:19Z slate Slate is a metamorphic rock which is fine-grained, foliated, homogeneous, Slates are derived from clastic sedimentary rocks. https://en.wikipedia.org/wiki/Slate A large unit of land or water containing a geographically distinct assemblage of species, natural communities, and environmental conditions. ORCID:0000-0002-4366-3088 2013-10-12T17:21:09Z envoPolar Unlike biomes, ecoregions are geographically defined entities. ENVO's sister project, GAZ, contains terms for instances of ecoregions (e.g. Beringia lowland tundra). Requests for new terms should be directed to GAZ. ENVO will only contain this top-level class. The class' definition is preliminary and will be aligned to BFO. ecoregion A large unit of land or water containing a geographically distinct assemblage of species, natural communities, and environmental conditions. DOI:10.1641/0006-3568(2001)051[0933:TEOTWA]2.0.CO;2 URL:http://worldwildlife.org/biomes Ice which is formed from water. 2013-10-13T12:01:28Z LTER:262 ice envoPolar Water ice can appear transparent or opaque bluish-white color, depending on the presence of impurities or air inclusions. The addition of other materials such as soil may further alter its appearance. When speaking about ice on Earth, usually water ice is meant - the solid, crystalline form of water found in the atmosphere as snow crystals, hail, ice pellets, etc., and on the earth's surface in forms such as hoarfrost, rime, glaze, sea ice, glacier ice, ground ice, frazil, anchor ice, etc. This form of water is, strictly speaking, called ice Ih, the Roman numeral I distinguishing it from more than a dozen other phases and the letter h distinguishing it from the metastable cubic phase ice Ic. Ice Ih is the only one of the several known phases of water ice that is stable at commonly occurring temperatures and pressures. (Some of the other forms have very unusual properties, ice VII, for example, being stable only at pressures above 22 400 kg/cm^2, but then existing at temperatures up to about 100C.) It has an open structure with a specific gravity of 0.9166 which is slightly less than water; because the water molecules bond to their neighbors covalently only in four directions; it therefore floats on higher density water, where broken molecular bonds permit closer packing. All commonly occurring forms of ice are crystalline, although large single crystals are relatively rare except in glaciers. The ice crystal lattice possesses hexagonal symmetry that manifests itself in the gross forms of such single crystals as are sometimes found in snow. At an air pressure of one atmosphere, ice melts at 0 C by definition of the Celsius temperature scale. (Strictly speaking the equilibrium point among water, ice, and vapor occurs at +0.01C, the triple point.) On the other hand, ice does not invariably form in liquid water cooled below this temperature; it has a tendency to supercool, more so in the absence of ice nuclei. In permafrost regions, ice may occupy voids in soils and rocks and may develop in a variety of forms. Ice may be colourless to pale blue or greenish-blue. It may appear white due to included gas bubbles; in exposures, ground ice may also appear black. In nature ice is formed either by: (a) the freezing of water, (b) the condensation of atmospheric water vapour direct into ice crystals, (c) the compaction of snow with or without the motion of a glacier, or (d) the impregnation of porous snow masses with water which subsequently freeze. water ice Ice which is formed from water. https://en.wikipedia.org/wiki/Ice ice http://www.eionet.europa.eu/gemet/concept/4131 Ecozones delineate large areas of a planetary surface within which organisms have been evolving in relative isolation over long periods of time, separated from one another by geographic features, such as oceans, broad deserts, or high mountain ranges, that constitute barriers to migration. ORCID:0000-0002-4366-3088 2013-10-13T18:32:46Z envoPolar ENVO contains this top-level class, but all instances will be in GAZ. The definition is preliminary and will be aligned to BFO. https://en.wikipedia.org/wiki/ Ecozones correspond to the floristic kingdoms of botany or zoogeographic regions of zoology. Ecozones are characterized by the evolutionary history of the organisms they contain. They are distinct from biomes, also known as major habitat types, which are divisions of the Earth's surface based on life form, or the adaptation of plants and animals to climatic, soil, and other conditions. Biomes are characterized by similar climax vegetation. Each ecozone may include a number of different biomes. A tropical moist broadleaf forest in Central America, for example, may be similar to one in New Guinea in its vegetation type and structure, climate, soils, etc., but these forests are inhabited by plants and animals with very different evolutionary histories. ecozone Ecozones delineate large areas of a planetary surface within which organisms have been evolving in relative isolation over long periods of time, separated from one another by geographic features, such as oceans, broad deserts, or high mountain ranges, that constitute barriers to migration. https://en.wikipedia.org/wiki/ecozone A layer is a quantity of some material which is spatially continuous, has comparable thickness, and usually covers some surface. ORCID:0000-0002-4366-3088 2013-10-15T16:42:02Z envoPolar Preliminary definition. layer A layer is a quantity of some material which is spatially continuous, has comparable thickness, and usually covers some surface. Wiktionary:layer A layer which is part of a lake. ORCID:0000-0002-4366-3088 2013-10-15T16:57:43Z ENVO ENVO:01000283 envoPolar Note that this class does not contain metalimnion as a subclass. The metaliminon is classified as a thermocline. lake layer A mass of water ice. Class should be populated by inference and asserted subclasses redistributed. ORCID:0000-0002-4366-3088 2013-10-15T19:49:11Z accumulation of ice ice accumulation http://sweetontology.net/phenCryo/Accumulation envoPolar ice mass A layer that is part of a marine water body. ORCID:0000-0002-4366-3088 envoMarine envoPolar marine layer A layer that is part of a marine water body. ORCID:0000-0002-4366-3088 A river where fresh water flows. ORCID:0000-0002-4366-3088 2013-10-16T12:56:48Z ENVO ENVO:01000297 Preliminary definition. freshwater river A river where fresh water flows. ORCID:0000-0002-4366-3088 An endolithic environment is an environment that exists within solid rock. endolithic environment A high pressure environment is an environment in which all material entities are exposed to a high ratio of force per unit area. high pressure environment A high temperature environment is an environment in which material entities are exposed to increased levels of heat radiation or which have molecules or atoms moving randomly with increased levels of average kinietic energy. high temperature environment An aquatic environment which is determined by freshwater. Water (non-saline) fresh water environment envoEmpo envoOmics envoPolar freshwater environment Water (non-saline) http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environmental system which has its properties and dynamics determined by saline water. Water (saline) envoEmpo envoOmics envoPolar saline water environment Water (saline) http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environment which has a lower temperature than some local or global average. envoPolar The definition of the deprecated 'cold temperature habitat' class, which this class was derived from, quotes an upper threshold of 15 degrees Celsius for 'coldness'. cold environment An anthropogenic environment is an environmental system which is the product of human activity. Unsatisfactory definition here. Must consider the threshold that makes an environmental system anthropogenic. anthropogenic environment A high osmolarity environment is an environment in which entities are exposed to high concentrations of solutes. high osmolarity environment An acidic environment is an environment in which material entities are exposed to a low pH. acidic environment An environment whose dynamics are strongly influenced by water. aquatic environment An extreme high temperature environment is a high temperature environment in which entities are exposed to temperatures above 80 degrees Celsius. The lower threshold, 80 degrees Celsius, is derived from the definition of the obsolete class "extreme high temperature habitat" which this class replaces. extreme high temperature environment A rocky slope is a slope which has a surface primarily composed of rock. rocky slope A marine environment and enviroment which is determined by a marine water body. envoPolar marine environment A marine environment and enviroment which is determined by a marine water body. NM:nm An environmental system determined by seawater. ocean water environment envoPolar sea water environment The atmospheric boundary layer is the lowest layer of an atmosphere which is strongly influenced by its contact with a planetary surface with strong vertical mixing and in which physical quantities such as flow velocity, temperature, and moisture display rapid fluctuations (turbulence). planetary boundary layer envoPolar atmospheric boundary layer A planetary surface is a surface layer where the solid or liquid material of a planet comes into contact with an atmosphere or outer space. a useful class: this can be used to define sub-terrestrial and sub-marine entities planetary surface A layer in a water mass, itself composed primarily of water. envoPolar This class will eventually be populated by inference, and its asserted subclasses removed. aquatic layer A gravelly slope is a slope which has a surface primarily composed of gravel. gravelly slope A talus slope is a slope which has a surface layer composed of scree. scree slope talus slope An altitudinal condition which inheres in a bearer by virtue of the bearer having a monthly mean temperature is less than 10 degrees Celsius and being located at altitudes above the tree line and below the snowline. ORCID:0000-0002-4366-3088 LTER:26 envoPolar Requested term with preliminary def. See Issue 29 on the envo tracker. alpine An altitudinal condition which inheres in a bearer by virtue of the bearer having a monthly mean temperature is less than 10 degrees Celsius and being located at altitudes above the tree line and below the snowline. https://en.wikipedia.org/wiki/Altitudinal_zonation An altitudinal condition which inheres in a bearer by virtue of the bearer being located at an altitude between mid-altitude forests and the tree line. ORCID:0000-0002-4366-3088 LTER:350 envoPolar The exact level of the tree line varies with local climate, but typically the tree line is found where mean monthly soil temperatures never exceed 10.0 degrees C and the mean annual soil temperatures are around 6.7 degrees C. In the tropics, this region is typified by montane rain forest (above 3,000 ft) while at higher latitudes coniferous forests often dominate. montane An altitudinal condition which inheres in a bearer by virtue of the bearer being located at an altitude between mid-altitude forests and the tree line. https://en.wikipedia.org/wiki/Altitudinal_zonation The exact level of the tree line varies with local climate, but typically the tree line is found where mean monthly soil temperatures never exceed 10.0 degrees C and the mean annual soil temperatures are around 6.7 degrees C. In the tropics, this region is typified by montane rain forest (above 3,000 ft) while at higher latitudes coniferous forests often dominate. https://en.wikipedia.org/wiki/Altitudinal_zonation An altitudinal condition is an environmental condition in which ranges of factors such as temperature, humidity, soil composition, solar irradiation, and tree density vary with ranges in altitude. ORCID:0000-0002-4366-3088 envoPolar Depending on the latitude (and, to a lesser extent, other factors), the actual location of the zones where these conditions are in effect will change. altitudinal condition An altitudinal condition is an environmental condition in which ranges of factors such as temperature, humidity, soil composition, solar irradiation, and tree density vary with ranges in altitude. https://en.wikipedia.org/wiki/Altitudinal_zonation An unbroken expanse (as of ice) ORCID:0000-0002-4366-3088 envoPolar This class was created to accommodate "fields" from agricultural fields to marine mesoscale eddy fields. Thus, it has a very broad definition which makes it less than informative when annotating. Please consider using or requesting an appropriate subclass. field An unbroken expanse (as of ice) http://www.merriam-webster.com/dictionary/field A layer which is determined by a form of vegetation. forest layer forest stratum woodland layer woodland stratum Usually found in woodlands and forests. vegetation layer A portion of acidic water is a portion of water with a pH less than 7. acidic water Agricultural waste is waste produced as a result of various agricultural operations. It includes manure and other wastes from farms, poultry houses and slaughterhouses; harvest waste; fertilizer run- off from fields; pesticides that enter into water, air or soils; and salt and silt drained from fields. agricultural waste As with other wastes, this is more a role than a material in itself. This should be revised. agricultural waste material Agricultural waste is waste produced as a result of various agricultural operations. It includes manure and other wastes from farms, poultry houses and slaughterhouses; harvest waste; fertilizer run- off from fields; pesticides that enter into water, air or soils; and salt and silt drained from fields. ISBN:978-92-1-161386-5 http://stats.oecd.org/glossary/detail.asp?ID=77 Biological waste is waste containing mostly natural organic materials (remains of plants, animal excrement, biological sludge from waste-water treatment plants and so forth). This will become a defined class, with subclasses added through inference based on material having a 'waste role' and being composed primarily of some organic or biological matter. biological waste biological waste material Biological waste is waste containing mostly natural organic materials (remains of plants, animal excrement, biological sludge from waste-water treatment plants and so forth). ISBN:978-92-1-161386-5 http://stats.oecd.org/glossary/detail.asp?ID=3097 A portion of respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 10 micrometers or less. PM10 respirable suspended particulate matter A portion of respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 10 micrometers or less. https://en.wikipedia.org/wiki/Particulates Snow is an environmental material which is primarily composed of flakes of crystalline water ice. envoPolar snow Snow is an environmental material which is primarily composed of flakes of crystalline water ice. http://www.eionet.europa.eu/gemet/concept/7769 https://en.wikipedia.org/wiki/Snow A site which has its extent determined by the presence or influence of one or more components of an environmental system or the processes occurring therein. environmental area envoPolar Formerly, this class was an experimental class and a subclass of "environmental feature". It is now aligned to BFO. The class was not obsoleted as the core semantics maintained their stability through its transition. environmental zone A portion of fine respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 2.5 micrometers or less. PM2.5 fine respirable suspended particulate matter A portion of fine respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 2.5 micrometers or less. https://en.wikipedia.org/wiki/Particulates A portion of fine respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 100 nanometers or less. Regulations do not exist for this size class of ambient air pollution particles, which are far smaller than the regulated PM10 and PM2.5 particle classes and are believed to have several more aggressive health implications than those classes of larger particulates. ultrafine respirable suspended particulate matter A portion of fine respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 100 nanometers or less. https://en.wikipedia.org/wiki/Particulates https://en.wikipedia.org/wiki/Ultrafine_particle A building part is a construction which is part of a building. Not recommended for annotation. This class is likely to be made into an inferred class as its subclasses are distributed among more meaningful superclasses (i.e. ceiling is_a surface layer). See for example, "building floor". The boundaries between building parts may be bona fide or fiat. building part A class created to group GFM 2000 terms by the dominant vegetation type. Definitions pending. montane forest Particulate environmental material in which small portions of solid material are surrounded by water. This class should be populated by inference, relying on 'composed primarily of', many 'pieces of solid material' and 'surrounded by' some 'water'. waterborne particulate matter Atmospheric carbon dioxide is an environmental material composed of carbon dioxide in its gaseous form present in an atmosphere. ORCID:0000-0002-4366-3088 envoPolar This could also be considered a part of an environmental material like air. atmospheric carbon dioxide A disposition which is realised by an environmental system or system parts thereof. ORCID:0000-0002-4366-3088 This class and its subclasses are experimental and are being developed with NCEAS use cases in mind. environmental disposition A masonry unit is a solid piece of material, usually with a regular shape, used as a component in the construction of buildings. Masonry units are usually composed of brick, stone, marble, granite, travertine, limestone, cast stone, concrete block, glass block, stucco, tile, or cob. ORCID:0000-0002-4366-3088 masonry unit A masonry unit is a solid piece of material, usually with a regular shape, used as a component in the construction of buildings. Masonry units are usually composed of brick, stone, marble, granite, travertine, limestone, cast stone, concrete block, glass block, stucco, tile, or cob. https://en.wikipedia.org/wiki/Masonry Concrete is a composite material composed of an aggregate bonded together with a fluid cement which hardens over time. ORCID:0000-0002-4366-3088 Missing the class for "aggregate" - tricky to define what it is, exactly. Again, seems more like some sort of material/disposition hybrid. concrete Concrete is a composite material composed of an aggregate bonded together with a fluid cement which hardens over time. https://en.wikipedia.org/wiki/Concrete Asphaltic concrete is a concrete which uses refined asphalt as a cement. ORCID:0000-0002-4366-3088 asphaltic concrete road pavement asphalt concrete Asphaltic concrete is a concrete which uses refined asphalt as a cement. https://en.wikipedia.org/wiki/Concrete Asphalt also known as bitumen is a sticky, black, and highly viscous liquid or semi-solid form of petroleum. asphaltum bitumen crude bitumen pitch tar This class refers to naturally-occuring asphalt or bitumen. asphalt Asphalt also known as bitumen is a sticky, black, and highly viscous liquid or semi-solid form of petroleum. https://en.wikipedia.org/wiki/Asphalt Refined asphalt is a sticky, black, and highly viscous liquid or semi-solid with a boiling point above 500 degrees Celsius, obtained from the fractional distillation of crude oil. ORCID:0000-0002-4366-3088 refined bitumen refined asphalt Refined asphalt is a sticky, black, and highly viscous liquid or semi-solid with a boiling point above 500 degrees Celsius, obtained from the fractional distillation of crude oil. https://en.wikipedia.org/wiki/Asphalt Masonry cement is a substance used in construction that has the disposition to set and harden and thus may be used to bind materials together. ORCID:0000-0002-4366-3088 cement "Cement" refers more to a disposition than a specific material. masonry cement Masonry cement is a substance used in construction that has the disposition to set and harden and thus may be used to bind materials together. https://en.wikipedia.org/wiki/Cement A portion of brick material is a material derived from a brick which is composed of kneaded clay-bearing soil, expanded clay aggregate, sand and lime, or concrete that has been fire-hardened or air-dried. ORCID:0000-0002-4366-3088 brick material A portion of brick material is a material derived from a brick which is composed of kneaded clay-bearing soil, expanded clay aggregate, sand and lime, or concrete that has been fire-hardened or air-dried. https://en.wikipedia.org/wiki/Brick A brick is a masonry unit which is composed of kneaded clay-bearing soil, expanded clay aggregate, sand and lime, or concrete material, fire-hardened or air-dried. ORCID:0000-0002-4366-3088 Generally used to refer to the masonry unit rather than a material. brick A brick is a masonry unit which is composed of kneaded clay-bearing soil, expanded clay aggregate, sand and lime, or concrete material, fire-hardened or air-dried. https://en.wikipedia.org/wiki/Brick Plaster is a building material which has the disposition to harden when it reacts with water, liberating heat through crystallization. Plaster is manufactured as a dry powder and is mixed with water to form a paste when used. ORCID:0000-0002-4366-3088 render stucco plaster Plaster is a building material which has the disposition to harden when it reacts with water, liberating heat through crystallization. Plaster is manufactured as a dry powder and is mixed with water to form a paste when used. https://en.wikipedia.org/wiki/Plaster ORCID:0000-0002-4366-3088 cement render cement stucco cement plaster Lime plaster is a plaster which is primarily composed of calcium hydroxide and an inert filler (such as sand). Coversion of the calcium hydroxide to calcium carbonate through a reaction with carbon dioxide in the air causes the plaster to set. ORCID:0000-0002-4366-3088 lime render lime stucco slaked lime plaster lime plaster Lime plaster is a plaster which is primarily composed of calcium hydroxide and an inert filler (such as sand). Coversion of the calcium hydroxide to calcium carbonate through a reaction with carbon dioxide in the air causes the plaster to set. https://en.wikipedia.org/wiki/Plaster Glass is an amorphous (non-crystalline) solid which is often transparent. ORCID:0000-0002-4366-3088 This class refers to all forms of glass. For the familiar form present in window panes and drinking glasses, consider silica-based glass. glass Glass is an amorphous (non-crystalline) solid which is often transparent. https://en.wikipedia.org/wiki/Glass A building floor is a surface layer which is part of a building and used for walking. ORCID:0000-0002-4366-3088 To be more precise, a subfloor and a floor covering may be specified. Please request these classes and propose definitions if they are needed. building floor A wooden building floor is a building floor that is composed primarily of wood. ORCID:0000-0002-4366-3088 wooden floor wooden parquet floor wooden building floor A concrete building floor is a building floor that is composed primarily of concrete ORCID:0000-0002-4366-3088 concrete floor cement building floor cement floor At times, this is called a cement floor, although that is probably not accurate. concrete building floor A factory (previously manufactory) or manufacturing plant is an industrial site, usually consisting of buildings and machinery, or more commonly a complex having several buildings, where workers manufacture goods or operate machines processing one product into another. ORCID:0000-0002-4366-3088 manufactory manufacturing plant factory A factory (previously manufactory) or manufacturing plant is an industrial site, usually consisting of buildings and machinery, or more commonly a complex having several buildings, where workers manufacture goods or operate machines processing one product into another. https://en.wikipedia.org/wiki/Factory The layer of the atmosphere which is sandwiched between the troposphere and mesosphere. Of the energy that reaches the Earth from the sun, only 3% is absorbed in the stratosphere, but that includes the vitally important process of absorption of ultraviolet radiation by the stratospheric ozone layer. The stratosphere is cloudless and dust free, and almost unaffected by the turbulent conditions of the underlying level of the atmosphere. (Source: WRIGHT) ORCID:0000-0002-4366-3088 Definition from GEMET - will be refined. stratosphere The layer of the atmosphere which is sandwiched between the troposphere and mesosphere. Of the energy that reaches the Earth from the sun, only 3% is absorbed in the stratosphere, but that includes the vitally important process of absorption of ultraviolet radiation by the stratospheric ozone layer. The stratosphere is cloudless and dust free, and almost unaffected by the turbulent conditions of the underlying level of the atmosphere. (Source: WRIGHT) GEMET:http://www.eionet.europa.eu/gemet/concept/8128 The mesosphere is part of the earth's atmosphere which is between the stratosphere and the thermosphere in which temperature decreases with altitude to the atmosphere's absolute minimum ORCID:0000-0002-4366-3088 mesosphere The mesosphere is part of the earth's atmosphere which is between the stratosphere and the thermosphere in which temperature decreases with altitude to the atmosphere's absolute minimum http://www.merriam-webster.com/dictionary/mesosphere The lowest of the concentric layers of the atmosphere, occurring between the Earth's surface and the tropopause. It is the zone where atmospheric turbulence is at its greatest and where the bulk of the Earth's weather is generated. It contains almost all the water vapour and aerosols and three-quarters of the total gaseous mass of the atmosphere. Throughout the troposphere temperature decreases with height at a mean rate of 6.5°C/km and the whole zone is capped by either an inversion of temperature or an isothermal layer at the tropopause. (Source: WHIT) ORCID:0000-0002-4366-3088 Definition from GEMET - will be refined. troposphere The lowest of the concentric layers of the atmosphere, occurring between the Earth's surface and the tropopause. It is the zone where atmospheric turbulence is at its greatest and where the bulk of the Earth's weather is generated. It contains almost all the water vapour and aerosols and three-quarters of the total gaseous mass of the atmosphere. Throughout the troposphere temperature decreases with height at a mean rate of 6.5°C/km and the whole zone is capped by either an inversion of temperature or an isothermal layer at the tropopause. (Source: WHIT) GEMET:http://www.eionet.europa.eu/gemet/concept/8695 The thermosphere is a part of the earth's atmosphere that begins at about 50 miles (80 kilometers) above the earth's surface, extends to outer space, and is characterized by steadily increasing temperature with height thermosphere The thermosphere is a part of the earth's atmosphere that begins at about 50 miles (80 kilometers) above the earth's surface, extends to outer space, and is characterized by steadily increasing temperature with height http://www.merriam-webster.com/dictionary/thermosphere A layer that is part of the atmosphere. ORCID:0000-0002-4366-3088 atmospheric layering envoPolar This could be made into an inferred class, rather than having asserted subclasses. atmospheric layer atmospheric layering GEMET:http://www.eionet.europa.eu/gemet/concept/627 A boundary layer is a layer of fluid in the immediate vicinity of a bounding surface where the effects of viscosity are significant enough to distort the surrounding non-viscous flow. ORCID:0000-0002-4366-3088 boundary layer boundary layer A boundary layer is a layer of fluid in the immediate vicinity of a bounding surface where the effects of viscosity are significant enough to distort the surrounding non-viscous flow. https://en.wikipedia.org/wiki/Boundary_layer boundary layer http://www.eionet.europa.eu/gemet/concept/976 A glaze ice layer is a smooth, transparent and homogeneous ice layer which coats some surface and which is formed when freezing rain or drizzle hits that surface. ORCID:0000-0002-4366-3088 glaze glaze glaze ice glaze ice layer A glaze ice layer is a smooth, transparent and homogeneous ice layer which coats some surface and which is formed when freezing rain or drizzle hits that surface. https://en.wikipedia.org/wiki/Glaze_ice glaze ice http://www.eionet.europa.eu/gemet/concept/12091 Natural gas is a hydrocarbon gas mixture consisting primarily of methane, but commonly includes varying amounts of other higher alkanes and sometimes a usually lesser percentage of carbon dioxide, nitrogen, and/or hydrogen sulfide. Natural gas is a fossil fuel formed when layers of buried plants and gases are exposed to intense heat and pressure over thousands of years. natural gas Natural gas is a hydrocarbon gas mixture consisting primarily of methane, but commonly includes varying amounts of other higher alkanes and sometimes a usually lesser percentage of carbon dioxide, nitrogen, and/or hydrogen sulfide. Natural gas is a fossil fuel formed when layers of buried plants and gases are exposed to intense heat and pressure over thousands of years. https://en.wikipedia.org/wiki/Natural_gas Liquified petroleum gas or liquid petroleum gas (LPG or LP gas), also referred to as simply propane or butane, are flammable mixtures of hydrocarbon gases used as fuel in heating appliances, cooking equipment, and vehicles. LP gas LPG liquid petroleum gas liquified natural gas liquefied petroleum gas Liquified petroleum gas or liquid petroleum gas (LPG or LP gas), also referred to as simply propane or butane, are flammable mixtures of hydrocarbon gases used as fuel in heating appliances, cooking equipment, and vehicles. https://en.wikipedia.org/wiki/Liquefied_petroleum_gas A gas that is primarily composed of hydrocarbon molecules. envoPolar hydrocarbon gas Liquefied natural gas (LNG) is natural gas (predominantly methane, CH4) that has been converted to liquid form for ease of storage or transport. It takes up about 1/600th the volume of natural gas in the gaseous state. It is odorless, colorless, non-toxic and non-corrosive. LNG achieves a higher reduction in volume than compressed natural gas (CNG) so that the (volumetric) energy density of LNG is 2.4 times greater than that of CNG or 60 percent of that of diesel fuel. LNG liquified natural gas liquefied natural gas Liquefied natural gas (LNG) is natural gas (predominantly methane, CH4) that has been converted to liquid form for ease of storage or transport. It takes up about 1/600th the volume of natural gas in the gaseous state. It is odorless, colorless, non-toxic and non-corrosive. LNG achieves a higher reduction in volume than compressed natural gas (CNG) so that the (volumetric) energy density of LNG is 2.4 times greater than that of CNG or 60 percent of that of diesel fuel. https://en.wikipedia.org/wiki/Liquefied_natural_gas envoPolar liquefied hydrocarbon gas Charcoal is a light, black residue, consisting of carbon and any remaining ash, obtained by removing water and other volatile constituents from animal and vegetation substances. Charcoal is usually produced by slow pyrolysis, the heating of wood or other substances in the absence of oxygen. charcoal Charcoal is a light, black residue, consisting of carbon and any remaining ash, obtained by removing water and other volatile constituents from animal and vegetation substances. Charcoal is usually produced by slow pyrolysis, the heating of wood or other substances in the absence of oxygen. https://en.wikipedia.org/wiki/Charcoal A wax is an environmental material which is primarily composed of lipids or other organic compounds that consist of long alkyl chains. Waxes are are malleable near ambient temperatures and melt at approximately 45 degrees Celsius. wax A wax is an environmental material which is primarily composed of lipids or other organic compounds that consist of long alkyl chains. Waxes are are malleable near ambient temperatures and melt at approximately 45 degrees Celsius. https://en.wikipedia.org/wiki/Wax river water A lentic water body is a water body in which the accumulated water, in its totality, has very little to no directed flow. lentic water body A lotic water body is a water body in which the accumulated water, in its totality, is flowing. lotic water body Hydrological condensation is a process in which atmospheric water vapour undergoes a phase transition from the gas phase to the liquid phase. condensation envoAtmo envoPolar "process" is included in the label to make it clear that we are not referring to the condensed material (e.g. water droplets, window fog) hydrological condensation process Hydrological condensation is a process in which atmospheric water vapour undergoes a phase transition from the gas phase to the liquid phase. https://en.wikipedia.org/wiki/Condensation The long-term fluctuations in temperature, precipitation, wind, and all other aspects of the Earth's climate. External processes, such as solar-irradiance variations, variations of the Earth's orbital parameters (eccentricity, precession, and inclination), lithosphere motions, and volcanic activity, are factors in climatic variation. Internal variations of the climate system, e.g., changes in the abundance of greenhouse gases, also may produce fluctuations of sufficient magnitude and variability to explain observed climate change through the feedback processes interrelating the components of the climate system. envoPolar Definition vebatim from GEMET. Will need to be refined. Further, distinction between "climate change" and (one or many) "climate change process" will need to be discussed. Fluctuations are not processes, per se. climate change The long-term fluctuations in temperature, precipitation, wind, and all other aspects of the Earth's climate. External processes, such as solar-irradiance variations, variations of the Earth's orbital parameters (eccentricity, precession, and inclination), lithosphere motions, and volcanic activity, are factors in climatic variation. Internal variations of the climate system, e.g., changes in the abundance of greenhouse gases, also may produce fluctuations of sufficient magnitude and variability to explain observed climate change through the feedback processes interrelating the components of the climate system. GEMET:http://www.eionet.europa.eu/gemet/concept/1471 Acidification of an aquatic environment is a process whereby the pH of an aquatic environment, biome, or water body is lowered. acidification of an aquatic environment Ocean acidification is a process during which the pH of a sea or ocean is lowered. LTER:962 LTER:962 envoPolar On Earth, the major cause of ocean acidification is the update of carbon dioxide from the atmosphere. ocean acidification LTER:962 https://vocab.lternet.edu/vocab/vocab/index.php?tema=962&/ocean-acidification A volcanic eruption is a process during which lava, tephra (ash, lapilli, volcanic bombs and blocks), and assorted gases are expelled from a volcanic vent or fissure. environmental_hazards volcanic eruption A volcanic eruption is a process during which lava, tephra (ash, lapilli, volcanic bombs and blocks), and assorted gases are expelled from a volcanic vent or fissure. https://en.wikipedia.org/wiki/Types_of_volcanic_eruptions A landmass which is part of a planet. land ground planetary landmass A landmass which is part of a planet. Adpated from https://en.wikipedia.org/wiki/Planetary_surface Outer space is a hard vacuum containing a low density of particles, predominantly a plasma of hydrogen and helium as well as electromagnetic radiation, magnetic fields, neutrinos, dust and cosmic rays that exists between celestial bodies. space envoAstro outer space Outer space is a hard vacuum containing a low density of particles, predominantly a plasma of hydrogen and helium as well as electromagnetic radiation, magnetic fields, neutrinos, dust and cosmic rays that exists between celestial bodies. https://en.wikipedia.org/wiki/Outer_space A planetary crust is the outermost solid shell of a rocky planet or natural satellite, which is chemically distinct from the underlying mantle. crust This class is meant to be applicable accross planets. Earth's crust would be an instance. planetary crust A planetary crust is the outermost solid shell of a rocky planet or natural satellite, which is chemically distinct from the underlying mantle. https://en.wikipedia.org/wiki/Crust_(geology) A planetary structural layer is laminar part of a terrestrial planet or other rocky body large enough to have differentiation by density. Planetary layers have differing physicochemical properties and composition. Label should be improved to match definition. planetary structural layer A planetary mantle is a planetary layer which is an interior part of a terrestrial planet or other rocky body large enough to have differentiation by density. mantle This class is meant to be applicable accross planets. Earth's mantle would be an instance. planetary mantle A planetary mantle is a planetary layer which is an interior part of a terrestrial planet or other rocky body large enough to have differentiation by density. https://en.wikipedia.org/wiki/Mantle_(geology) A lithosphere is the outermost shell of a terrestrial-type planet or natural satellite that is defined by its rigid mechanical properties. Earth's lithosphere includes the crust and uppermost mantle. lithosphere A lithosphere is the outermost shell of a terrestrial-type planet or natural satellite that is defined by its rigid mechanical properties. https://en.wikipedia.org/wiki/Lithosphere Magma is a mixture of molten or semi-molten rock, volatiles, and solids that is found beneath the uppermost solid layer of a planetary body. Besides molten rock, magma may also contain suspended crystals, dissolved gas and sometimes gas bubbles. magma Magma is a mixture of molten or semi-molten rock, volatiles, and solids that is found beneath the uppermost solid layer of a planetary body. Besides molten rock, magma may also contain suspended crystals, dissolved gas and sometimes gas bubbles. https://en.wikipedia.org/wiki/Magma A channel of a watercourse which contains a stream. stream channel A stream channel which contains a river. river channel A settlement with a high density of buildings and inhabitants. See also: http://www.ecotope.org/anthromes/v1/guide/urban/12_dense_settlements/default.aspx The thresholds for what makes a settlment "dense" can be determined as needed. If there is a specific threshold that should be added to ENVO, please make a new class request. dense settlement A role that is realized in some process wherein the bearer is discarded or not utilized further. This definition is preliminary. waste role A geological fracture is any separation in a geologic formation, such as a joint or a fault that divides a mass of rock into two or more pieces. fracture SWEETRealm:Fissure fissure geological fracture A geological fracture is any separation in a geologic formation, such as a joint or a fault that divides a mass of rock into two or more pieces. https://en.wikipedia.org/wiki/Fracture_(geology) fissure Genomes:fissure A geological fault is a planar fracture or discontinuity in a volume of rock, across which there has been significant displacement as a result of rock mass movement. fault The relationship between faults and active plate boundaries must be further developed, as there is some overlap. geological fault An active fault is a fault that is likely to become the source of another earthquake sometime in the future. Geologists commonly consider faults to be active if there has been movement observed or evidence of seismic activity during the last 10,000 years. active fault environmental_hazards active geological fault Contaminated air is air which has sufficient concentrations of environmental pollutants such that it may adversely affect a given ecosystem. contaminated air An earthquake is a process during which energy is released in an astronomical body's crust, causing the displacement of crustal parts and the generation of seismic waves. quake temblor tremor environmental_hazards Elastic strain, gravity, chemical reactions, or even the motion of massive bodies can produce earthquakes. earthquake An earthquake is a process during which energy is released in an astronomical body's crust, causing the displacement of crustal parts and the generation of seismic waves. Adapted from URL:http://www.britannica.com/science/earthquake-geology https://en.wikipedia.org/wiki/Earthquake An earthquake caused by the sudden release of energy accumulated in an astronomical body's crust, as the elastic strain placed on constituent rock masses causes them to fracture. environmental_hazards tectonic earthquake An earthquake caused by the sudden release of energy accumulated in an astronomical body's crust, as the elastic strain placed on constituent rock masses causes them to fracture. URL:http://www.britannica.com/science/earthquake-geology A lake which has concentrations of environmental contaminants high enough to harm the ecosystems associated with it. environmental_hazards polluted lake A mass of water. water mass A coast is the area where land meets the sea, ocean, or lake. Used for both marine and lake coasts. The boundary of the coast is fuzzy and it overlaps both the water body and land in quesiton. Compared to 'shore' coast A coast is the area where land meets the sea, ocean, or lake. https://en.wikipedia.org/wiki/Coast A tsunami is a process during which a series of waves is generated in a water body, typically an ocean or large lake, by the displacement of a large volume of water. Earthquakes, volcanic eruptions and other underwater explosions (including detonations of underwater nuclear devices), landslides, glacier calvings, meteorite impacts and other disturbances above or below water all have the potential to generate a tsunami. seismic sea wave tidal wave environmental_hazards tsunami A tsunami is a process during which a series of waves is generated in a water body, typically an ocean or large lake, by the displacement of a large volume of water. Earthquakes, volcanic eruptions and other underwater explosions (including detonations of underwater nuclear devices), landslides, glacier calvings, meteorite impacts and other disturbances above or below water all have the potential to generate a tsunami. https://en.wikipedia.org/wiki/Tsunami Mass wasting is the geomorphic process by which solid environmental material such as soil, sand, regolith, and/or rock move downslope typically as a mass, largely under the force of gravity, but frequently affected by water and water content as in submarine environments and mudslides. mass movement slope movement environmental_hazards envoPolar Of interest for future development: Some causes of mass wasting earthquakes, increased overburden from structures, increased soil moisture, reduction of roots holding the soil to bedrock, undercutting of the slope by excavation or erosion, weathering by frost heave, bioturbation, volcanic edifice over-steepening. Some processes that reduce mass wasting: Afforestation, Reforestation, Terracing steps on slopes (reduce angle of slope). https://en.wikipedia.org/wiki/Mass_wasting. mass wasting Mass wasting is the geomorphic process by which solid environmental material such as soil, sand, regolith, and/or rock move downslope typically as a mass, largely under the force of gravity, but frequently affected by water and water content as in submarine environments and mudslides. https://en.wikipedia.org/wiki/Mass_wasting A landslide is a process whereby a large mass of earth and rocks moves down a hill or a mountainside. GEMET:http://www.eionet.europa.eu/gemet/concept/4668 landslip environmental_hazards landslide process A landslide is a process whereby a large mass of earth and rocks moves down a hill or a mountainside. https://en.wikipedia.org/wiki/Mass_wasting environmental_hazards mudslide Volcanic ash is an environmental material which consists of fragments of pulverized rock, minerals, and volcanic glass, created during volcanic eruptions and measuring less than 2 millimetres in diameter. Volcanic ash is formed during explosive volcanic eruptions, phreatomagmatic eruptions and during transport in pyroclastic density currents. volcanic ash Volcanic ash is an environmental material which consists of fragments of pulverized rock, minerals, and volcanic glass, created during volcanic eruptions and measuring less than 2 millimetres in diameter. Volcanic ash is formed during explosive volcanic eruptions, phreatomagmatic eruptions and during transport in pyroclastic density currents. https://en.wikipedia.org/wiki/Volcanic_ash Hydrological precipitation is a process during which any product of the condensation of atmospheric water vapour is pulled to the planetary surface by gravity. precipitation "process" is included in the label to make it clear that we are not referring to the precipitated material (e.g. snow, rain, sleet) hydrological precipitation process Hydrological precipitation is a process during which any product of the condensation of atmospheric water vapour is pulled to the planetary surface by gravity. https://en.wikipedia.org/wiki/Precipitation Soil degradation is a process which results in a change in soil health status resulting in a diminished capacity of the ecosystem in which the soil occurs to provide goods and services for its beneficiaries. soil degradation Soil degradation is a process which results in a change in soil health status resulting in a diminished capacity of the ecosystem in which the soil occurs to provide goods and services for its beneficiaries. FAO:http://www.fao.org/soils-portal/soil-degradation-restoration/en/ Coastal flooding is a process in which normally dry, low-lying land near a coast is flooded by sea water. environmental_hazards coastal flooding Coastal flooding is a process in which normally dry, low-lying land near a coast is flooded by sea water. https://en.wikipedia.org/wiki/Coastal_flood Riverine flooding is a process in which the flow rate of river water exceeds the capacity of its channel, thus flooding neighbouring land. Bends and meanders in a river channel are particularly disposed to such flooding. A disposition class such as 'flooding disposition' may be interesting, especially when attached to things like meanders and bends. environmental_hazards riverine flooding Riverine flooding is a process in which the flow rate of river water exceeds the capacity of its channel, thus flooding neighbouring land. Bends and meanders in a river channel are particularly disposed to such flooding. https://en.wikipedia.org/wiki/Flood#Riverine Flash flooding is a process in which low-lying land is inundated with water for a short period of time and are usually the result of precipitation or a breach in the container of a water body. environmental_hazards Flash floods generally last no more than six hours. http://www.srh.noaa.gov/mrx/hydro/flooddef.php flash flooding Flash flooding is a process in which low-lying land is inundated with water for a short period of time and are usually the result of precipitation or a breach in the container of a water body. https://en.wikipedia.org/wiki/Flash_flood An unusual accumulation of water above the ground caused by high tide, heavy rain, melting snow or rapid runoff from paved areas. environmental_hazards flood An unusual accumulation of water above the ground caused by high tide, heavy rain, melting snow or rapid runoff from paved areas. GEMET:http://www.eionet.europa.eu/gemet/concept/3298 A coastal flood is a flood which is formed as a result of large amounts of water from marine water bodies or large lakes being transported to usually dry land by displacement processes such as high winds or seismic activity. environmental_hazards coastal flood A coastal flood is a flood which is formed as a result of large amounts of water from marine water bodies or large lakes being transported to usually dry land by displacement processes such as high winds or seismic activity. https://en.wikipedia.org/wiki/Flood#Estuarine_and_coastal A flash flood is a flood formed by the rapid flooding of geomorphic low-lying areas. It may be caused by heavy rain associated with a severe thunderstorm, hurricane, tropical storm, or meltwater from ice or snow flowing over ice sheets or snowfields. Flash floods may also occur after the collapse of a natural ice or debris dam, or a human structure such as a man-made dam. Flash floods are distinguished from a regular flood by a timescale of less than six hours. environmental_hazards flash flood A flash flood is a flood formed by the rapid flooding of geomorphic low-lying areas. It may be caused by heavy rain associated with a severe thunderstorm, hurricane, tropical storm, or meltwater from ice or snow flowing over ice sheets or snowfields. Flash floods may also occur after the collapse of a natural ice or debris dam, or a human structure such as a man-made dam. Flash floods are distinguished from a regular flood by a timescale of less than six hours. https://en.wikipedia.org/wiki/Flash_flood A storm surge is a coastal flood which is caused by low-pressure weather systems such as tropical cyclones and strong extratropical cyclones, the severity of which is affected by the shallowness and orientation of the water body relative to storm path, and the timing of tides. Needs links to weather when these phenomena are added. environmental_hazards storm surge A storm surge is a coastal flood which is caused by low-pressure weather systems such as tropical cyclones and strong extratropical cyclones, the severity of which is affected by the shallowness and orientation of the water body relative to storm path, and the timing of tides. https://en.wikipedia.org/wiki/Storm_surge A meteotsunami is a tsunami caused by atmospheric processes and differences in air pressure. Ambiguity as to whether this label refers to the process or the material entities (the waves). The material entities are a type of severe storm surge. rissaga environmental_hazards meteotsunami A meteotsunami is a tsunami caused by atmospheric processes and differences in air pressure. https://en.wikipedia.org/wiki/Meteotsunami rissaga Language: Catalan A storm surge process is a coastal flooding process which is caused by low pressure weather systems such as tropical cyclones and strong extratropical cyclones, the severity of which is affected by the shallowness and orientation of the water body relative to storm path, and the timing of tides. Should be linked to the relevant weather classes when these are created. environmental_hazards storm surge process A storm surge process is a coastal flooding process which is caused by low pressure weather systems such as tropical cyclones and strong extratropical cyclones, the severity of which is affected by the shallowness and orientation of the water body relative to storm path, and the timing of tides. https://en.wikipedia.org/wiki/Storm_surge Areal flooding is a flooding process in which flat or low-lying areas become inundated with water due to water input exceeding infiltration, evaporation, or run off. environmental_hazards areal flooding Areal flooding is a flooding process in which flat or low-lying areas become inundated with water due to water input exceeding infiltration, evaporation, or run off. https://en.wikipedia.org/wiki/Flood#Areal Urban flooding is a flooding process in which land or property in a built environment, particularly in more densely populated areas, is inundated due to the rate of water input exceeding that of water drainage provided by the environment's drainage systems. Relevant to built environments and can be linked to urban flows. Also relevant to water and sanitation SDGs. environmental_hazards urban flooding Urban flooding is a flooding process in which land or property in a built environment, particularly in more densely populated areas, is inundated due to the rate of water input exceeding that of water drainage provided by the environment's drainage systems. https://en.wikipedia.org/wiki/Flood#Urban_flooding Condensation is a process during which a gas undergoes a phase transition into a liquid. condensation process Condensation is a process during which a gas undergoes a phase transition into a liquid. https://en.wikipedia.org/wiki/Condensation Desublimation is a process in which a portion of some gas undergoes a phase transition into a portion of some solid. deposition desublimation process Desublimation is a process in which a portion of some gas undergoes a phase transition into a portion of some solid. https://en.wikipedia.org/wiki/Deposition_(phase_transition) An environmental system which can sustain and allow the growth of an ecological population. EcoLexicon:habitat LTER:238 SWEETRealm:Habitat https://en.wikipedia.org/wiki/Habitat A habitat's specificity to an ecological population differentiates it from other environment classes. habitat An environmental system which can sustain and allow the growth of an ecological population. EnvO:EnvO A carbon emission process is any environmental process which outputs a carbon-bearing gas. carbon emission process envoPolar Requested for SDGIO. Likely to be revised. carbon-bearing gas emission process A process in which natural ecosystems present over an expanse of land are removed and replaced with anthropogenic ecosystems. An SDGIO request. Likely to be refined and revised. This looks like an aggregate class, subsuming a range of processes which can lead to degradation. These anthropogenic ecosystems may include urban or other built-up settlements or anthropogenic ecosystems used for activities such as forestry or agriculture. land consumption process A process in which natural ecosystems present over an expanse of land are removed and replaced with anthropogenic ecosystems. Adapted from EEA (1997) The concept of environmental space, Copenhagen, URL: http://www.eea.europa.eu/publications/92-9167-078-2/at_download/file An area of a planet's surface which is primarily composed of bedrock, desert pavement, scarp rock, talus, material exposed by slides, volcanic material, glacial debris, sand, material exposed during strip mining, gravel, and other accumulations of earthen material in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. The range of entities that are considered "barren land" are not exhaustive, making axiomatisation risky at this stage. Barren Land (Rock/Sand/Clay) NLCD:31 envoPolar nlcd2011 According to the NLCD 2011, areas of barren land generally have less than 15% cover of vegetation. A specific threshold is not asserted in this definition. area of barren land An area of a planet's surface which is primarily composed of bedrock, desert pavement, scarp rock, talus, material exposed by slides, volcanic material, glacial debris, sand, material exposed during strip mining, gravel, and other accumulations of earthen material in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. https://en.wikipedia.org/wiki/Exosphere https://en.wikipedia.org/wiki/Planetary_surface https://www.mrlc.gov/nlcd11_leg.php A part of an astronomical body which is primarily composed of a continuous volume of gaseous or aerosolised material held in shape by one or more environmental processes. This may not need to be in the atmosphere, also note that "meteor" will do much of the same work. envoAtmo Similar, in spirit, to landform. This class may need to be split into aerosols and 'pure' volumes of gas. aeroform A cloud is a visible mass of aerosolised liquid droplets or frozen crystals suspended in an atmosphere above the surface of a planetary body. cloud mass envoAtmo On Earth clouds are formed by the saturation of air in the homosphere when air cools or gains water vapor. Please use the "water-based cloud" class and its subclasses for Earth's clouds. Note that this class describes clouds as countable objects, rather than 'cloud material'. It also refers only to clouds made up of a water-based material. cloud A cloud is a visible mass of aerosolised liquid droplets or frozen crystals suspended in an atmosphere above the surface of a planetary body. https://cloudatlas.wmo.int/introduction-and-principles-of-cloud-classification.html https://en.wikipedia.org/wiki/Cloud A carbon emission process is any environmental process which releases carbon dioxide gas into the atmosphere. envoPolar Requested for SDGIO. This class may be revised in future once the offical definitions become more clear. carbon dioxide emission process A mass of solid material which is primarily composed of plastic. Plastikstück pedazo de plástico pezzo di plastica envoPlastics piece of plastic A planned process during which a portion of environmental material is removed from a material entity. Created for SDGIO and intended to be a more general form of resource extraction process. material extraction process A fire is a process whereby rapid and exothermic oxidation of a material through a combustion process releases heat, light, and other products. Not to be confused with a flame - the visible portion of gas released by a fire . Oxidation processes such as rusting or biological digestion are not subsumed here. fire A fire is a process whereby rapid and exothermic oxidation of a material through a combustion process releases heat, light, and other products. http://www.eionet.europa.eu/gemet/en/concept/3212 https://en.wikipedia.org/wiki/Fire A process whereby a large volume of gas moves due to a disequilibrium of physical forces. wind envoAtmo envoPolar This class refers to all forms of "wind": from the familiar movement of air in the Earth's atmosphere to the solar wind. Use a subclass to be more precise. mass gaseous flow A process whereby a large volume of gas moves due to a disequilibrium of physical forces. https://en.wikipedia.org/wiki/Wind wind A mass gaseous flow which occurrs in a planet's atmosphere due to internal pressure disequilibria. envoAtmo envoPolar atmospheric wind A mass gaseous flow which occurrs in a planet's atmosphere due to internal pressure disequilibria. https://en.wikipedia.org/wiki/Wind A material entity which is composed of one or more chemical entities and has neither independent shape nor volume but tends to expand indefinitely. This class is to be populated by inference. gas gaseous environmental material A material entity which is composed of one or more chemical entities and has neither independent shape nor volume but tends to expand indefinitely. http://www.merriam-webster.com/dictionary/gas A material entity which is composed of a volume of unbound positive and negative particles in roughly equal numbers, conducts electricity, and possesses internal magnetic fields. An NTR for `quality of a plasma` has been posted on the PATO tracker: https://github.com/pato-ontology/pato/issues/88 plasma A material entity which is composed of a volume of unbound positive and negative particles in roughly equal numbers, conducts electricity, and possesses internal magnetic fields. http://www.merriam-webster.com/dictionary/plasma https://en.wikipedia.org/wiki/Plasma_%28physics%29 An object which is naturally occuring, bound together by gravitational or electromagnetic forces, and surrounded by space. celestial body envoAstro Astronomical bodies are usually cohesive, thus the use of the term 'object' sensu BFO 'object'. astronomical body An object which is naturally occuring, bound together by gravitational or electromagnetic forces, and surrounded by space. https://en.wikipedia.org/wiki/Astronomical_object A planet is an astronomical body orbiting a star or stellar remnant that is massive enough to be rounded by its own gravity, is not massive enough to cause thermonuclear fusion, and has cleared its neighbouring region of planetesimals. envoAstro envoPolar Considerable debate on the definition of planet exists. planet A planet is an astronomical body orbiting a star or stellar remnant that is massive enough to be rounded by its own gravity, is not massive enough to cause thermonuclear fusion, and has cleared its neighbouring region of planetesimals. http://solarsystem.nasa.gov/planets/whatisaplanet https://en.wikipedia.org/wiki/Planet An astronomical object which is composed primarily of luminous plasma held in a spherical form by gravitational forces. Add qualities such as spherical. Request NTRs if not available in PATO. envoAstro envoPolar star An astronomical object which is composed primarily of luminous plasma held in a spherical form by gravitational forces. https://en.wikipedia.org/wiki/Star An object which is composed of one or more gravitationally bound structures that are associated with a position in space. celestial object envoAstro If there is only one astronomical body involved, this class is equivalent to ENVO:01000799. This may be problematic with reasoning, but it seems to be true to the rather fuzzy definitions found thus far. astronomical object An object which is composed of one or more gravitationally bound structures that are associated with a position in space. https://en.wikipedia.org/wiki/Astronomical_object A material part of an astronomical body. envoAstro envoPolar astronomical body part An environmental material which is in a solid state. This is a defined class: its subclasses will not be asserted, but filled by inference. solid environmental material An environmental material which is in a liquid state. envoPolar This is a defined class: most of its subclasses will not be asserted, but filled by inference. liquid environmental material A biosphere is a part of an astronomical body which includes, as parts, all the living entities within the gravitational sphere of influence of that body, as well as the non-living and dead entities with which they interact. Whether this class should be grouped with classes such as "hydrosphere" and "cryosphere" requires some discussion. envoAstro envoPolar The gravitational sphere of influence referenced in this class' definition is the Hill sphere: a region in which an object dominates the attraction of satellites despite gravitational perturbations. biosphere A biosphere is a part of an astronomical body which includes, as parts, all the living entities within the gravitational sphere of influence of that body, as well as the non-living and dead entities with which they interact. http://www.biology-online.org/dictionary/Biosphere https://en.wikipedia.org/wiki/Biosphere An astronomical body part which is composed of the combined mass of water found on, under, and over the surface of a planet. envoAstro envoPolar This is a very broad and, in practice, poorly defined term. Please consider using or requesting a more specific class. hydrosphere An astronomical body part which is composed of the combined mass of water found on, under, and over the surface of a planet. https://en.wikipedia.org/wiki/Hydrosphere An astronomical body part which is composed of soil, subject to soil formation processes, and found on the surface of a lithosphere. envoAstro This is a very broad and, in practice, poorly defined term. Please consider using or requesting a more specific class. pedosphere An astronomical body part which is composed of soil, subject to soil formation processes, and found on the surface of a lithosphere. https://en.wikipedia.org/wiki/Pedosphere Air which has increased levels of water vapour. humid air Air which has a partial pressure of water vapour equal or near equal to its equilibrium vapor pressure at a given temperature. water-vapour-saturated air wet air "Near equal" is meant to reflect that there will be fluctuations around the equilibrium point. water vapour saturated air A hydrological precipitation process in which atmospheric water vapour condenses to form droplets of liquid water massive enough to fall to a planetary surface due to the planet's gravity. rain fall rainfall rain envoPolar This is the process which typically happens on Earth. Other planets may have different liquids involved in the process. water-based rainfall A hydrological precipitation process in which atmospheric water vapour condenses to form droplets of liquid water massive enough to fall to a planetary surface due to the planet's gravity. https://en.wikipedia.org/wiki/Rain A droplet is a small column of liquid, bounded completely or almost completely by free surfaces which maintains its shape due to the surface tension of the liquid. drop No attempt is made to differentiate between drops and droplets. This may be added, if requested. droplet A droplet is a small column of liquid, bounded completely or almost completely by free surfaces which maintains its shape due to the surface tension of the liquid. A droplet formed by condensation of vapour in an atmosphere and which is sufficiently massive to overcome atmospheric resistance and fall to a planetary surface due to gravity. raindrop A droplet of water A defined class which should be filled by inference. water droplet raindrop This is the class intended for use when describing raindrops on Earth. These typically have a diamter of 0.1 to 9 millimetres. water raindrop A droplet which is spherical in shape and suspended in an atmosphere, being of too small a mass to be pulled to a planetary surface by gravity. cloud droplet A droplet which is spherical in shape and suspended in an atmosphere, being of too small a mass to be pulled to a planetary surface by gravity. A cloud droplet composed primarily of water. cloud drop cloud droplet water based cloud droplet water-based cloud droplet Smoke is a collection of airborne solid and liquid particulates and gases emitted when a material undergoes combustion or pyrolysis, together with the quantity of gas that is entrained or otherwise mixed into the mass smoke Smoke is a collection of airborne solid and liquid particulates and gases emitted when a material undergoes combustion or pyrolysis, together with the quantity of gas that is entrained or otherwise mixed into the mass https://en.wikipedia.org/wiki/Smoke Combustion or burning is a high-temperature exothermic redox chemical reaction between a fuel and an oxidant that produces oxidized, often gaseous products, in a mixture termed as smoke. This class may be surrendered to REX. Unlike the "combustion" class in the Chemical Methods Ontology, this class is not necessarily a planned process. http://purl.obolibrary.org/obo/CHMO_0001473 combustion process Combustion or burning is a high-temperature exothermic redox chemical reaction between a fuel and an oxidant that produces oxidized, often gaseous products, in a mixture termed as smoke. https://en.wikipedia.org/wiki/Combustion A chemical decomposition (the separation of a single chemical compound into its two or more elemental parts or to simpler compounds) caused by heat. thermal decomposition thermolysis A thermolysis process in which organic material is decomposed in the absence of oxygen. pyrolysis A fog which is intermixed with smoke or other combustion products and their derivatives. smog A visible mass of cloud water droplets or ice crystals suspended in the air at or near the surface of an astronomical body. haar envoCryo Fog is more opaque than mist, reducing visibility to under one kilometre. This class refers only to fog formed by materials primarily composed of water. "Fog can be considered a type of low-lying cloud and is heavily influenced by nearby bodies of water, topography, and wind conditions. In turn, fog has affected many human activities, such as shipping, travel, and warfare." https://en.wikipedia.org/wiki/Fog fog A visible mass of cloud water droplets or ice crystals suspended in the air at or near the surface of an astronomical body. https://en.wikipedia.org/wiki/Fog A solid material whose constituents, such as atoms, molecules or ions, are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. This class refers to a portion of crystal and not an individual crystal. crystal A solid material whose constituents, such as atoms, molecules or ions, are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. https://en.wikipedia.org/wiki/Crystal A crystal which is primarily composed of water ice. ice crystal envoPolar Any one of a number of macroscopic, crystalline forms in which ice appears, including hexagonal columns, hexagonal platelets, dendritic crystals, ice needles, and combinations of these forms. The crystal lattice of ice is hexagonal in its symmetry under most atmospheric conditions. water ice crystal Any one of a number of macroscopic, crystalline forms in which ice appears, including hexagonal columns, hexagonal platelets, dendritic crystals, ice needles, and combinations of these forms. The crystal lattice of ice is hexagonal in its symmetry under most atmospheric conditions. An area of a planet's surface which is primarily covered by a shrubs, young trees, or stunted trees.. The surfaces of this area are in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. As noted in Wikipedia: "Because the criteria are matters of degree rather than of kind, the definition of a subshrub is not sharply distinguishable from that of a shrub" shrub/scrub NLCD:52 area of shrub nlcd2011 According to the NLCD 2011, areas of scrub or shrub are dominated by shrubs; less than 5 meters tall with shrub canopy typically greater than 20% of total vegetation. This class includes true shrubs, young trees in an early successional stage or trees stunted from environmental conditions. Such thresholds - which are themselves fuzzy - are not asserted in this definition. area of scrub An area of a planet's surface which is primarily covered by a shrubs, young trees, or stunted trees.. The surfaces of this area are in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. http://dx.doi.org/10.1016/j.rse.2015.07.014 https://en.wikipedia.org/wiki/Exosphere https://en.wikipedia.org/wiki/Planetary_surface https://en.wikipedia.org/wiki/Subshrub https://www.mrlc.gov/nlcd11_leg.php As noted in Wikipedia: "Because the criteria are matters of degree rather than of kind, the definition of a subshrub is not sharply distinguishable from that of a shrub" https://en.wikipedia.org/wiki/Subshrub A precipitation process is a process in which a portion of some substance segregates from a material in which that substance or its precursors were dissolved or suspended in and settles due to a force such as gravity or centrifugal force. precipitation process A precipitation process is a process in which a portion of some substance segregates from a material in which that substance or its precursors were dissolved or suspended in and settles due to a force such as gravity or centrifugal force. https://en.wikipedia.org/wiki/Precipitation_%28chemistry%29 https://en.wikipedia.org/wiki/Precipitation A storm is an environmental process in which an environmental system and the processes it participates in are strongly perturbed by external forcings. These forcings typically increase the rates of processes unfolding in the system, relative to their normal rates. environmental_hazards The threshold of what constitutes "strong" perturbation is not defined here due to considerable semantic variation. If a specific threshold is required, please request a new term. storm An atmospheric storm is a process in which a portion of an astronomical body's atmosphere is strongly perturbed from its prevaling weather. environmental_hazards atmospheric storm An atmospheric storm is a process in which a portion of an astronomical body's atmosphere is strongly perturbed from its prevaling weather. https://en.wikipedia.org/wiki/Storm An atmospheric storm which occurs in cumulonimbus clouds and during which lightning and thunder occur. electrical storm lightning storm environmental_hazards Thunderstorms may or may not involve processes which result in strong winds, heavy rain, snow, sleet, hail, or other forms of precipitation. thunderstorm An atmospheric storm during which freezing rain falls and accumulates as ice on exposed surfaces. Note it is a hazard, could perhaps later link to https://github.com/Vocamp/Hazard or https://github.com/Vocamp/Hazard/blob/master/concept-map/ModifiedHazardousSituation.png and https://github.com/SDG-InterfaceOntology/sdgio/issues/14 2021-04-14T18:57:18.275Z glaze event glaze storm ice storm silver storm silver thaw glaze event silver thaw environmental_hazards envoAtmo envoCryo envoPolar Icestorms are associated with multiple hazards. Significant accumulations of ice pull down trees and utility lines resulting in loss of power and communication. These accumulations of ice make walking and driving extremely dangerous. Significant ice accumulations are usually accumulations of 0.25 inch or 0.60 cm or more. Has synonyms silver storm, glaze storm. The U.S. National Weather Service defines an ice storm as a storm which results in the accumulation of at least 0.25-inch (6.4 mm) of ice on exposed surfaces. icestorm An atmospheric storm during which freezing rain falls and accumulates as ice on exposed surfaces. Icestorms are associated with multiple hazards. Significant accumulations of ice pull down trees and utility lines resulting in loss of power and communication. These accumulations of ice make walking and driving extremely dangerous. Significant ice accumulations are usually accumulations of 0.25 inch or 0.60 cm or more. Has synonyms silver storm, glaze storm. The U.S. National Weather Service defines an ice storm as a storm which results in the accumulation of at least 0.25-inch (6.4 mm) of ice on exposed surfaces. Hauer RJ, Dawson JO, Werner LP (2006) Trees and Ice Storms - The Development of Ice Storm-Resistant Urban Tree Populations (2 ed.). College of Natural Resources, University of Wisconsin–Stevens Point, and the Department of Natural Resources and Environmental Sciences and the Office of Continuing Education, University of Illinois at Urbana-Champaign. http://web.extension.uiuc.edu/forestry/publications/pdf/urban_community_forestry/trees_and_ice_storms_2006.pdf https://en.wikipedia.org/wiki/Ice_storm An area of a planet's surface which is primarily covered by cultivated or anthropically maintained vegetation planted for recreation, erosion control, or aesthetic purposes interspersed by constructed or manufactured objects and materials. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. This class is in need of refinement, particularly in linking to other entities in the ontology. This would be helped by more clear listings of entities included in this classification. However, the class is suitable for use in annotating remotely sensed land types. developed, open space NLCD:21 nlcd2011 According to the NLCD 2011, areas of developed open space are dominated by vegetation such as lawn grasses and include large-lot single-family housing units, parks, golf courses. Further, it is asserted that "impervious surfaces", most likely referring to concrete and related substances, cover less than 20% of the area. Such thresholds - which are themselves fuzzy - are not asserted in this definition. area of developed open space An area of a planet's surface which is primarily covered by cultivated or anthropically maintained vegetation planted for recreation, erosion control, or aesthetic purposes interspersed by constructed or manufactured objects and materials. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. https://en.wikipedia.org/wiki/Exosphere https://en.wikipedia.org/wiki/Planetary_surface https://www.mrlc.gov/nlcd11_leg.php An area of a planet's surface which is primarily covered by sedges or forbs, possibly interpersed with grasses or grass-like plants. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. This class is in need of refinement, particularly in linking to other entities in the ontology. However, it is suitable for use in annotating remotely sensed land types. sedge/herbaceous NLCD:72 nlcd2011 According to the NLCD 2011, at least 80% of these areas are covered by sedge or forbs. Such thresholds - which are themselves fuzzy - are not strictly asserted in this definition. The NLCD description also notes that land covered by sedge tundra and sedge tussock tundra are subsumed in this category. The original definition notes that this is intended as an "Alaska only" category. area of sedge- and forb-dominated herbaceous vegetation An area of a planet's surface which is primarily covered by sedges or forbs, possibly interpersed with grasses or grass-like plants. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. https://en.wikipedia.org/wiki/Exosphere https://en.wikipedia.org/wiki/Planetary_surface https://www.mrlc.gov/nlcd11_leg.php An area of a planet's surface which is primarily covered by gramanoid or herbaceous vegetation and which is not subject to intensive management by humans. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. This class is in need of refinement, particularly in linking to other entities in the ontology. However, it is suitable for use in annotating remotely sensed land types. grassland/herbaceous NLCD:71 nlcd2011 According to the NLCD 2011, at least 80% of these areas are covered by grasslands or non-woody, herbaceous plants. Such thresholds - which are themselves fuzzy - are not strictly asserted in this definition. The NLCD description also notes that, while no "intensive" management such as tilling is performed in these areas, they may be used for grazing. area of gramanoid or herbaceous vegetation An area of a planet's surface which is primarily covered by gramanoid or herbaceous vegetation and which is not subject to intensive management by humans. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction. https://en.wikipedia.org/wiki/Exosphere https://en.wikipedia.org/wiki/Planetary_surface https://www.mrlc.gov/nlcd11_leg.php A hydrological process in which irregular aggregates of snow fall to the surface of an astronomical body. This is currently bound to water-based snow on Earth, may need revisions for interplanetary applications 2021-04-14T18:57:18.275Z snow fall environmental_hazards envoCryo envoPolar snowfall Water-based rainfall which freezes either 1) on impact with a surface to form a coating of clear ice (glaze) or 2) after percolating through surface layers. This term exists, we're revising the definition with ESIP semantic Harmonization group, delete the old one. Consider adding axioms like PATO:"decreased temperature" to this and other cold forms of precipitation, such that we can create a grouping class to be filled by inference (with hail, sleet, snow, freezing rain). Something like precipitation below the liquid-solid phase transition point of water. 2021-04-14T18:57:18.275Z METAR:FZRA freezing rain freezing rain fall environmental_hazards envoCryo envoPolar A surface temperature inversion is usually required. In such an inversion, the surface must have a temperature below freezing, while the temperature of the atmosphere where the precipitation forms is above freezing. Alternately, if the temperature of the ground surface and glazed objects is typically near or below freezing (0C or 32F), it is necessary that the water drops be supercooled before striking. Freezing rain can sometimes occur on surfaces exposed to the air (such as tree limbs) with air temperatures slightly above freezing in strong winds. Local evaporational cooling may result in freezing. Freezing rain frequently occurs, therefore, as a transient condition between the occurrence of rain and ice pellets (sleet). When encountered by an aircraft in flight, freezing rain can cause a dangerous accretion of clear icing. In aviation weather observations, this hydrometeor is encoded ZR by NOAA. freezing rainfall Water-based rainfall which freezes either 1) on impact with a surface to form a coating of clear ice (glaze) or 2) after percolating through surface layers. A surface temperature inversion is usually required. In such an inversion, the surface must have a temperature below freezing, while the temperature of the atmosphere where the precipitation forms is above freezing. Alternately, if the temperature of the ground surface and glazed objects is typically near or below freezing (0C or 32F), it is necessary that the water drops be supercooled before striking. Freezing rain can sometimes occur on surfaces exposed to the air (such as tree limbs) with air temperatures slightly above freezing in strong winds. Local evaporational cooling may result in freezing. Freezing rain frequently occurs, therefore, as a transient condition between the occurrence of rain and ice pellets (sleet). When encountered by an aircraft in flight, freezing rain can cause a dangerous accretion of clear icing. In aviation weather observations, this hydrometeor is encoded ZR by NOAA. A process during which a sudden flow of electricity occurs, often accompanied by a visible release of photons, between two electrically charged objects due to contact, an electrical short, or dielectric breakdown. This should probably be moved to an ontology of physical processes when one is created, and be imported back into ENVO. electrostatic discharge process A process during which a sudden flow of electricity occurs, often accompanied by a visible release of photons, between two electrically charged objects due to contact, an electrical short, or dielectric breakdown. https://en.wikipedia.org/wiki/Electrostatic_discharge A sudden electrostatic discharge which occurs during an electrical storm as differentially charged atmospheric entities equalise their charge. lightning environmental_hazards atmospheric lightning A sudden electrostatic discharge which occurs during an electrical storm as differentially charged atmospheric entities equalise their charge. https://en.wikipedia.org/wiki/Lightning A petting zoo is a zoological garden which contains domesticated non-human animals and some wild non-human animals that are docile enough for humans to touch and feed. petting farm children's zoo Petting zoos are often nested within a zoological garden featuring wild non-human animals, not docile enough for humans to touch. petting zoo A petting zoo is a zoological garden which contains domesticated non-human animals and some wild non-human animals that are docile enough for humans to touch and feed. https://en.wikipedia.org/wiki/Petting_zoo A facility in which non-human animals are slaughtered and processed for human consumption. slaughter plant slaughterhouse slaughterhouse butchery meat processing building abattoir A facility in which non-human animals are slaughtered and processed for human consumption. https://en.wikipedia.org/wiki/Slaughterhouse A building which is used to care for a human child during the working day by a person, outside the child's immediate family, other than that child's legal guardians. child care building daycare building This is a kind of day care facility. A facility need not be a building. day care building A building which is used to care for a human child during the working day by a person, outside the child's immediate family, other than that child's legal guardians. https://en.wikipedia.org/wiki/Day_care A building within which food and drink are prepared and served to customers in exchange for money or other goods and/or services. eatery restaurant A building within which food and drink are prepared and served to customers in exchange for money or other goods and/or services. https://en.wikipedia.org/wiki/Restaurant A part of an ecosystem which may be or has been used for one or more overnight stays by humans sheltering in tents, camper vans, caravans, or improvised shelters. This is a very ambiguous term with wide-ranging usage patterns across cultural groups and regions. camping ground camping pitch camping site campsite campground A part of an ecosystem which may be or has been used for one or more overnight stays by humans sheltering in tents, camper vans, caravans, or improvised shelters. https://en.wikipedia.org/wiki/Campsite Regions of a planet which are not exposed to the planet's atmosphere or space, often comprising parts of one or more planetary structural layers. planetary subsurface zone A piece of plastic which has a diameter less than five millimetres. microplastic envoPlastics This classification is based on the thresholds detailed in GESAMP report # 99 on recommendation from the SDG 14 indicator team. While the definition is in accordance with the common use of this term (as per GESAMP report # 99), alternative size classifications exist. Alternative classifications are a piece of plastic which is between 1 and 5 millimetres in diameter, a piece of plastic which has a diameter less than 1 millimetre, or a piece of plastic which has a diameter greater than 330 micrometres. The use of the word diameter in this case was understood to mean the generalised form of diameter, i.e. the largest distance between two points belonging to an object. microplastic particle A piece of plastic which has a diameter less than five millimetres. https://en.wikipedia.org/wiki/Microplastics https://marinedebris.noaa.gov/file/2192/download?token=5dvqb-YY This classification is based on the thresholds detailed in GESAMP report # 99 on recommendation from the SDG 14 indicator team. While the definition is in accordance with the common use of this term (as per GESAMP report # 99), alternative size classifications exist. Alternative classifications are a piece of plastic which is between 1 and 5 millimetres in diameter, a piece of plastic which has a diameter less than 1 millimetre, or a piece of plastic which has a diameter greater than 330 micrometres. The use of the word diameter in this case was understood to mean the generalised form of diameter, i.e. the largest distance between two points belonging to an object. A microplastic particle which is derived from the breakdown of larger plastic debris. Sekundäres Mikroplastik microplastica secondaria microplástico secundario microplastic envoPlastics The debris that make up the Great Pacific Garbage Patch constantly release microplastics as they break down. secondary microplastic particle A microplastic particle which is derived from the breakdown of larger plastic debris. https://en.wikipedia.org/wiki/Microplastics https://marinedebris.noaa.gov/file/2192/download?token=5dvqb-YY An environmental system in which minimal to no anthropisation has occurred and non-human agents are the primary determinants of the system's dynamics and composition. non-anthropised environment non-anthropized environment In most contexts, 'natural' is defined by the lack of intervention or influence by humans and their activities. On Earth, most environments fall on a scale between completely natural and anthropised. natural environment An environmental system in which minimal to no anthropisation has occurred and non-human agents are the primary determinants of the system's dynamics and composition. https://en.wikipedia.org/wiki/Anthropization https://en.wikipedia.org/wiki/Natural_environment A process during which a natural environmental system is altered by human action. anthropization An area may be classified as anthropized even though it looks natural, such as grasslands that have been deforested by humans. It can be difficult to determine how much a site has been anthropized in the case of urbanization because one must be able to estimate the state of the landscape before significant human action. anthropisation A process during which a natural environmental system is altered by human action. https://en.wikipedia.org/wiki/Anthropization An area may be classified as anthropized even though it looks natural, such as grasslands that have been deforested by humans. It can be difficult to determine how much a site has been anthropized in the case of urbanization because one must be able to estimate the state of the landscape before significant human action. https://en.wikipedia.org/wiki/Anthropization A planet that is composed primarily of silicate rocks or metals. rocky planet telluric planet Earth-like planet envoAstro terrestrial planet A planet that is composed primarily of silicate rocks or metals. https://en.wikipedia.org/wiki/Terrestrial_planet A construction which is designed to hold water in which humans may swim or perform other leisure activities. pool paddling pool swimming bath swimming pool wading pool constructed swimming pool A construction which is designed to hold water in which humans may swim or perform other leisure activities. https://en.wikipedia.org/wiki/Swimming_pool A constructed swimming pool which is owned by a governmental or state entity. pool swimming pool public swimming pool A constructed swimming pool which is owned by a governmental or state entity. https://en.wikipedia.org/wiki/Private_ownership https://en.wikipedia.org/wiki/Swimming_pool A process whereby a volume of liquid moves due to a disequilibrium of physical forces. envoPolar This class can refer to the flow of any material in a liquid phase. mass liquid flow A process whereby a volume of liquid moves due to a disequilibrium of physical forces. https://en.wikipedia.org/wiki/Wind A material transport process during which a volume of liquid water is transported due to a disequilibria in physical forces. environmental_hazards water flow process A part of an astronomical body which includes, as parts, all the entities which have been constructed or manufactured by humans or their technology and which are within the gravitational sphere of influence of that body. envoAstro The gravitational sphere of influence referenced in this class' definition is the Hill sphere: a region in which an object dominates the attraction of satellites despite gravitational perturbations. technosphere A part of an astronomical body which includes, as parts, all the entities which have been constructed or manufactured by humans or their technology and which are within the gravitational sphere of influence of that body. http://dx.doi.org/10.1177/2053019616677743 http://www.yourdictionary.com/technosphere https://www.sciencedaily.com/releases/2016/11/161130085021.htm A planned process during which raw or recycled materials are transformed into products for use or sale using labour and machines, tools, chemical and biological processing, or formulation. The term may refer to a range of human activity, from handicraft to high tech, but is most commonly applied to industrial production, in which raw materials are transformed into finished goods on a large scale. manufacturing process A planned process during which raw or recycled materials are transformed into products for use or sale using labour and machines, tools, chemical and biological processing, or formulation. https://en.wikipedia.org/wiki/Manufacturing The term may refer to a range of human activity, from handicraft to high tech, but is most commonly applied to industrial production, in which raw materials are transformed into finished goods on a large scale. https://en.wikipedia.org/wiki/Manufacturing A manufacturing process which occurs on a planet. Whether this is within the planet's Hill sphere, the region which extends from its exosphere to its core, or some other planetary region is not clear. See https://github.com/EnvironmentOntology/envo/issues/513 for discussion. planetary manufacturing process An process during which natural or manufactured materials and products are processed and arranged by humans or their technology into structures. The nature of "structures" must be further specified. human-directed construction process An environmental system which is determined by materials bearing roughly homogeneous qualities. Organisational class. Not intended for annotation. environmental system determined by a quality An environmental system within which an environmental material strongly influences the system's composition and properties. Organisational class. Not intended for annotation. Subclasses describe environments which are usually permeated by an environmental material. They may also describe environments which are sufficiently close to a material, that their dynamics are strongly influenced by it (e.g. a patch of forest ecosystem neighbouring a uranium dump). environmental system determined by a material An environmental system which is determined by a living organism. host-associated environment envoEmpo envoOmics environmental system determined by an organism An environmental system determined by a green plant. Plant plant environment Viridiplantae-associated environment envoEmpo envoOmics plant-associated environment Plant http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environmental system determined by an animal. Animal animal environment Metazoan-associated environment envoEmpo envoMeo envoOmics animal-associated environment Animal http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ Underground water which is located in pore spaces found in rock or unconsolidated deposits such as soil, clay, or gravel. ground water The definition of aquifer is quite permissive, referencing any water bearing rock or unconsolidated material. groundwater Underground water which is located in pore spaces found in rock or unconsolidated deposits such as soil, clay, or gravel. https://en.wikipedia.org/wiki/Groundwater A meteor is any matter- or energy-based entity which is located in the atmosphere of an astronomical body. envoAtmo meteor A meteor is any matter- or energy-based entity which is located in the atmosphere of an astronomical body. https://cloudatlas.wmo.int/other-meteors.html A meteor which is primarily composed of water. envoAtmo hydrometeor A meteor which is primarily composed of water. https://cloudatlas.wmo.int/other-meteors.html A meteor which is primarily composed of rock. envoAtmo lithometeor A lake which has formed as the result of processes that are not or are only minimally driven by human activity. This class is to be filled by inference. natural lake A process during which energy is emitted or transmitted in the form of waves or particles through space or a material medium. Requires addition of waves for full axiomatisation. This should be linked to "subatomic particle" with an "or". Note that ENVO represents space as an environmental material (a hard vacuum with sparse material inclusions). environmental_hazards envoAstro radiation A process during which energy is emitted or transmitted in the form of waves or particles through space or a material medium. https://en.wikipedia.org/wiki/Radiation A radiation process during which energy is transmitted or emitted by means of fast-moving subatomic particles. environmental_hazards envoAstro particle radiation A radiation process during which energy is transmitted or emitted by means of fast-moving subatomic particles. https://en.wikipedia.org/wiki/Particle_radiation A particle radiation process during which subatomic particles move in the same direction. environmental_hazards envoAstro particle beam radiation A particle radiation process during which subatomic particles move in the same direction. https://en.wikipedia.org/wiki/Particle_radiation A radiation process during which waves (or their quanta, photons) of the electromagnetic field propagate (radiate) through space carrying electromagnetic energy. EM radiation environmental_hazards envoAstro Note that this class is concerned only with active radiative processes: static electric and magnetic fields are not inlcuded. All electromagnetic radiation carries radiant energy. electromagnetic radiation A radiation process during which waves (or their quanta, photons) of the electromagnetic field propagate (radiate) through space carrying electromagnetic energy. https://en.wikipedia.org/wiki/Electromagnetic_radiation A radiation process during which mechanical waves generated by oscillations radiate through an environmental material. envoAstro The mechanical waves generated by this process are also referred to as pressure waves. acoustic radiation A radiation process during which mechanical waves generated by oscillations radiate through an environmental material. https://en.wikipedia.org/wiki/Acoustics https://en.wikipedia.org/wiki/Mechanical_wave https://en.wikipedia.org/wiki/Vibration An environmental system which has its properties and dynamics determined by feces. Animal distal gut envoEmpo envoMeo envoOmics fecal environment Animal distal gut http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ The label of this EMPO class is ambiguous, but pers. comm. with L Thompson (http://orcid.org/0000-0002-3911-1280) reveals that this is essentially limited to fecal samples. An environmental system which has its properties and dynamics determined by a bodily secretion of a metazoan. Animal secretion envoEmpo envoMeo envoOmics environment determined by a metazoan secretion Animal secretion http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environment which is determined by materials which bear significant concentrations of salts. Saline envoEmpo The thresholds for "significant" concentrations of salts vary widely and thus no committment is made in this class. Subclasses with more explicit thresholds can be made upon request. saline environment Saline http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environmental system which has its properties and dynamics determined by soil. Soil (non-saline) envoEmpo envoOmics soil environment Soil (non-saline) http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environmental system which has its properties and dynamics determined by the subsurface zone of a planet. envoEmpo envoMeo envoOmics planetary subsurface environment An environmental system which has its properties and dynamics determined by those parts of a planetary subsurface zone which are not saline. Subsurface (non-saline) envoEmpo envoMeo envoOmics non-saline planetary subsurface environment Subsurface (non-saline) http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environmental system which has its properties and dynamics determined by sediment. envoEmpo envoOmics sediment environment An environmental system which has its properties and dynamics determined by an aerosol. envoEmpo envoOmics aerosol environment An environmental system which has its properties and dynamics determined by a saline aerosol. Aerosol (saline) envoEmpo envoOmics saline aerosol environment Aerosol (saline) http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ seaspray or other aerosolized saline material (>5 psu) An environmental system which has its properties and dynamics determined by an aerosol with a low concentration of dissolved solutes. Aerosol (non-saline) envoEmpo envoOmics non-saline aerosol environment Aerosol (non-saline) http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ aerosolized dust or liquid An environmental system determined by part of a living or dead animal, or a whole small animal. Animal corpus envoEmpo envoMeo envoOmics environment associated with an animal part or small animal Animal corpus http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An environmental system determined by part of a living or dead plant, or a whole small plant. Plant corpus envoEmpo envoMeo envoOmics environment associated with a plant part or small plant Plant corpus http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/ An astronomical body which is composed of rocky or metallic materials and is considerably smaller than asteroids. envoAstro meteoroid An astronomical body which is composed of rocky or metallic materials and is considerably smaller than asteroids. https://en.wikipedia.org/wiki/Meteoroid A material which is composed primarily of one or more pure metals and which shows their properties. Far more axiomatisation can be done should the qualities of metals be added to PATO or a similar quality ontology. However, note that there are many exceptions to the typical qualities of the majority of metals. metal While this class allows for some degree of contamination by non-metal substances, the material represented should show at least some of the typical features of a pure metal: hardness (except for liquid metals), opacity, lustre, malleability, fusibility, ductile and good electrical and thermal conductivity. metallic material A material which is composed primarily of one or more pure metals and which shows their properties. https://en.wikipedia.org/wiki/Metal Environmental variability which inheres in an astronomical body part or in outer space. This class refers to all weather, including atmospheric and space weather. Please use a subclass for more specificity. weather Environmental variability which inheres in an astronomical body part or in outer space. https://en.wikipedia.org/wiki/Space_weather https://en.wikipedia.org/wiki/Weather A condition which inheres in an environmental system by virtue of that system undergoing variation in its composition, the distribution of the qualities its components bear, and/or in the processes which occur within it and which it participates in. This class is very general, but the nature of environmental variability is indeed quite variable. This class may be refined once we have more subclasses to consider. environmental variability A process during which microscopic solid or liquid objects are formed. particle formation particulate matter formation process A process during which microscopic solid or liquid objects are formed. https://en.wikipedia.org/wiki/Particulates An aerosol formation process which occurs in an atmosphere. atmospheric aerosol formation envoAtmo atmospheric aerosol formation An aerosol formation process which occurs in an atmosphere. https://en.wikipedia.org/wiki/Particulates A process during which an aerosol, consisting of solid particulates suspended in a gas, is formed in an atmosphere. formation of solid particles in an atmosphere envoAtmo formation of a solid aerosol in an atmosphere A process during which an aerosol, consisting of solid particulates suspended in a gas, is formed in an atmosphere. https://en.wikipedia.org/wiki/Particulates A process during which an aerosol, consisting of droplets of liquid suspended in gas, is formed in an atmosphere. formation of liquid droplets in an atmosphere formation of liquid particles in an atmosphere envoAtmo formation of a liquid aerosol in an atmosphere A process during which an aerosol, consisting of droplets of liquid suspended in gas, is formed in an atmosphere. https://en.wikipedia.org/wiki/Particulates An aerosol which has non-gaseous parts that are primarily composed of liquid droplets. SWEETRealm:Aerosol liquid aerosol envoAtmo aerosolised liquids An aerosol which has non-gaseous parts that are primarily composed of liquid droplets. https://en.wikipedia.org/wiki/Aerosol An aerosol which has non-gaseous parts that are primarily composed of solid particles. SWEETRealm:Aerosol solid aerosol envoAtmo aerosolised solids An aerosol which has non-gaseous parts that are primarily composed of solid particles. https://en.wikipedia.org/wiki/Aerosol A process during which microscopic solid particulates are formed from gaseous materials in an atmosphere. atmospheric formation of a solid aerosol formation of a solid aerosol in an atmosphere formation of a solid aerosol in the atmosphere formation of solid particles from gaseous material in an atmosphere envoAtmo formation of a solid aerosol from gaseous material in an atmosphere A process during which microscopic solid particulates are formed from gaseous materials in an atmosphere. https://en.wikipedia.org/wiki/Particulates A process during which microscopic liquid droplets are formed from gaseous materials in an atmosphere. atmospheric formation of a liquid aerosol formation of a liquid aerosol in an atmosphere formation of a liquid aerosol in the atmosphere formation of liquid droplets from gaseous material in an atmosphere formation of liquid particles from gaseous material in an atmosphere envoAtmo formation of a liquid aerosol from gaseous material in an atmosphere A process during which microscopic liquid droplets are formed from gaseous materials in an atmosphere. https://en.wikipedia.org/wiki/Particulates A process during which pieces of a planetary crust and uppermost mantle move. tectonic movement A process during which pieces of a planetary crust and uppermost mantle move. https://en.wikipedia.org/wiki/Plate_tectonics https://en.wikipedia.org/wiki/List_of_tectonic_plates A part of a lithosphere which is separated by other such parts by geographic faults or similar geomorphological discontinuities. tectonic plate A part of a lithosphere which is separated by other such parts by geographic faults or similar geomorphological discontinuities. https://en.wikipedia.org/wiki/List_of_tectonic_plates 2 A geomorphological feature which is formed where two or more tectonic plates move towards, away from, or along one another, resulting in deformation of the lithosphere. tectonic plate boundary A geomorphological feature which is formed where two or more tectonic plates move towards, away from, or along one another, resulting in deformation of the lithosphere. https://en.wikipedia.org/wiki/Plate_tectonics An environmental system which includes both living and non-living components. LTER:173 This class will be primarily filled by inference, any environmental system which necessarily includes living parts should be autoclassified here. ecosystem An environmental system which includes both living and non-living components. https://en.wikipedia.org/wiki/Ecosystem LTER:173 https://vocab.lternet.edu/vocab/vocab/index.php?tema=173&/ecosystems A product which is composed primarily of animal manure that has been heat treated and packaged as a product for commercial or consumer use. animal manure product A product which is composed primarily of animal manure that has been heat treated and packaged as a product for commercial or consumer use. http://orcid.org/0000-0002-8844-9165 A planet which is primarily composed of hydrogen and helium. envoAstro Gas giants are composed of about 90% hydrogen and helium. Jupiter and Saturn are examples of gas giants. gas planet A planet which is primarily composed of hydrogen and helium. http://solarsystem.nasa.gov/planets/whatisaplanet https://en.wikipedia.org/wiki/List_of_planet_types https://en.wikipedia.org/wiki/Planet An ice is an environmental material which is either frozen or which is maintained in a solid state by gravitational forces or pressure. Note that ice may be formed at very high temperatures, due to gravitational effects and/or pressure. ice https://github.com/EnvironmentOntology/envo/issues/900 A terrestrial planet which has a surface dominated by hot deserts. dry planet envoAstro This class of planet is still mostly theoretical. desert planet A planet which has a surface layer that nearly completely or completely covered by water, and which has a substantial portion of its mass composed of water. An axiom to express that the planet has a 'substantial' proportion of its mass in the form of water wound enhance this class. aquaplanet panthalassic planet water world envoAstro While this planetary form is still mostly theoretical, strong candidates exist such as the extrasolar planet GJ 1214 b and ocean planet candidate Kepler-22b. ocean planet A planet which has a surface layer that nearly completely or completely covered by water, and which has a substantial portion of its mass composed of water. https://en.wikipedia.org/wiki/Ocean_planet A planet which has a surface layer that nearly completely or completely covered by ice, and which has a substantial portion of its mass composed of ice. cryoplanet envoAstro While this planetary form is still mostly theoretical, strong candidates exist such as OGLE-2005-BLG-390Lb, OGLE-2013-BLG-0341L b and MOA-2007-BLG-192Lb. Pluto was considered an ice planet until its reclassification in 2006 CE. Surface temperatures of ice planets would have to be below 260 K (−13°C) if composed primarily of water, below 180 K (−93°C) if primarily composed of CO2 and ammonia, and below 80 K (−193°C) if composed primarily of methane. ice planet A planet which has a surface layer that nearly completely or completely covered by ice, and which has a substantial portion of its mass composed of ice. https://en.wikipedia.org/wiki/Ice_planet While this planetary form is still mostly theoretical, strong candidates exist such as OGLE-2005-BLG-390Lb, OGLE-2013-BLG-0341L b and MOA-2007-BLG-192Lb. Pluto was considered an ice planet until its reclassification in 2006 CE. Surface temperatures of ice planets would have to be below 260 K (−13°C) if composed primarily of water, below 180 K (−93°C) if primarily composed of CO2 and ammonia, and below 80 K (−193°C) if composed primarily of methane. https://en.wikipedia.org/wiki/Ice_planet Ice which is primarily composed of carbon dioxide. dry ice envoAstro carbon dioxide ice Ice which is primarily composed of carbon dioxide. https://en.wikipedia.org/wiki/Ice Ice which is primarily composed of ammonia. envoAstro ammonia ice Ice which is primarily composed of ammonia. https://en.wikipedia.org/wiki/Ice Ice which is primarily composed of carbon monoxide. envoAstro carbon monoxide ice Ice which is primarily composed of carbon monoxide. https://en.wikipedia.org/wiki/Ice A gas planet which has an atmosphere composed primarily of helium. The placement of this class assumes that some traces of hydrogen are left in the atmosphere. If this is not the case, the axiom on gas planet must be updated. envoAstro A helium planet might form via hydrogen evaporation from a gaseous planet orbiting close to a star. Low-mass white dwarfs may transition into objects which are essentially helium planets by hydrogen depletion through mass transfer to a massive object such as a neutron star. Gliese 436 b is a candidate helium planet. helium planet A gas planet which has an atmosphere composed primarily of helium. https://en.wikipedia.org/wiki/Helium_planet A helium planet might form via hydrogen evaporation from a gaseous planet orbiting close to a star. Low-mass white dwarfs may transition into objects which are essentially helium planets by hydrogen depletion through mass transfer to a massive object such as a neutron star. Gliese 436 b is a candidate helium planet. https://en.wikipedia.org/wiki/Helium_planet An astronomical object which is composed of dense gas and dust rotating around a young newly formed star, a T Tauri star, or a Herbig Ae/Be star in a disk-shaped configuration. envoAstro protoplanetary disk An astronomical object which is composed of dense gas and dust rotating around a young newly formed star, a T Tauri star, or a Herbig Ae/Be star in a disk-shaped configuration. https://en.wikipedia.org/wiki/Protoplanetary_disk A material which is composed primarily of chemical elements and compounds with relatively low boiling points, equilibrium condensation temperatures below 1300 Kelvin, and which are part of the crust or atmosphere of a moon or planet. Add and axiomatise with moon and lunar crust volatile envoAstro Examples include nitrogen, water, carbon dioxide, ammonia, hydrogen, methane and sulfur dioxide. In astrogeology, these compounds, in their solid state, often comprise large proportions of the crusts of moons and dwarf planets. volatile astrogeological material A material which is composed primarily of chemical elements and compounds with relatively low boiling points, equilibrium condensation temperatures below 1300 Kelvin, and which are part of the crust or atmosphere of a moon or planet. https://en.wikipedia.org/wiki/Volatiles Examples include nitrogen, water, carbon dioxide, ammonia, hydrogen, methane and sulfur dioxide. In astrogeology, these compounds, in their solid state, often comprise large proportions of the crusts of moons and dwarf planets. https://en.wikipedia.org/wiki/Volatiles An astrogeological volatile which is composed primarily of chemical compounds with boiling points around those of hydrogen and helium. gas envoAstro This is a term native to the fields of planetary science and astrophysics. Hydrogen has a boiling point of 20.271 Kelvin and a melting point of 13.99 Kelvin. Helium has a boiling point of 4.222 Kelvin and a melting point of 0.95 Kelvin. astrogeological gas An astrogeological volatile which is composed primarily of chemical compounds with boiling points around those of hydrogen and helium. https://en.wikipedia.org/wiki/Volatiles A quality which inheres in a astronomical body or astronomical body part by virtue of the variation in its material composition, participation in geological processes, and the variation in is land- and hydroforms. Materials which are usually assessed when appraising geodiversity include minerals, rocks, sediments, fossils, soils and water. Landforms factored into geodiversity metrics typically include folds, faults, and other expressions of morphology or relations between units of earth material. Natural processes that are included in measures of geodiversity are those which either maintain or change materials or geoforms, including tectonics, sediment transport, and pedogenesis. Geodiversity does not usually factor in anthropogenic entities. geodiversity A quality which inheres in a astronomical body or astronomical body part by virtue of the variation in its material composition, participation in geological processes, and the variation in is land- and hydroforms. https://en.wikipedia.org/wiki/Geodiversity Materials which are usually assessed when appraising geodiversity include minerals, rocks, sediments, fossils, soils and water. Landforms factored into geodiversity metrics typically include folds, faults, and other expressions of morphology or relations between units of earth material. Natural processes that are included in measures of geodiversity are those which either maintain or change materials or geoforms, including tectonics, sediment transport, and pedogenesis. Geodiversity does not usually factor in anthropogenic entities. An ecosystem which has been causally isolated from a larger ecosystem within which it was previously embedded, such that the direct exchange of materials, resources, and energy between these systems is severely or entirely curtailed. Often, ecosystem fragments are unable to sustain themselves without human intervention and management as they are not large enough to perform self-sustaining functions (e.g. nutrient recycling) or hold sufficient ecological resources such as genetic diversity of populations. ecosystem fragment A process during which one or more parts of an ecosystem become causally isolated such that the direct flow or exchange of materials, resources, and energy between a given fragment and the remainder of the original system is severely curtailed or entirely halted. ecosystem fragmentation process A process during which one or more parts of an ecosystem become causally isolated such that the direct flow or exchange of materials, resources, and energy between a given fragment and the remainder of the original system is severely curtailed or entirely halted. https://en.wikipedia.org/wiki/Ecosystem_decay https://en.wikipedia.org/wiki/Habitat_fragmentation https://en.wikipedia.org/wiki/Population_fragmentation A process during which an ecosystem, its parts, or the processes it participates in are modified by human intervention to accomplish an objective. ecosystem management Umweltmaßnahme environmental management active ecosystem management process A process during which an ecosystem, its parts, or the processes it participates in are modified by human intervention to accomplish an objective. https://www.iucn.org/theme/protected-areas/about/protected-areas-categories/category-iv-habitatspecies-management-area Umweltmaßnahme https://orcid.org/0000-0002-9620-2832 www.awi.de/internas A process during which an ecosystem fragment loses its system integrity, with many of its resident ecological populations 1) losing their habitats, 2) undergoing a loss of functional and phylogenetic diversity, and 3) undergoing a subsequent genetic destabilisation through inbreeding. This process may be caused by direct anthropisation (i.e. the fragmentation of ecosystems due to the establishment of cropland) or by more natural events such as forest fires or erosion of land bridges. ecosystem decay A process during which an ecosystem fragment loses its system integrity, with many of its resident ecological populations 1) losing their habitats, 2) undergoing a loss of functional and phylogenetic diversity, and 3) undergoing a subsequent genetic destabilisation through inbreeding. https://en.wikipedia.org/wiki/Ecosystem_decay An environment which has its properties and composition largely determined by the presence of a metazoan which lacks a vetebral column and which has a habitat that is found in an aquatic environmental system. http://purl.jp/bio/11/meo/MEO_0000871 envoMeo envoOmics environment associated with an aquatic invertebrate http://purl.jp/bio/11/meo/MEO_0000871 Not currently live, may need to be switched to alternative PURLs. Soil which has increased levels of molecules or ions capable of donating a hydron (proton or hydrogen ion) to other chemical entities, or, alternatively, capable of forming covalent bonds with other chemicals via the acceptance of an electron pair, resulting in a bulk pH measurement of less than 7. acidic soil Soil which has increased levels of molecules or ions capable of donating a hydron (proton or hydrogen ion) to other chemical entities, or, alternatively, capable of forming covalent bonds with other chemicals via the acceptance of an electron pair, resulting in a bulk pH measurement of less than 7. https://en.wikipedia.org/wiki/Acid Volcanic ash which has increased levels of molecules or ions capable of donating a hydron (proton or hydrogen ion) to other chemical entities, or, alternatively, capable of forming covalent bonds with other chemicals via the acceptance of an electron pair, resulting in a bulk pH measurement of less than 7. acidic volcanic ash The surface layer of a volume of water. EcoLexicon:surface_water SWEETRealm:SurfaceWater https://en.wikipedia.org/wiki/Surface_water surface of a body of water water body surface water surface The surface layer of a mass of sediment. surface of a sedimentary mass surface sediment sediment surface An environmental disposition which inheres in an entity that intercepts, attenuates, or blocks radiation. radiation shielding disposition An environmental zone which is bounded by material parts of a land mass or the atmosphere or space adjacent to it. terrestrial environmental zone A terrestrial zone which is bounded by constructed, manufactured, or other anthropogenic material entities. anthropised terrestrial environmental zone An environmental zone which is bounded by material parts of a marine environment. This class will eventually be populated by inference alone, with its subclasses distributed in more process-linked hierarchies to improve semantic density. marine environmental zone A process during which sediments compact under pressure, expel connate fluids, and gradually become solid sedimentary rock. lithification A process during which sediments compact under pressure, expel connate fluids, and gradually become solid sedimentary rock. https://en.wikipedia.org/wiki/Lithification An ecosystem in which grasses (Graminae) are the dominant form of vegetation and determine the system's structure and dynamics. EcoLexicon:grassland FTT:259 FTT:760 FTT:766 Geonames:V.GRSLD LTER:232 TGN:21604 TGN:54052 GRASSLAND grassland Grassland down downland downs glade grazing area herbaceous area grassland ecosystem An ecosystem in which grasses (Graminae) are the dominant form of vegetation and determine the system's structure and dynamics. https://en.wikipedia.org/wiki/Grassland GRASSLAND USGS:SDTS grassland Geonames:feature Grassland NASA:earthrealm down USGS:SDTS downland USGS:SDTS downs USGS:SDTS glade ADL:FTT glade USGS:SDTS grazing area ADL:FTT grazing area Getty:TGN herbaceous area USGS:SDTS A planned process during which an environmental system is modified to mitigate or nullify the impacts of flooding. defense against flooding defence against floods defense against floods flood defence flood defence intervention flood defense flood defense intervention defence against flooding An electromagnetic radiation process during which electromagnetic waves or their quanta are emitted from a star. NCIT:C44445 solar radiation environmental_hazards envoAstro stellar radiation An electromagnetic radiation process during which electromagnetic waves or their quanta are emitted from a star. https://en.wikipedia.org/wiki/Electromagnetic_radiation https://en.wikipedia.org/wiki/Solar_irradiance solar radiation NCIT:C44445 A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths and frequencies which travel exclusively in a line-of-sight fashion and which may produce molecular rotation and torsion on contact with matter. microwave solar radiation ENVO envoAstro This definition focuses on the properties of microwaves rather than their wavelength or frequency limits. Considerable ambiguity exists around the wavelength and frequency thresholds of microwaves. The ISO 21348 definition bounds these waves at 1 mm and 15 mm, with frequencies between 100 GHz and 0.225 GHz. microwave stellar radiation A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths and frequencies which travel exclusively in a line-of-sight fashion and which may produce molecular rotation and torsion on contact with matter. https://en.wikipedia.org/wiki/Microwave A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths ranging from millimetre to kilometer scales. radio wave solar radiation ENVO envoAstro As with microwaves, considerable variation exists in the delimitation of frequency and wavelength thresholds for radiowaves. The ISO 21348 standard allows a wavelength range of 0.10 mm to 100 m and a frequency range of 300 GHz to 3 MHz. However, much lower thresholds also exist. radio wave stellar radiation A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths ranging from millimetre to kilometer scales. https://en.wikipedia.org/wiki/Radio_wave A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star when molecules change their rotational-vibrational movements, usually at wavelengths between 760 nm and 1 mm. infrared radiation infra-red stellar radiation infrared solar radiation IR stellar radiation envoAstro infrared stellar radiation A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star when molecules change their rotational-vibrational movements, usually at wavelengths between 760 nm and 1 mm. https://en.wikipedia.org/wiki/Infrared A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths between 380 nm and 760 nm. optical stellar radiation visible spectrum solar radiation ENVO envoAstro visible spectrum stellar radiation A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths between 380 nm and 760 nm. A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths between 10 nm and 400 nm. To be expanded to account for subtypes. NCIT:C17231 ultraviolet solar radiation ENVO environmental_hazards envoAstro ultraviolet stellar radiation A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths between 10 nm and 400 nm. https://en.wikipedia.org/wiki/Ultraviolet A stellar radiation process during which penetrating electromagnetic radiation is emitted by high-energy electrons as they fall into a lower state of energy. x ray stellar radiation X-ray solar radiation ENVO environmental_hazards envoAstro Ambiguity exists in the definition of x-rays and their differentiation from gamma rays. Photons with sufficient energy to be classified as x-rays may be emitted by other processes than electrons falling to lower energy states. Most x-rays have wavelengths ranging from 0.01 to 10 nanometers, corresponding to frequencies in the range of 30 petahertz to 30 exahertz and energies in the range of 100 eV to 100 keV. X-ray stellar radiation A stellar radiation process during which penetrating electromagnetic radiation is emitted by high-energy electrons as they fall into a lower state of energy. https://en.wikipedia.org/wiki/X-ray Ambiguity exists in the definition of x-rays and their differentiation from gamma rays. Photons with sufficient energy to be classified as x-rays may be emitted by other processes than electrons falling to lower energy states. Most x-rays have wavelengths ranging from 0.01 to 10 nanometers, corresponding to frequencies in the range of 30 petahertz to 30 exahertz and energies in the range of 100 eV to 100 keV. https://en.wikipedia.org/wiki/X-ray#Energy_ranges A stellar radiation process during which penetrating electromagnetic radiation is emitted from the radioactive decay (gamma decay) of atomic nuclei. gamma-ray solar radiation environmental_hazards envoAstro Ambiguity exists in the definition of gamma rays. As a rule of thumb, gamma rays have energies above 100 keV, frequencies above 10 exahertz, and wavelengths less than 10 picometers. However, regardless of the energy released, electromagnetic radiation from radioactive decay of atomic nuclei is referred to as "gamma rays". In astronomy, however, gamma rays are defined by their energy, and no production process needs to be specified. gamma-ray stellar radiation A stellar radiation process during which penetrating electromagnetic radiation is emitted from the radioactive decay (gamma decay) of atomic nuclei. https://en.wikipedia.org/wiki/Gamma_ray Ambiguity exists in the definition of gamma rays. As a rule of thumb, gamma rays have energies above 100 keV, frequencies above 10 exahertz, and wavelengths less than 10 picometers. However, regardless of the energy released, electromagnetic radiation from radioactive decay of atomic nuclei is referred to as "gamma rays". In astronomy, however, gamma rays are defined by their energy, and no production process needs to be specified. https://en.wikipedia.org/wiki/Gamma_ray A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star with sufficient energy to disrupt molecular bonds or alter the electron number of atoms. ionising stellar radiation ionising solar radiation ENVO envoAstro ionizing stellar radiation A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star with sufficient energy to disrupt molecular bonds or alter the electron number of atoms. https://en.wikipedia.org/wiki/Electromagnetic_radiation https://en.wikipedia.org/wiki/Solar_irradiance A building which is primarily used to facilitate the buying or selling of goods or services. "Commerce includes legal, economic, political, social, cultural and technological systems that are in operation in any country or internationally." commercial building A building which is primarily used to facilitate the buying or selling of goods or services. https://en.wikipedia.org/wiki/Commercial_building "Commerce includes legal, economic, political, social, cultural and technological systems that are in operation in any country or internationally." https://en.wikipedia.org/wiki/Commerce A process during which wood is processed into beams or planks. lumber production timber production timber production process lumber production process A process during which wood is processed into beams or planks. https://en.wikipedia.org/wiki/Lumber A building part within which administrative work is done by an organisations users in order to support and realise the objectives of that organization. office A building part within which administrative work is done by an organisations users in order to support and realise the objectives of that organization. https://en.wikipedia.org/wiki/Office#Office_buildings A natural environment which is located on a land mass. terrestrial natural environment A natural environment which is within a water body. aquatic natural environment EcoLexicon:canopy LTER:82 SWEETRealm:Canopy https://en.wikipedia.org/wiki/Canopy forest canopy A vegetation layer which is formed by a collection of individual plant crowns, themselves constituting part of the aboveground portion of a plant community. EcoLexicon:canopy LTER:82 SWEETRealm:Canopy false canopy A vegetation layer which is formed by a collection of individual plant crowns, themselves constituting part of the aboveground portion of a plant community. https://en.wikipedia.org/wiki/Canopy_%28biology%29 An ecosystem which is determined by communities of plants with a tree growth form and in which members of those communities form continuous or discontinuous regions of canopy cover. The correct usage of FLOPO terms in the axiomatisation needs to be confirmed. The definitions of forest can vary greatly, and different classes will be needed to support the major categories. Tree cover alone is not enough to distinguish between forests and plantations. The international definition proposed by the 2010 FAO Forestry Resource Assessment: "land spanning more than 0.5 ha with trees higher than 5 metres and canopy cover of more than 10 percent, or trees able to reach these thresholds in situ . It does not include land that is predominantly under agricultural or urban land use." - FAO. 2010. Global forest resources assessment 2010, Main report, FAO Forestry Paper 163. Rome. forest ecosystem An ecosystem which is determined by communities of plants with a tree growth form and in which members of those communities form continuous or discontinuous regions of canopy cover. http://www.fao.org/docrep/017/ap862e/ap862e00.pdf https://www1.usgs.gov/csas/nvcs/nvcsGetUnitDetails?elementGlobalId=860217 An ecosystem which 1) is determined by communities of annual crops, perennial woody crops, or by actively tilled land, 2) is primarily used for agricultural activity, and 3) contains no village or larger human settlement. cropland ecosystem An ecosystem which 1) is determined by communities of annual crops, perennial woody crops, or by actively tilled land, 2) is primarily used for agricultural activity, and 3) contains no village or larger human settlement. A process during which humans rear animals or plants on land for harvest and consumption. Expand the sites of occurrence listed as axioms as new terms emerge. agriculture agricultural process A process during which humans rear animals or plants on land for harvest and consumption. http://www.fao.org/docrep/003/x6941e/x6941e04.htm#bm04 A surface layer through which liquids or gases cannot pass. impermeable surface layer A surface layer through which liquids or gases cannot pass. https://en.wikipedia.org/wiki/Impervious_surface A construction which comprises a durable surface layer overlying a solid surface intended to sustain vehicular or foot traffic. constructed pavement A construction which comprises a durable surface layer overlying a solid surface intended to sustain vehicular or foot traffic. https://en.wikipedia.org/wiki/Road_surface A layer which is primarily composed of some liquid material. liquid layer A layer which is primarily composed of some solid material, allowing for non-solid parts such as interstitial pockets of gas or liquid. solid layer A solid layer which is primarily composed of some water-based ice. water ice layer A constructed pavement which is built on the side of a road and intended for foot traffic. pavement footpath footway "In some places, the same term may also be used for a paved path, trail or footpath that is not next to a road, for example, a path through a park." sidewalk A constructed pavement which is built on the side of a road and intended for foot traffic. https://en.wikipedia.org/wiki/Sidewalk "In some places, the same term may also be used for a paved path, trail or footpath that is not next to a road, for example, a path through a park." https://en.wikipedia.org/wiki/Sidewalk Dust which is composed primarily of slicon dioxide. silica dust Dust which is primarily composed of aluminium particles. aluminium dust Dust which is primarily composed of barium particles. barium dust Dust which is primarily composed of hydrated magnesium silicate (talc) particles. talc dust Dust which is primarily composed of slate particles. slate dust A fire which occurs in an industrial area or building. environmental_hazards industrial fire Dust which is primarily composed of kaolinite particles. kaolinite dust kaolin dust A vegetated area which has not been cleared or is sparsely settled, usually scrub-covered or forested the bush "Bush" is a rather loosely defined regional term, primarily used in Australia. bush area A vegetated area which has not been cleared or is sparsely settled, usually scrub-covered or forested https://www.merriam-webster.com/dictionary/bush#h1 An atmospheric storm which is generated by the heating and convection of moist and unstable air masses. envoAtmo "Convective storms range from localised thunderstorms (with heavy rain and/or hail, lightning, high winds, tornadoes) to meso-scale, multi-day events." convective storm An atmospheric storm which is generated by the heating and convection of moist and unstable air masses. http://glossary.ametsoc.org/wiki/Convective_storm http://www.emdat.be/Glossary "Convective storms range from localised thunderstorms (with heavy rain and/or hail, lightning, high winds, tornadoes) to meso-scale, multi-day events." http://www.emdat.be/Glossary A an atmospheric storm which originates over tropical or subtropical waters and possesses a warm-core, non-frontal synoptic-scale cyclone with a low pressure centre, spiral rain bands and strong winds. environmental_hazards envoAtmo tropical storm A an atmospheric storm which originates over tropical or subtropical waters and possesses a warm-core, non-frontal synoptic-scale cyclone with a low pressure centre, spiral rain bands and strong winds. http://www.emdat.be/Glossary An atmospheric storm during which a large mass of atmospheric gas rotates around a centre of low atmospheric pressure, generating high winds which spiral towards that centre. environmental_hazards envoAtmo cyclone An atmospheric storm during which a large mass of atmospheric gas rotates around a centre of low atmospheric pressure, generating high winds which spiral towards that centre. https://en.wikipedia.org/wiki/Cyclone An environmental zone which is part of an atmosphere. atmospheric area atmospheric zone An atmospheric zone in which atmospheric gaseous masses have reduced atmospheric pressure. Air is not specified directly (although the definition subsumes air masses) to allow for other forms of low pressure areas in planetary atmospheres. area of low atmospheric pressure A vegetated area is a geographic feature which has ground cover dominated by plant communities. ORCID:0000-0002-4366-3088 envoPolar vegetated area A liquid astronomical body part which is primarily composed of a continuous volume of liquid water and is held in shape or sustained by an environmental process. Should create links to envrionmental process with new relation like "sustained_by" Similar, in spirit, to landform. hydroform Should create links to envrionmental process with new relation like "sustained_by" ORCID:0000-0002-4366-3088 A liquid surface layer which is in contact with air. liquid air-water interface layer A surface layer which is composed primarily of some liquid. liquid surface layer A surface layer which is composed primarily of solid environmental material. solid surface layer A body of water which is primarily composed of saline water. saline body of water This class has its subclasses populated by inference. saline water body A body of water which is primarily composed of freshwater, with low solute content. LTER:216 fresh body of water freshwater body This class has its subclasses primarily populated by inference. The threshold for what constitutes "fresh" water is variable and should typically be deferred to an applicatoin layer resource. fresh water body LTER:216 https://vocab.lternet.edu/vocab/vocab/index.php?tema=216&/freshwater A material transport process during which a volume of material is displaced due to a disequilibrium in physical forces and during which 1) the qualities that inhere in that volume and 2) the processes that are unfolding within it are largely unchanged. advective transport Advective processes are disjoint from diffusive processes. Typically, fluids are advected. advective transport process A material transport process during which a volume of material is displaced due to a disequilibrium in physical forces and during which 1) the qualities that inhere in that volume and 2) the processes that are unfolding within it are largely unchanged. https://en.wikipedia.org/wiki/Advection https://en.wikipedia.org/wiki/Intensive_and_extensive_properties An action of exogenic processes (such as water flow or wind) which remove environmental material from one location on the surface of an astronomical body, transporting it to another location where it is deposited. erosion An action of exogenic processes (such as water flow or wind) which remove environmental material from one location on the surface of an astronomical body, transporting it to another location where it is deposited. https://en.wikipedia.org/wiki/Erosion A landform which has been rendered barren or partially barren by environmental extremes, especially by low rainfall. desert An aerosol formation event which occurs in an atmosphere. rapid formation of liquid or solid particles from gaseous material in an atmosphere envoAtmo Note that the detection of such events, and thus the thresholds used to define them in the field, are operational and dependent on the technology and observation strategy used. The event must be intense enough, occur in a large enough area, and persist for enough time to allow the formed particle population to be observed. There are no exact or universally agreed upon thresholds for the intensity, area and duration of such events. If elevated new particle formation rate is observed in the atmosphere (away from direct sources of the related gas-phase molecules) for an operationally defined period of time, practitioners often declare that such an event has taken place. atmospheric aerosolised particle formation event An aerosol formation event which occurs in an atmosphere. https://github.com/EnvironmentOntology/envo/issues/602 Note that the detection of such events, and thus the thresholds used to define them in the field, are operational and dependent on the technology and observation strategy used. The event must be intense enough, occur in a large enough area, and persist for enough time to allow the formed particle population to be observed. There are no exact or universally agreed upon thresholds for the intensity, area and duration of such events. If elevated new particle formation rate is observed in the atmosphere (away from direct sources of the related gas-phase molecules) for an operationally defined period of time, practitioners often declare that such an event has taken place. https://github.com/EnvironmentOntology/envo/issues/602 A system which consists of an atmosphere, hydrosphere, cryosphere, land surface, and biosphere, forced or influenced by external processes. This class, from the IPCC report, is naturally focused on the Earth's climate. The report cites the Sun as the agent of the most important forcing processes. It also considers the direct effect of human activities on the climate system an external forcing climate system A system which consists of an atmosphere, hydrosphere, cryosphere, land surface, and biosphere, forced or influenced by external processes. https://github.com/EnvironmentOntology/envo/issues/604 https://www.ipcc.ch/ipccreports/tar/wg1/040.htm This class, from the IPCC report, is naturally focused on the Earth's climate. The report cites the Sun as the agent of the most important forcing processes. It also considers the direct effect of human activities on the climate system an external forcing https://www.ipcc.ch/ipccreports/tar/wg1/040.htm A process during which particles suspended in a gaseous medium are formed. new particle formation process envoAtmo aerosolised particle formation process A process during which particles suspended in a gaseous medium are formed. https://en.wikipedia.org/wiki/Aerosol https://en.wikipedia.org/wiki/Particulates A material transport process during which solid or liquid particles are directly introduced into a volume of gas. primary aerosol formation primary aerosol formation process A material transport process during which solid or liquid particles are directly introduced into a volume of gas. https://en.wikipedia.org/wiki/Aerosol https://en.wikipedia.org/wiki/Particulates An aerosol formation process during which the rate of particle formation exceeds that which is normally present in the site of its occurrence. envoAtmo This is similar to the semantics of storms, where increased rates are observed due to external forcings. aerosolised particle formation event An aerosol formation process during which the rate of particle formation exceeds that which is normally present in the site of its occurrence. https://github.com/EnvironmentOntology/envo/issues/602 A primary aerosol formation process during which dust particles are suspended in a gaseous medium. aerosolisation of dust A process during which dust is aerosolised in an atmosphere. dust event atmospheric aerosolisation of dust An aersolised mass of dust, smoke, or other dry particulates which scatters visible light thus obsscuring visibility through an atmosphere. envoAtmo haze An aersolised mass of dust, smoke, or other dry particulates which scatters visible light thus obsscuring visibility through an atmosphere. https://en.wikipedia.org/wiki/Haze An anthropogenic environment which is bounded by the building envelope of a laboratory and in which a system of manufactured products exert control on one or more of its environmental conditions. laboratory environment A research facility in which systems of manufactured products control internal conditions and in which scientific or technological research, experiments, and measurement may be performed. research laboratory laboratory facility A research facility in which systems of manufactured products control internal conditions and in which scientific or technological research, experiments, and measurement may be performed. https://en.wikipedia.org/wiki/Laboratory A cloud which 1) has been shaped into rising mounds, domes, or towers with a bulging upper part resembling a cauliflower and a near horizontal or ragged base, 2) is mainly composed of water droplets, 3) is located in the low level of the atmosphere (low étage). Add more PATO qualities once they have been added to PATO. Note that the domed quality refers to the cauliflower shape (which is itself a variant of domed). This should be replaced with cauliflower shaped once in ENVO. Cu Cumuluswolke Haufenwolke Kumuluswolke Quellwolke envoAtmo envoCloudAtlas When well-illuminated by sunlight (excluding during sunrise and sunset) cumulus has has brilliant white sunlit parts and a dark grey base. Cumulus clouds have sharp outlines. When of great vertical extent, cumulus may release precipitation in the form of showers of rain, snow or snow pellets. Cumulus clouds usually have their bases in the low atmospheric level (low étage), but their vertical extent is often so great that their tops may reach into the middle and high atmospheric levels (middle and high étage). cumulus cloud A cloud which 1) has been shaped into rising mounds, domes, or towers with a bulging upper part resembling a cauliflower and a near horizontal or ragged base, 2) is mainly composed of water droplets, 3) is located in the low level of the atmosphere (low étage). A cloud which is formed by condensation events triggered by some anthropogenic processes or the outputs thereof, such as aircraft contrails or emissions from chimneys. envoAtmo homogenitus cloud A cloud which is formed by condensation events triggered by some anthropogenic processes or the outputs thereof, such as aircraft contrails or emissions from chimneys. https://cloudatlas.wmo.int/clouds-genera.html https://cloudatlas.wmo.int/docs/Excerpt%20from%20wmo_49-1_final_2017.pdf https://cloudatlas.wmo.int/homogenitus.html https://en.wikipedia.org/wiki/Cloud A cloud which 1) has been shaped into dense, mountain-like forms or one or more tower-like forms with a flattened upper portion, which often spreads out in the shape of an anvil or plume, 2) is composed of water droplets and, especially in its upper portion, ice crystals, 3) is located in the low level of the atmosphere (low étage), but can extend into the middle and high level of the atmosphere. Add more PATO qualities once they have been added to PATO. Cb Cumulonibus-Wolke Gewitterwolke envoAtmo envoCloudAtlas Cumulonimbus clouds have a very dark base which may be merged with low ragged clouds which frequently form underneath this cloud. The upper portion may be smooth, fibrous, or striated. Cumulonimbus also contains large raindrops and, often, snowflakes, snow pellets or hailstones. The water droplets and raindrops may be substantially supercooled. Cumulonimbus is frequently associated with precipitation, sometimes in the form of virga. Cumulonimbus is often accompanied by lightning, thunder or hail. Cumulonimbus usually have their bases in the low level, but their vertical extent is often so great that their tops may reach into the middle and high levels. cumulonimbus cloud A cloud which 1) has been shaped into dense, mountain-like forms or one or more tower-like forms with a flattened upper portion, which often spreads out in the shape of an anvil or plume, 2) is composed of water droplets and, especially in its upper portion, ice crystals, 3) is located in the low level of the atmosphere (low étage), but can extend into the middle and high level of the atmosphere. A cloud which is primarily composed of water-based aerosols. cloud mass envoAtmo On Earth clouds are formed by the saturation of air in the homosphere when air cools or gains water vapor. Note that this class describes clouds as countable objects, rather than 'cloud material'. It also refers only to clouds made up of a water-based material. water-based cloud A cloud which is primarily composed of water-based aerosols. https://cloudatlas.wmo.int/introduction-and-principles-of-cloud-classification.html https://en.wikipedia.org/wiki/Cloud An anthropisation process during which terrestrial environments - natural or anthropised - or parts thereof are altered to facilitate human activities such as agriculture, settlement, or commerce. land conversion land development Further examples include subdividing real estate into lots, typically for the purpose of building homes and converting unused factories into condominia. land conversion process An anthropisation process during which terrestrial environments - natural or anthropised - or parts thereof are altered to facilitate human activities such as agriculture, settlement, or commerce. https://en.wikipedia.org/wiki/Land_development Further examples include subdividing real estate into lots, typically for the purpose of building homes and converting unused factories into condominia. https://en.wikipedia.org/wiki/Land_development A land conversion process during which terrestrial ecosystems are altered to facilitate agricultural activities such as crop cultivation or the rearing of livestock. agricultural land conversion This process typically relies on the conversion and development of forests, savannas or grassland. Creation of farmland from wasteland, deserts or previous impervious surfaces is considerably less frequent because of the presence of degraded soil or the lack of fertile soil. agricultural land conversion process A land conversion process during which terrestrial ecosystems are altered to facilitate agricultural activities such as crop cultivation or the rearing of livestock. https://en.wikipedia.org/wiki/Land_development This process typically relies on the conversion and development of forests, savannas or grassland. Creation of farmland from wasteland, deserts or previous impervious surfaces is considerably less frequent because of the presence of degraded soil or the lack of fertile soil. https://en.wikipedia.org/wiki/Land_development An anthropogenic environmental process which includes all human activities undertaken in a natural, semi-natural, or anthropised environment. There are multiple systems of land use classification. This hierarchy aims to be generally applicable, but national systems can be added on request. land use process An anthropogenic environmental process which includes all human activities undertaken in a natural, semi-natural, or anthropised environment. https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf https://en.wikipedia.org/wiki/Land_use A land use process during which materials of economic value are extracted from a planet, usually from an orebody, lode, vein, seam, reef or placer deposit. mining terrestrial mining A land use process during which materials of economic value are extracted from a planet, usually from an orebody, lode, vein, seam, reef or placer deposit. https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf https://en.wikipedia.org/wiki/Land_use https://en.wikipedia.org/wiki/Mining https://www.eionet.europa.eu/gemet/en/concept/14837 A process during which an ecosystem - natural or anthropised - is changed by the actions of humans. anthropogenic ecosystem conversion process A planned process during which humans access and obtain resources, benefits, or services from a natural or anthropised ecosystem. planned environmental usage process A planned environmental usage process during which a non-renewable resource such as petroleum, natural gas, or water is extracted from an ecosystem. mining A planned environmental usage process during which a non-renewable resource such as petroleum, natural gas, or water is extracted from an ecosystem. https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf https://en.wikipedia.org/wiki/Land_use https://en.wikipedia.org/wiki/Mining https://www.eionet.europa.eu/gemet/en/concept/14837 A mining process which occurs in a marine ecosystem. marine mining A planned environmental usage process during which an environment facilitates the movement of materials and material objects (persons or goods) from place to place, typically with the assistance of a vehicle. transportation usage of an environment for transportation A planned environmental usage process during which an environment facilitates the movement of materials and material objects (persons or goods) from place to place, typically with the assistance of a vehicle. https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf https://en.wikipedia.org/wiki/Land_use https://www.eionet.europa.eu/gemet/en/concept/8641 A planned environmental usage process during which an environment supports manufacturing facilities producing commodities that are sold with the expectation of recovering the total cost of production. This class includes environments used to support the facilities engaged with a broad variety of manufacturing activities from food and tobacco, to textiles, metals, vehicles, and chemicals. usage of an environment for industry A planned environmental usage process during which an environment supports manufacturing facilities producing commodities that are sold with the expectation of recovering the total cost of production. https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf https://en.wikipedia.org/wiki/Land_use https://www.eionet.europa.eu/gemet/en/concept/4279 A planned environmental usage process during which an environment supports facilities associated with commerce or the earning of a livelihood through means other than manufacturing or the provision of a public service. This class includes activities carried out in commercial offices, meeting centres, art studios, recording studios, film sets, warehouses, and distribution centres. usage of an environment for business A planned environmental usage process during which an environment supports facilities associated with commerce or the earning of a livelihood through means other than manufacturing or the provision of a public service. https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf https://en.wikipedia.org/wiki/Land_use https://www.eionet.europa.eu/gemet/en/concept/1084 A liquid astronomical body part which is continuous and is delimited by physical discontinuities or non-liquid boundaries. body of liquid A part of an astronomical body which is primarily composed of a continuous volume of liquid material, shaped by one or more environmental processes. liquid astronomical body part A part of an astronomical body which is primarily composed of a continuous volume of liquid material, shaped by one or more environmental processes. https://en.wikipedia.org/wiki/Landform A part of an astronomical body which is primarily composed of a continuous volume of gaseous material, shaped by one or more environmental processes. gaseous astronomical body part A part of an astronomical body which is primarily composed of a continuous volume of gaseous material, shaped by one or more environmental processes. https://en.wikipedia.org/wiki/Landform A part of an astronomical body which is primarily composed of a continuous volume of liquid or gaseous material, shaped by one or more environmental processes. 2018-10-04T13:59:22Z fluid astronomical body part A part of an astronomical body which is primarily composed of a continuous volume of liquid or gaseous material, shaped by one or more environmental processes. https://en.wikipedia.org/wiki/Landform A tornado is an aeroform consisting of at least one rapidly rotating column of air that is in contact with both the surface of an astronomical body and pendant from within or beneath a cumulonimbus or cumulus cloud. 2018-10-04T16:52:06Z twister cyclone whirlwind This class refers to tornados on Earth, but can be used as the basis for a more generalised class for tornados which a composed of gaseous materials other than air. tornado A tornado is an aeroform consisting of at least one rapidly rotating column of air that is in contact with both the surface of an astronomical body and pendant from within or beneath a cumulonimbus or cumulus cloud. https://en.wikipedia.org/wiki/Tornado A surface layer where the solid or liquid material of an astronomical body comes into contact with an atmosphere or outer space. 2018-10-04T16:55:57Z land surface a useful class: this can be used to define sub-terrestrial and sub-marine entities surface of an astronomical body A tornado which a) is not associated with a mesocyclone and is thus relatively weak and short-lived, b) is centred on a small, smooth condensation funnel which often does not reach the planetary surface, and c) forms a distinctively laminar cloud of dust when it makes contact with the land. 2018-10-04T19:01:01Z dust-tube tornado fair weather waterspout on land land spout landspout A tornado which a) is not associated with a mesocyclone and is thus relatively weak and short-lived, b) is centred on a small, smooth condensation funnel which often does not reach the planetary surface, and c) forms a distinctively laminar cloud of dust when it makes contact with the land. https://en.wikipedia.org/wiki/Tornado A tornado which connects a cumulus or cumulonimbus cloud to a body of water, often transporting water from that water body along the spiraling winds constituting its vortex. 2018-10-04T19:01:17Z water spout Wikipedia notes that there is disagreement over whether to classify waterspouts as true tornadoes. waterspout A tornado which connects a cumulus or cumulonimbus cloud to a body of water, often transporting water from that water body along the spiraling winds constituting its vortex. https://en.wikipedia.org/wiki/Tornado An elevation which is flattened across its highest surface. 2018-10-05T21:12:47Z flattened elevation An electromagnetic radiation process during which electromagnetic waves or their quanta are emitted from a manufactured product. 2019-01-09T09:07:24Z anthropogenic radiation artificial radiation environmental_hazards envoAstro radiation from a manufactured product An electromagnetic radiation process during which electromagnetic waves or their quanta are emitted from a manufactured product. https://en.wikipedia.org/wiki/Electromagnetic_radiation https://en.wikipedia.org/wiki/Solar_irradiance A material transformation process during which a material's viscosity increase either through a reduction in temperature, through chemical reactions, or other physical effects. 2019-01-14T18:47:32Z congelation congelation process Sometimes the increase in viscosity is great enough to crystallize or solidify the substance in question. material congelation process A material transformation process during which a material's viscosity increase either through a reduction in temperature, through chemical reactions, or other physical effects. https://en.wikipedia.org/wiki/Congelation Sometimes the increase in viscosity is great enough to crystallize or solidify the substance in question. https://en.wikipedia.org/wiki/Congelation Land which is below the freezing point of water. 2019-01-14T21:18:19Z http://sweetontology.net/realmCryo/FrozenGround frozen ground Perennially and seasonally frozen ground can vary from being partially to extensively frozen depending on the extent of the phase change. It may be described as hard frozen ground, plastic frozen ground, or dry frozen ground, depending on the pore ice and unfrozen water contents and its compressibility under load. frozen land Land which is below the freezing point of water. https://orcid.org/0000-0003-4808-4736 Perennially and seasonally frozen ground can vary from being partially to extensively frozen depending on the extent of the phase change. It may be described as hard frozen ground, plastic frozen ground, or dry frozen ground, depending on the pore ice and unfrozen water contents and its compressibility under load. https://orcid.org/0000-0003-4808-4736 Soil which is below the freezing point of water. 2019-01-14T21:26:59Z frozen soil A material congelation process during which a liquid turns into a solid when its temperature is lowered below its melting point. 2019-01-31T21:13:16Z envoCryo envoPolar freezing A material congelation process during which a liquid turns into a solid when its temperature is lowered below its melting point. https://en.wikipedia.org/wiki/Freezing A freezing process during which liquid water is transformed into water ice. 2019-01-31T21:16:46Z freezing of water into water ice A water surface that is part of a water body. 2019-02-27T21:22:13Z surface layer of a water body An aggregate of raindrops falling to a planetary surface during a precipitation process. 2019-03-02T13:50:58Z rain Rain which is composed of water droplets falling to a planetary surface during a rainfall process. 2019-03-02T13:52:48Z water-based rain Sound which is lower in frequency than 20 Hertz, or cycles per second. 2019-03-02T14:06:26Z inaudible sound low-frequency sound 20 Hertz is the average limit of human hearing. infrasound Sound which is lower in frequency than 20 Hertz, or cycles per second. https://en.wikipedia.org/wiki/Infrasound An ecoregion which is located on a landmass. 2019-03-05T17:40:44Z https://www.worldwildlife.org/biome-categories/terrestrial-ecoregions terrestrial ecoregion A surface layer which is part of an ocean or sea. 2019-03-06T01:22:01Z envoMarine envoPlastics At this level, the depth of this layer is ambiguous. Some methods (telemetry) measure only the first few centimeters of the sea or ocean surface. In situ methods often sample the first few meters. Subclasses can be created for such cases. Sea surface layer is also used to refer to the surfaces of oceans. sea surface layer A layer which is part of a cryosphere. 2019-04-09T13:05:25Z envoPolar cryospheric layer Permafrost which contains inclusions of water-based ice. 2019-04-09T13:45:40Z ice-bearing permafrost A material accumulation process during which the mass of snow on a surface increases. 2019-04-24T18:29:18Z http://sweetontology.net/phenCryo/Accumulation This term is used both as a process and as an amount of mass added. Semantically speaking these are two distinct concepts (e.g., accumulation results in accumulation_amount of ice or snow gain), though accumulation_amount would more likely be an attribute. The scope of this term varies depending on the definition. Some definitions constrain themselves snow or ice added to glaciers; while others also include ice fields, snow cover, and/or floating ice. How to resolve this depends on the scope desired. Some definitions include additional discussion of the the physics involved which would be useful for connecting glacier ontologies to atmospheric, hydrologic, etc. ontologies. This information should be captured no matter how the inconsistencies above are resolved. snow accumulation process A material accumulation process during which the mass of snow on a surface increases. A material accumulation process during which ice forms in an environmental material or an existing accumulation of ice increases in mass. 2019-04-24T18:48:53Z http://sweetontology.net/phenCryo/Accumulation ice accumulation process A material accumulation process during which ice forms in an environmental material or an existing accumulation of ice increases in mass. A material accumulation process during which a accumulation of snow and ice forms or increases in mass. 2019-04-24T18:59:45Z http://sweetontology.net/phenCryo/Accumulation snow and ice accumulation process A material accumulation process during which a accumulation of snow and ice forms or increases in mass. A object which is composed primarily of water-based snow and ice. 2019-04-24T19:08:03Z http://sweetontology.net/phenCryo/Accumulation mass of ice and snow A process during which microscopic solid particulates are formed from liquid materials in an atmosphere. 2019-05-30T21:07:51Z atmospheric formation of a solid aerosol formation of a solid aerosol in an atmosphere formation of a solid aerosol in the atmosphere formation of solid particles from liquid material in an atmosphere envoAtmo formation of a solid aerosol from liquid material in an atmosphere A process during which microscopic solid particulates are formed from liquid materials in an atmosphere. https://en.wikipedia.org/wiki/Particulates 2019-06-02T07:35:09Z Carbonate which is formed as the result of some biological process. material primarily composed of biogenic carbonates That part of an atmosphere which is composed of gaseous material. 2019-06-02T07:52:47Z gaseous part of an atmosphere A solid material which does not have a regularly organised internal structure. 2019-06-02T11:07:47Z amorphous solid An aerosol that is suspended in an atmosphere. 2019-06-03T12:24:09Z atmospheric aerosol A material transformation process during which solid or liquid particles form and are suspended in a mass of air, thus creating an aerosol. 2019-06-24T13:43:29Z aerosol formation process A surface layer which is composed primarily of some liquid or gas. 2019-08-20T08:28:42Z fluid surface layer A surface layer which separates two portions of fluid with respect to either 1) a discontinuity of some fluid property or 2) some derivative of one of these properties in a direction normal to the interface. 2019-07-22T17:29:44Z fluid interface layer A surface layer which separates two portions of fluid with respect to either 1) a discontinuity of some fluid property or 2) some derivative of one of these properties in a direction normal to the interface. A layer which is composed primarily of some fluid. 2019-07-22T17:35:08Z fluid layer A fluid interface which separates two fluid masses with differing properties. 2019-07-22T17:43:32Z fluid front A fluid interface which separates two fluid masses with differing properties. A fluid front which is composed primarily of gaseous material and separates at least two gaseous masses. 2019-07-22T17:50:08Z gaseous front 2 A gaseous front which separates two masses of air with different densities and is a principal cause of meteorological phenomena. 2019-07-22T17:57:21Z meteorological front envoAtmo This class refers to Earth's weather fronts. Other forms, not composed of air, are present on other planets and can be created on request. Note: "Since the temperature distribution is the most important regulator of atmospheric density, a front almost invariably separates air masses of different temperature. Along with the basic density criterion and the common temperature criterion, many other features may distinguish a front, such as a pressure trough, a change in wind direction, a moisture discontinuity, and certain characteristic cloud and precipitation forms." weather front A gaseous front which separates two masses of air with different densities and is a principal cause of meteorological phenomena. This class refers to Earth's weather fronts. Other forms, not composed of air, are present on other planets and can be created on request. Note: "Since the temperature distribution is the most important regulator of atmospheric density, a front almost invariably separates air masses of different temperature. Along with the basic density criterion and the common temperature criterion, many other features may distinguish a front, such as a pressure trough, a change in wind direction, a moisture discontinuity, and certain characteristic cloud and precipitation forms." An object which is composed of a continuous mass of air. 2019-08-20T07:54:32Z envoAtmo air mass A fluid surface layer which is composed primarily of some gaseous material. 2019-08-20T08:30:01Z gaseous surface layer A layer which separates two portions of environmental material which possess 1) differing compositions, 2) a discontinuity of some property, or 3) some derivative of some property in a direction normal to the interface. 2019-08-20T09:28:10Z interface layer An object which is composed primarily of an environmental material 2019-08-20T09:38:29Z This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. mass of environmental material An mass of environmental material which is composed primarily of a solid environmental material 2019-08-20T09:41:27Z This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. mass of solid material An object which is composed primarily of a fluid. 2019-08-20T09:42:35Z fluid mass This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. mass of fluid An object which is composed primarily of a gas. 2019-08-20T09:44:01Z gaseous mass This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. mass of gas An object which is composed primarily of a liquid. 2019-08-20T09:45:03Z liquid mass This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. mass of liquid 2 An mass of environmental materials which has appreciable quantities of several individual materials, such that the removal of one would convert the mass into a different entity. 2019-08-20T09:47:10Z mass of compounded environmental materials A weather front which separates air masses of tropical and polar origin. 2019-08-20T13:46:42Z envoAtmo envoPolar polar front A weather front which separates air masses of tropical and polar origin. An advective transport process during which a fluid moves. 2019-09-05T05:47:26Z mass fluid flow A mass fluid flow which moves in the same direction as a planet's rotation, rotating due to a Coriolis effect. 2019-09-05T05:47:55Z cyclonic rotation envoAtmo envoMarine envoPolar cyclonic circulation A mass fluid flow which moves in the same direction as a planet's rotation, rotating due to a Coriolis effect. A material transport process during which parts of an elastic material oscillate around their positions of equilibrium. 2019-10-07T08:36:54Z vibration vibration process A material transport process during which parts of an elastic material oscillate around their positions of equilibrium. A process during which the ability of a material entity to maintain its internal organisation fails, resulting in deformation and a breakdown of that organisation. 2019-10-07T10:08:24Z This is a very general concept, and should likely be elevated to OBO Core rather than held in ENVO. structural collapse process A process during which the ability of a material entity to maintain its internal organisation fails, resulting in deformation and a breakdown of that organisation. An environmental zone which includes those regions of an astronomical body which are not exposed to its atmosphere or space. 2019-10-07T14:22:38Z subsurface zone of an astronomical body An ecosystem in which the composition, structure, and function of resident ecological assemblages are primarily determined by a desert. 2019-10-17T08:21:08Z desert ecosystem A solid astronomical body part which is part of the landmass of that body. 2019-10-17T08:27:17Z part of a landmass A large continuous area of land, either surrounded by sea or contiguous with another landmass. 2019-10-17T08:31:26Z landmass A large continuous area of land, either surrounded by sea or contiguous with another landmass. A part of an astronomical body which is composed of a continuous medium bearing liquid, gaseous, and solid material in variable quantities. 2019-10-17T08:36:00Z compound astronomical body part A part of an astronomical body which is composed of a continuous medium bearing liquid, gaseous, and solid material in variable quantities. https://en.wikipedia.org/wiki/Landform A surface layer of an astronomical body which is primarily composed of solid material and is not covered by oceans or other bodies of water. 2019-10-21T10:42:26Z land A surface layer of an astronomical body which is primarily composed of solid material and is not covered by oceans or other bodies of water. 2019-10-21T11:05:45Z aquatic ecosystem 2019-10-21T11:06:11Z marine ecosystem 2019-10-21T11:06:34Z freshwater ecosystem 2019-10-21T11:09:58Z terrestrial ecosystem An environmental process either driven by or primarily impacting the parts or emergent properties of an ecosystem. 2019-10-21T11:52:55Z ecosystem process A material entity which has been assembled through the intentional, instinctual, or deliberately programmed efforts of an organism or machine. 2019-10-29T14:50:34Z construction An object which is formed as a result of one or more biological processes and is composed primarily of organic material. 2019-10-29T15:02:58Z organic object A biome which is subject to alpine altitudinal conditions. 2019-11-06T15:59:35Z alpine biome A biome which is subject to montane altitudinal conditions. 2019-11-06T16:00:33Z montane biome A biome which is subject to arid environmental conditions. 2019-11-06T16:06:47Z arid biome A process during which one entity loses energy to another entity. 2020-02-13T13:34:28Z energy transfer process A material accumulation process during which the volume of liquid entity increases. 2020-05-18T14:39:20Z liquid accumulation process The concentration of carbon dioxide when measured in air that is part of an atmosphere. 2020-05-19T22:51:38Z envoAtmo envoNceas concentration of carbon dioxide in an atmosphere A landform which occurs on the surface of an astronomical body. 2021-05-15T09:16:23Z geographic feature The usage of "surface" here aligns with that of planetary surface: in contact with the atmosphere or space. The extent of the "surface" can vary. For rocky planets like Earth, astrogeologists consider the crust as the surface. surface landform A solid astronomical body part which has been formed from and is composed primarily of the matter of that astronomical body. 2021-05-15T09:40:37Z Landforms may be natural or anthropogenic. This term has often has loose usage when referencing entities which are either subterranean or submerged below water bodies. In some cases, oceans themselves are considered landforms. Here, we have provided subclasses to resolve this ambiguity, but place oceans and other water bodies elsewhere.In later revisions, this hiearchy is likely to be reordered based on the formation processes of the entities within it. landform A solid astronomical body part which has been formed from and is composed primarily of the matter of that astronomical body. A disposition of a material entity which is realised when it is saturated with liquid water. water-holding capacity A mass of solid material which is either 1) a minute fragment of a larger mass or 2) one of a collection of small masses composing an aggregate. grain particle A mass of solid material which is either 1) a minute fragment of a larger mass or 2) one of a collection of small masses composing an aggregate. A particle which 1) is composed primarily of hydrous aluminium phyllosilicate minerals, in turn composed of aluminium and silicon ions bonded into tiny, thin plates by interconnecting oxygen and hydroxide ions, and 2) is or was part of a portion of clay. clay particle The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. particle of clay A particle which 1) is composed primarily of hydrous aluminium phyllosilicate minerals, in turn composed of aluminium and silicon ions bonded into tiny, thin plates by interconnecting oxygen and hydroxide ions, and 2) is or was part of a portion of clay. The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. A material transport process which arises spontaneously due to physical heterogeneities in a portion of a material and forces which act throughout its volume. Most commonly, convective flows are generated by heterogeneities in density or the effects of gravity. When the cause of the convection is unspecified, convection due to the effects of thermal expansion and buoyancy can be assumed. Convection frequently occurs in fluids, but may also take place in soft solids or mixtures where particles can flow. convective transport process A material transport process which arises spontaneously due to physical heterogeneities in a portion of a material and forces which act throughout its volume. Most commonly, convective flows are generated by heterogeneities in density or the effects of gravity. When the cause of the convection is unspecified, convection due to the effects of thermal expansion and buoyancy can be assumed. Convection frequently occurs in fluids, but may also take place in soft solids or mixtures where particles can flow. A physical quality of a process which is characteristic of processes that transport material within a volume due to the combined effects of material property heterogeneity and body forces across that volume. convective A physical quality of a process which is characteristic of processes that transport material within a volume due to the combined effects of material property heterogeneity and body forces across that volume. A physical quality of a process which is characteristic of process that transport material without, themselves, changing the qualities of those materials or the processes that are unfolding within them. advective A physical quality of a process which is characteristic of process that transport material without, themselves, changing the qualities of those materials or the processes that are unfolding within them. A material transport process during which material moves from a region of higher concentration to a region of lower concentration. diffusion Diffusion is also applied to the movement of energy, thus the more specific label. This class will be repositioned (but with the core of its definition intact) if we include other forms of diffusion in ENVO. material diffusion process A material transport process during which material moves from a region of higher concentration to a region of lower concentration. An organic material which is primarily composed of some natural bodily fluid or secretion such as blood, semen, saliva, blood plasma, intracellular and interstitial fluids. https://en.wikipedia.org/wiki/Bodily_fluid ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. bodily fluid material An organic material which is primarily composed of some natural bodily fluid or secretion such as blood, semen, saliva, blood plasma, intracellular and interstitial fluids. URL:http://medical-dictionary.thefreedictionary.com/bodily+fluid https://en.wikipedia.org/wiki/Body_fluid A bodily fluid material which is composed primarily of blood, a bodily fluid composed of blood plasma and blood cells suspended within the plasma that circulates around the organism's body. Blood performs may important functions including the supplying of oxygen and nutrients, removal of waste, circulation of white blood cells, detection of antibodes, coagulation, transportation of antibodies and the regulation of pH and body temperature. ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. blood material A bodily fluid material which is composed primarily of blood, a bodily fluid composed of blood plasma and blood cells suspended within the plasma that circulates around the organism's body. Blood performs may important functions including the supplying of oxygen and nutrients, removal of waste, circulation of white blood cells, detection of antibodes, coagulation, transportation of antibodies and the regulation of pH and body temperature. https://en.wikipedia.org/wiki/Blood https://en.wikipedia.org/wiki/Body_fluid A bodily fluid material which is composed primarily of amniotic fluid, a bodily fluid consisting of watery liquid surrounding and cushioning a growing fetus within the amnion. It allows the fetus to move freely without the walls of the uterus being too tight against its body. Buoyancy is also provided. ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. amniotic fluid material A bodily fluid material which is composed primarily of amniotic fluid, a bodily fluid consisting of watery liquid surrounding and cushioning a growing fetus within the amnion. It allows the fetus to move freely without the walls of the uterus being too tight against its body. Buoyancy is also provided. URL:http://en.wikipedia.org/wiki/Amniotic_fluid A bodily fluid material which is composed primarily of excreta, bodily fluids consisting of matter which contains the waste products of biological processes, including urine or feces, discharged from an organism's body. ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. excreta material A bodily fluid material which is composed primarily of excreta, bodily fluids consisting of matter which contains the waste products of biological processes, including urine or feces, discharged from an organism's body. URL:http://medical-dictionary.thefreedictionary.com/excreta A bodily fluid material which is composed primarily of bile, a bodily fluid consisting of a bitter, yellow or green alkaline fluid secreted by hepatocytes from the liver of most vertebrates. In many species, bile is stored in the gallbladder between meals and upon eating is discharged into the duodenum where the bile aids the process of digestion of lipids. gall ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. bile material A bodily fluid material which is composed primarily of bile, a bodily fluid consisting of a bitter, yellow or green alkaline fluid secreted by hepatocytes from the liver of most vertebrates. In many species, bile is stored in the gallbladder between meals and upon eating is discharged into the duodenum where the bile aids the process of digestion of lipids. https://en.wikipedia.org/wiki/Bile An environmental material that is the non-aqueous, non-gaseous residues that remain after something is burned. ash An environmental material that is the non-aqueous, non-gaseous residues that remain after something is burned. https://en.wikipedia.org/wiki/Ash A combustible black or brownish-black sedimentary rock usually occurring in rock strata in layers or veins called coal beds or coal seams. coal A combustible black or brownish-black sedimentary rock usually occurring in rock strata in layers or veins called coal beds or coal seams. iron mine uranium mine a type of rock that contains sufficient minerals with important elements including metals that can be economically extracted from the rock. ore Ore which contains uranium. The primary uranium ore mineral is uraninite uranium ore iron ore gold ore platinum ore Dust which is derived from coal. coal dust Dust which is derived from mineral material. mineral dust Dust which is composed of fibrous material. fibrous dust fibrous glass dust Dust which is composed primarily of some metallic material. metallic dust cement dust Dust which is derived from clay material. clay dust Dust which is derived from asbestos asbestos dust Dust that comes from grain and all the other substances associated with its cultivation & harvesting. grain dust Dust that comes from grain and all the other substances associated with its cultivation & harvesting. http://www.cdc.gov/niosh/npg/npgd0305.html cotton dust dust from plant parts copper ore A gas, smoke, or vapor that smells strongly or is dangerous to inhale. fume welding fume Respirable vapor of vanadium. vanadium fume Respirable vapor of vanadium. zinc chloride fume Any liquid, liquefiable, or mastic composition that, after application to a substrate in a thin layer, converts to a solid film. It is most commonly used to protect, color, or provide texture to objects. paint Any liquid, liquefiable, or mastic composition that, after application to a substrate in a thin layer, converts to a solid film. It is most commonly used to protect, color, or provide texture to objects. Paint that contains lead. lead paint Paint that contains lead. the residue powder that is derived from the combustion of wood. wood ash the residue powder that is derived from the combustion of wood. https://en.wikipedia.org/wiki/Wood_ash Ash that is produced from the burning of coal. coal combustion residuals coal ash Ash that is produced from the burning of coal. https://www.epa.gov/coalash/coal-ash-basics coal combustion residuals https://www.epa.gov/coalash/coal-ash-basics A human construction which is used to initiate and control a fission nuclear chain reaction or nuclear fusion reactions. nuclear reactor A human construction which is used to initiate and control a fission nuclear chain reaction or nuclear fusion reactions. https://en.wikipedia.org/wiki/Nuclear_reactor A nuclear reactor which is used as a source of power. power reactor nuclear power reactor A nuclear reactor which is used as a source of power. https://en.wikipedia.org/wiki/Nuclear_reactor A liquid or a gas. fluid fluid environmental material A liquid or a gas. https://github.com/EnvironmentOntology/envo/issues/940 A process in which includes the components of an environmental system as participants. This is a convenience class for organisation and should not be used for annotation. environmental system process A type of land degradation in which terrestrial ecosystem becomes increasingly dry, typically losing its bodies of water as well as vegetation and wildlife. desertification A type of land degradation in which terrestrial ecosystem becomes increasingly dry, typically losing its bodies of water as well as vegetation and wildlife. A general and temporary condition of partial or complete inundation of normally dry land areas from the overflow of inland and/or tidal waters, and/or the unusual and rapid accumulation or runoff of surface waters from any source. A great flow along a watercourse or a flow causing inundation of lands not normally covered by water. environmental_hazards flooding A general and temporary condition of partial or complete inundation of normally dry land areas from the overflow of inland and/or tidal waters, and/or the unusual and rapid accumulation or runoff of surface waters from any source. A great flow along a watercourse or a flow causing inundation of lands not normally covered by water. GEMET: http://www.eionet.europa.eu/gemet/concept/3301 A process which occurs within an atmosphere. This class will be populated by inference and is primarily organisational. atmospheric process A process by which thermal radiation from a planetary surface is absorbed by atmospheric greenhouse gases, and is re-radiated in all directions. Since part of this re-radiation is back towards the surface and the lower atmosphere, it results in an elevation of the average surface temperature above what it would be in the absence of the gases. envoPolar greenhouse effect A process by which thermal radiation from a planetary surface is absorbed by atmospheric greenhouse gases, and is re-radiated in all directions. Since part of this re-radiation is back towards the surface and the lower atmosphere, it results in an elevation of the average surface temperature above what it would be in the absence of the gases. https://en.wikipedia.org/wiki/Greenhouse_effect A process which diminishes the functioning of an ecosystem located on land. An SDGIO request. Likely to be refined and revised. This could include, for example, reducing soil health, pollinator activity, or an ecosystem's ability to sequester carbon. land degradation A process which diminishes the functioning of an ecosystem located on land. http://www.who.int/globalchange/ecosystems/desert/en/ https://en.wikipedia.org/wiki/Land_degradation An ecosystem process during which the flora and fauna belonging to a forest are removed or destroyed. clearance clearing deforestation An ecosystem process during which the flora and fauna belonging to a forest are removed or destroyed. http://www.eionet.europa.eu/gemet/en/concept/2036 To be populated through inference. Do not use for annotation. forest process A process during which the populations in a community of algae in a marine or freshwater ecosystem undergo rapid growth, resulting in high concentrations of algal cells that occur only periodically and briefly in that ecosystem, relative to their concentrations through the majority of the planetary orbital period. envoPolar This class is under development. Note that cyanobacterial blooms are often confused with algal blooms. There is no globally recognised threshold beyond which community density enters a bloom state. algal bloom process A process during which the populations in a community of algae in a marine or freshwater ecosystem undergo rapid growth, resulting in high concentrations of algal cells that occur only periodically and briefly in that ecosystem, relative to their concentrations through the majority of the planetary orbital period. https://en.wikipedia.org/wiki/Algal_bloom This class is under development. Note that cyanobacterial blooms are often confused with algal blooms. There is no globally recognised threshold beyond which community density enters a bloom state. https://en.wikipedia.org/wiki/Algal_bloom To be ceded to external ontology (e.g. pco) alga algal bloom process phase TODO; add axioms pointing to GO organismal process; Add axioms pointing to toxin role accumulation of toxins from algal bloom process degradation of toxins from algal bloom process A process during which humans apply technology to alter the magnitude, duration, rate, or impact of an environmental process. Relabel the obo foundry unique label to be generic process anthropogenic modulatory intervention process An environmental process which is driven by the action of humans. anthropogenic environmental process An action of exogenic processes (such as water flow or wind) which remove environmental material from one part of a planet's crust, transporting it to another location where it is deposited. envoPolar planetary erosion An action of exogenic processes (such as water flow or wind) which remove environmental material from one part of a planet's crust, transporting it to another location where it is deposited. https://en.wikipedia.org/wiki/Erosion An environmental process which has water - in any of its states - as a participant. This classes asserted subclasses will be moved away as it should be an inferred class. hydrological process An environmental system process that results in the introduction of contaminants into an environment. pollution environmental_hazards Pollutants may be material or immaterial (e.g. heat energy) environmental pollution An environmental system process that results in the introduction of contaminants into an environment. A pollution process during which particulates or other contaminants are released into a portion of air. environmental_hazards envoPolar air pollution A pollution process during which contaminants are released into soil. environmental_hazards envoPolar soil pollution A pollution process during which contaminants are released into soil. A pollution process during which contaminants are released into water. environmental_hazards envoPolar water pollution A pollution process during which plastic contaminants are released into an environmental material. environmental_hazards envoPlastics envoPolar plastic pollution A pollution process during which plastic contaminants are released into an environmental material. A planned process during which the amount of pollutants released into an environmental system is regulated. pollution prevention pollution control A pollution process that results in increased levels of pollutants in an urban environment. environmental_hazards urban pollution A physical process during which atoms, molecules, or other consituents of a material entity are forced closer together. http://orcid.org/0000-0002-3410-4655 envoPolar compaction process A physical process during which atoms, molecules, or other consituents of a material entity are forced closer together. https://en.wikipedia.org/wiki/Compaction A process during which the mass of one or more materials, present within a given site, increases. http://orcid.org/0000-0002-3410-4655 envoPolar Experimental class for structural purposes not recommended for annotation. A material accumulation process ends a material transport process. material accumulation process A process during which material is displaced from its original location and transported either to a new location or back to the original location. http://orcid.org/0000-0002-3410-4655 envoPolar Experimental class for structural purposes not recommended for annotation. material transport process A depression which is part of a planetary crust, is of geographic scale, and is partially or completely enclosed. The general semantics of depression and geographic basin are still to be worked out see https://github.com/EnvironmentOntology/envo/issues/486 http://orcid.org/0000-0002-3410-4655 envoPolar geographic basin A depression which is part of a planetary crust, is of geographic scale, and is partially or completely enclosed. https://en.wikipedia.org/wiki/Basin A process during which a mass composed of one or more environmental materials, present within a given site, decreases. http://orcid.org/0000-0002-3410-4655 envoPolar Experimental class for structural purposes not recommended for annotation. material decumulation process A process during which a mass composed of one or more environmental materials, present within a given site, decreases. https://www.merriam-webster.com/dictionary/decumulation Sediment which has been transported through the marine water column, settling on the seafloor. http://orcid.org/0000-0002-3410-4655 marine sediments envoPolar Particles of marine sediment are primarily generated by 1) processes in terrestrial systems and transported to the marine realm by the action of rivers or aeolian processes (amongst other routes) , 2) marine organisms, 3) chemical processes in seawater, or 4) cosmogeneous input. marine sediment Sediment which has been transported through the marine water column, settling on the seafloor. https://en.wikipedia.org/wiki/Pelagic_sediment#_note-8 A material accumulation process during which solid particles are pulled through a water body by gravitation or centrifugal force and which ends when they settle on a solid surface. http://orcid.org/0000-0002-3410-4655 envoPolar sedimentation in a water body A process during which a portion of some environmental material is converted into a different material or a collection of materials. A different material transformation process class (or similarly named class) pertaining to the conversion of a specific chemical into another belongs in CHEBI and or REX ontologies. http://orcid.org/0000-0002-3410-4655 envoPolar Experimental class for structural purposes not recommended for annotation. A material transformation process only refers to ENVO:environmental material classes (e.g. bulk and typically impure substances), rather than transformations converting a specific chemical into another. material transformation process A desublimation process during which water vapour is frozen into water ice. http://orcid.org/0000-0002-3410-4655 envoPolar desublimation of water vapour into ice Permafrost which contains pockets of trapped methane gas. It would probably be better to assert parthood between the permafrost and cavities filled with gas rather than the gases themselves. http://orcid.org/0000-0002-3410-4655 bulgunyakh envoPolar Other hydrocarbon gasses such as carbon dioxide may also be present. These pockets can be sufficently large that the permafrost surface will undulate when pressure is applied. methane-laden permafrost Permafrost which contains pockets of trapped methane gas. http://www.nature.com/news/mysterious-siberian-crater-attributed-to-methane-1.15649 http://www.sciencealert.com/7-000-huge-gas-bubbles-have-formed-under-siberia-and-could-explode-at-any-moment A material transport process during which a portion of gaseous environmental material is transported into the atmosphere. http://orcid.org/0000-0002-3410-4655 envoPolar gas emission process A material transport process during which a portion of gaseous environmental material is transported into the atmosphere. https://en.wikipedia.org/wiki/Greenhouse_gas A gas emission process during which a portion of hydrocarbon gas is transported into the atmosphere. http://orcid.org/0000-0002-3410-4655 envoPolar Some hydrocarbon gasses within the atmosphere contribute to the planetary green house gas effect by increasing absorption of solar energy. hydrocarbon gas emission process A gas emission process during which a portion of hydrocarbon gas is transported into the atmosphere. https://www.epa.gov/ghgemissions/overview-greenhouse-gases A hydrocarbon gas emission process during which a portion of methane gas is transported into the atmosphere. http://orcid.org/0000-0002-3410-4655 envoPolar Methane is emitted during the production and transport of coal, natural gas, and oil. Methane emissions also result from livestock and other agricultural practices and by the decay of organic waste in municipal solid waste landfills. methane gas emission process A hydrocarbon gas emission process during which a portion of methane gas is transported into the atmosphere. https://www.epa.gov/ghgemissions/overview-greenhouse-gases A solid astronomical body part which is primarily composed of a continuous mass of snow and/or ice. Place holder class. Also the axiom should be changed to something along the lines of 'primairly composed of’ some ‘environmental material’ and ‘has quality’ frozen once PATO:frozen is imported. http://orcid.org/0000-0002-3410-4655 envoPolar cryoform A mass of snow. http://orcid.org/0000-0002-3410-4655 accumulation of snow snow accumulation http://sweetontology.net/phenCryo/Accumulation envoPolar snow mass The concentration of nitrate and nitrite when measured in liquid water. http://orcid.org/0000-0002-3410-4655 liquid water nitrate and nitrite concentration concentration of nitrate and nitrite in liquid water A water-based rainfall process during which water droplets with increased acidity fall towards a planetary surface. http://orcid.org/0000-0002-3410-4655 https://orcid.org/0000-0002-3884-3420 acid rain On Earth, the acidity of raindrops is typically increased through interactions of water molecules with sulfur dioxide or nitrogen oxide, released into the atmosphere by natural or anthropogenic processes. acid rainfall A water-based rainfall process during which water droplets with increased acidity fall towards a planetary surface. https://en.wikipedia.org/wiki/Acid_rain Water-based rain which has increased acidity. http://orcid.org/0000-0002-3410-4655 https://orcid.org/0000-0002-3884-3420 acid rain On Earth, the acidity of raindrops is typically increased through interactions of water molecules with sulfur dioxide or nitrogen oxide, released into the atmosphere by natural or anthropogenic processes. acidic water-based rain Water-based rain which has increased acidity. https://en.wikipedia.org/wiki/Acid_rain An astronomical body part which is composed primarily of environmental materials in their frozen form. For the moment the definition links to liquid water but in the future we might need to link to other materials for other planets, e.g., Mars. Need to make this planet agnostic. Might want to not have the definition link to years as some astronomical body parts might not be in systems with years. Note that in a strict sense, rocks are also frozen but in a practical sense we use terms like "solidified". This maybe something to revist if we add more astrogelogical content. 2021-04-14T18:57:18.275Z envoCryo envoPolar The term refers collectively to the portions of the earth (i.e., a planet) where water is in solid form, including snow cover, floating ice, glaciers, ice caps, ice sheets, seasonally frozen ground and perennially frozen ground (permafrost). The Cryosphere may be divided into the cryoatmosphere, the cryohydrosphere (snow cover, glaciers, and river, lake and sea Ice) and the cryolithosphere (perennially and seasonally cryotic ground, rock glacier). This is an Earth centric definition, other cryospheres will be considered later. Some definitions reffer to that which is sufficiently cold for pure water to freeze for at least a part of each year. It should be noted that "Some authorities exclude the earth's atmosphere from the Earth's Cryosphere; others restrict the term Cryosphere to the regions of the earth's crust where Permafrost exists." Definitions of Cryosphere come from several glossaries including: - PhysicalGeography.net http://physicalgeography.net/ - van Everdingen, Robert, ed., 2005 (1998 revised May 2005). Multi-language glossary of permafrost and related ground-ice terms. Boulder, CO: National Snow and Ice Data Center/World Data Center for Glaciology. [https://globalcryospherewatch.org/reference/glossary_docs/Glossary_of_Permafrost_and_Ground-Ice_IPA_2005.pdf] - American Meteorological Society, 2015. Glossary of Meteorology [online], Available at: http://glossary.ametsoc.org/wiki/Main_Page. [Accessed 27/01/2017]. - EU Climate-ADAPT (The European Climate Adaptation Platform), no date, Glossary, Available from: http://climate-adapt.eea.europa.eu/glossary - IPCC, 2014: Annex II: Glossary [Agard, J., Schipper, E. L. F., (ed.)]. In: Climate Change 2014: Impacts, Adaptation, and Vulnerability. Contribution of Working Group II to the Fifth Assessment Report of the Intergovernmental Panel on Climate Change [Birkmann, J., Campos, M., Dubeux, C., Nojiri, Y., Olsson, L., Osman-Elasha, B., Pelling, M., Prather, M. J., Rivera-Ferre M. G., Ruppel, O. C., Sallenger, A., Smith, K. R., St. Clair, A. L.,]. Cambridge University Press, Cambridge, United Kingdom and New York, NY, USA. [Link] - NSIDC, The National Snow and Ice Data Center glossary is available at https://nsidc.org/cryosphere/glossary, Last accessed [26/01/2016]. - Trombotto, D., P. Wainstein & L. Arenson, 2014, Guía Terminológica de la Geocriología Sudamericana” / “Terminological Guide of the South American Geocryology, 1a ed. 128 pp. [Link] - UNESCO-WMO, 2012, International Glossary of Hydrology, 3rd edition, WMO-No. 385. [Link] cryosphere An astronomical body part which is composed primarily of environmental materials in their frozen form. The term refers collectively to the portions of the earth (i.e., a planet) where water is in solid form, including snow cover, floating ice, glaciers, ice caps, ice sheets, seasonally frozen ground and perennially frozen ground (permafrost). The Cryosphere may be divided into the cryoatmosphere, the cryohydrosphere (snow cover, glaciers, and river, lake and sea Ice) and the cryolithosphere (perennially and seasonally cryotic ground, rock glacier). This is an Earth centric definition, other cryospheres will be considered later. Some definitions reffer to that which is sufficiently cold for pure water to freeze for at least a part of each year. It should be noted that "Some authorities exclude the earth's atmosphere from the Earth's Cryosphere; others restrict the term Cryosphere to the regions of the earth's crust where Permafrost exists." Definitions of Cryosphere come from several glossaries including: - PhysicalGeography.net http://physicalgeography.net/ - van Everdingen, Robert, ed., 2005 (1998 revised May 2005). Multi-language glossary of permafrost and related ground-ice terms. Boulder, CO: National Snow and Ice Data Center/World Data Center for Glaciology. [https://globalcryospherewatch.org/reference/glossary_docs/Glossary_of_Permafrost_and_Ground-Ice_IPA_2005.pdf] - American Meteorological Society, 2015. Glossary of Meteorology [online], Available at: http://glossary.ametsoc.org/wiki/Main_Page. [Accessed 27/01/2017]. - EU Climate-ADAPT (The European Climate Adaptation Platform), no date, Glossary, Available from: http://climate-adapt.eea.europa.eu/glossary - IPCC, 2014: Annex II: Glossary [Agard, J., Schipper, E. L. F., (ed.)]. In: Climate Change 2014: Impacts, Adaptation, and Vulnerability. Contribution of Working Group II to the Fifth Assessment Report of the Intergovernmental Panel on Climate Change [Birkmann, J., Campos, M., Dubeux, C., Nojiri, Y., Olsson, L., Osman-Elasha, B., Pelling, M., Prather, M. J., Rivera-Ferre M. G., Ruppel, O. C., Sallenger, A., Smith, K. R., St. Clair, A. L.,]. Cambridge University Press, Cambridge, United Kingdom and New York, NY, USA. [Link] - NSIDC, The National Snow and Ice Data Center glossary is available at https://nsidc.org/cryosphere/glossary, Last accessed [26/01/2016]. - Trombotto, D., P. Wainstein & L. Arenson, 2014, Guía Terminológica de la Geocriología Sudamericana” / “Terminological Guide of the South American Geocryology, 1a ed. 128 pp. [Link] - UNESCO-WMO, 2012, International Glossary of Hydrology, 3rd edition, WMO-No. 385. [Link] Snowfall which has an increased rate. 2021-04-14T18:57:18.275Z intense snowfall heavy snow intense snow envoCryo envoPolar This generally means snowfall accumulating to 4 inches or more in depth in 12 hours or less; or snowfall accumulating to 6 inches or more in depth in 24 hours or less. In forecasts, snowfall amounts are expressed as a range of values, e.g., "8 to 12 inches." However, in heavy snow situations where there is considerable uncertainty concerning the range of values, more appropriate phrases are used, such as "...up to 12 inches..." or alternatively "...8 inches or more...". heavy snowfall Snowfall which has an increased rate. This generally means snowfall accumulating to 4 inches or more in depth in 12 hours or less; or snowfall accumulating to 6 inches or more in depth in 24 hours or less. In forecasts, snowfall amounts are expressed as a range of values, e.g., "8 to 12 inches." However, in heavy snow situations where there is considerable uncertainty concerning the range of values, more appropriate phrases are used, such as "...up to 12 inches..." or alternatively "...8 inches or more...". An acoustic radiation process during which waves that transmit sound energy at frequencies above 20 kHz are emitted by a source. http://purl.bioontology.org/ontology/npo#NPO_1744 ultrasound radiation An infrared radiation during which waves with frequencies between 30 THz and 120 THz and with wavelengths between 10 micrometers and 2.5 micrometers are emitted by a source. http://purl.bioontology.org/ontology/npo#NPO_1739 mid-infrared radiation An infrared radiation during which waves with frequencies between 120 THz and 400 THz and with wavelengths between 2.5 micrometers and 750 nanometers are emitted by a source. http://purl.bioontology.org/ontology/npo#NPO_1740 near-infrared radiation An infrared radiation which consists of waves with frequencies between 300 GHz and 30 THz and with wavelengths between 1 mm and 10 micrometers are emitted by a source. http://purl.bioontology.org/ontology/npo#NPO_1738 far-infrared radiation A human construction in which healthcare is provided. 2021-03-15T04:00:01.750Z health facility medical facility healthcare facility A human construction in which healthcare is provided. An environmental material consisting of organic matter from plants and/or animals that is used in agriculture as fertilizer. 2021-03-15T04:00:01.750Z animal manure compost farm slurry green manure liquid manure Most manure consists of animal feces; other sources include compost and green manure. manure An environmental material consisting of organic matter from plants and/or animals that is used in agriculture as fertilizer. Dust which is 1) generated when wood is processed and 2) composed primarily of cellulose, polyoses, and lignin. 2020-08-03T17:28:49Z http://purl.obolibrary.org/obo/NCIT_C44463 Wood dust is typically generated through processes where wood is chipped, sawed, turned, drilled or sanded. The chemical composition of wood dust depends on the species of tree. Wood dust is not typically produced for specific uses. However, it is used commercially for wood composts. The primary routes of potential human exposure to wood dust are inhalation and dermal contact. It is known to be a human carcinogen. wood dust A hydraulic fluid which is 1) used in hydraulic brake and hydraulic clutch applications in vehicles to amplify braking force and 2) composed primarily of ethylene glycol, polyglycols, silicone fluids, and isobutyl alcohol. 2020-08-03T17:32:09Z brake fluid A hydraulic fluid which is 1) used in hydraulic brake and hydraulic clutch applications in vehicles to amplify braking force and 2) composed primarily of ethylene glycol, polyglycols, silicone fluids, and isobutyl alcohol. https://doi.org/10.1520/JTE14254 https://en.wikipedia.org/wiki/Brake_fluid Fluid used for valve operation, brake band friction, and gear lubrication within an automatic vehicle transmission. 2020-08-03T17:34:16Z ATF automatic transmission fluid Fluid used for valve operation, brake band friction, and gear lubrication within an automatic vehicle transmission. https://en.wikipedia.org/wiki/Automatic_transmission_fluid An environmental system process during which populations have reduced access to food, causing increased hunger, malnutrition, and consequent mortality. 2021-09-22T14:34:25Z famine A medium by which power is transferred in hydraulic machinery. 2020-08-03T17:35:45Z http://purl.enanomapper.org/onto/ENM_8000199 Common hydraulic fluids are based on mineral oil or water. hydraulic fluid A medium by which power is transferred in hydraulic machinery. https://en.wikipedia.org/wiki/Hydraulic_fluid A lubricant for internal combustion engines which 1) reduces friction and wear 2) cleans the engine 3) neutralizes acids 4) improves sealing of piston rings, and 5) cools the engine. 2020-08-03T17:37:56Z engine lubricant engine oil motor oil A lubricant for internal combustion engines which 1) reduces friction and wear 2) cleans the engine 3) neutralizes acids 4) improves sealing of piston rings, and 5) cools the engine. https://en.wikipedia.org/wiki/Motor_oil A liquid fuel used in diesel engines, whose fuel ignition takes place, without any spark, as a result of compression of the inlet air mixture and then injection of fuel. 2020-08-03T17:39:59Z petroleum distillate fuel oil diesel fuel A liquid fuel used in diesel engines, whose fuel ignition takes place, without any spark, as a result of compression of the inlet air mixture and then injection of fuel. https://en.wikipedia.org/wiki/Diesel_fuel https://www.eia.gov/energyexplained/diesel-fuel/ A clear petroleum-derived flammable liquid which is used as fuel in most spark-ignited internal combustion engines. 2020-08-03T17:41:45Z gas petrol Gasoline consists mostly of organic compounds obtained by the fractional distillation of petroleum, enhanced with a variety of additives. gasoline A clear petroleum-derived flammable liquid which is used as fuel in most spark-ignited internal combustion engines. https://en.wikipedia.org/wiki/Gasoline A gas which results from the incomplete or complete combustion of diesel fuel. 2020-08-03T17:43:30Z 2021-02-12T15:10:14.018Z http://purl.obolibrary.org/obo/NCIT_C113679 diesel exhaust A gas which results from the complete or incomplete combustion of gasoline fuel. 2020-08-03T17:44:42Z 2021-02-12T15:10:14.018Z gasoline exhaust A gas which results from the complete or incomplete combustion of gasoline fuel. https://www.ncbi.nlm.nih.gov/books/NBK531367/ A coloured substance that chemically bonds to the substrate to which it is being applied 2020-08-03T17:46:13Z dye A coloured substance that chemically bonds to the substrate to which it is being applied https://en.wikipedia.org/wiki/Dye Pigments carried by solvents or water which are applied to leather to be absorbed into the pores of the leather to deposit coloration. 2020-08-03T17:47:25Z leather dye Pigments carried by solvents or water which are applied to leather to be absorbed into the pores of the leather to deposit coloration. https://en.wikipedia.org/wiki/Leather_crafting Dyes used for the coloration or brightening of paper. 2020-08-03T17:48:08Z paper dye Dyes used for the coloration or brightening of paper. https://en.wikipedia.org/wiki/Dye Dyes utilized for coloring textiles such as wool or cellulose fibers. 2020-08-03T17:48:53Z fabric dye Textile dyes may include acid dyes, substantive dyes, mordant dues, sulfur dyes, azoic dyes, and disperse dyes. textile dye Dyes utilized for coloring textiles such as wool or cellulose fibers. https://www.britannica.com/topic/textile/Dyeing-and-printing A black or colored ink which is 1) used for writing, printing, and drawing and 2) made from fine soot (lampblack) and water. 2020-08-03T17:50:57Z Chinese ink Indian ink India ink A black or colored ink which is 1) used for writing, printing, and drawing and 2) made from fine soot (lampblack) and water. https://en.wikipedia.org/wiki/India_ink A polysaccharide that functions as an emulsifier, stabilizer, and thickener in mixtures. 2020-08-03T17:52:46Z http://purl.obolibrary.org/obo/DRON_00723355 http://purl.obolibrary.org/obo/FOODON_03413321 http://purl.obolibrary.org/obo/NCIT_C84244 xanthan gum A naturally occurring plant-based gum, which functions as a viscous, odorless, tasteless, water-soluble mixture of polysaccharides that absorbs water to become a gel/paste. 2020-08-03T17:54:12Z http://purl.obolibrary.org/obo/DRON_00723978 http://purl.obolibrary.org/obo/FOODON_03413310 http://purl.obolibrary.org/obo/NCIT_C84223 http://purl.obolibrary.org/obo/OMIT_0014984 shiraz gum tragacanth gum Tragacanth has many uses, including as an emulsifier, thickener, stabilizer, and texturant additive for foods, pharmaceuticals, and art materials. tragacanth Water based ink intended for use with fountain ink pens. 2020-08-03T17:56:50Z fountain pen ink Water based ink intended for use with fountain ink pens. https://en.wikipedia.org/wiki/Fountain_pen_ink A solid or highly viscous plant or synthetic based substance that is typically convertible into polymers. 2020-08-03T17:58:04Z resin A solid or highly viscous plant or synthetic based substance that is typically convertible into polymers. https://en.wikipedia.org/wiki/Resin A liquid, powder, spray, or granule used to remove dirt, including dust, stains, bad smells, and clutter on surfaces. 2020-08-03T17:59:40Z cleaning product cleaning agent A liquid, powder, spray, or granule used to remove dirt, including dust, stains, bad smells, and clutter on surfaces. https://en.wikipedia.org/wiki/Cleaning_agent A cleaning agent which 1) contains organic solvents and 2) dissolves oils and fats for the removal of grease. 2020-08-03T18:05:31Z solvent degreaser degreaser A cleaning agent which 1) contains organic solvents and 2) dissolves oils and fats for the removal of grease. https://en.wikipedia.org/wiki/Cleaning_agent#Degreasers A clear transparent hard protective film or finish, primarily used for wood finishing applications. 2020-08-03T18:06:48Z Varnish is traditionally composed of a drying oil, a resin, and a thinner or solvent. varnish A clear transparent hard protective film or finish, primarily used for wood finishing applications. https://en.wikipedia.org/wiki/Varnish A varnish containing a natural, plant- or insect-derived substance dissolved in a solvent, called spirit varnish or solvent varnish. 2020-08-03T18:07:58Z gum varnish resin varnish resin (gum) varnish A varnish containing a natural, plant- or insect-derived substance dissolved in a solvent, called spirit varnish or solvent varnish. https://en.wikipedia.org/wiki/Varnish A resin secreted by the female lac bug, which is dissolved in alcohol to be used as a brush-on colorant, food glaze, and wood finish. 2020-08-03T18:09:37Z shellack shellac A resin secreted by the female lac bug, which is dissolved in alcohol to be used as a brush-on colorant, food glaze, and wood finish. https://en.wikipedia.org/wiki/Shellac A category of hard and potentially shiny (clear or colored) finishes which can be applied to materials including wood or metal. 2020-08-03T18:11:57Z lacquer A category of hard and potentially shiny (clear or colored) finishes which can be applied to materials including wood or metal. https://en.wikipedia.org/wiki/Lacquer A solvent that can dissolve paint and reduce viscosity of paint or "thin" it. 2020-08-03T18:12:49Z Paint thinners can aid in removal of paint from brushes, rollers, or in spill cleanup. paint thinner A solvent that can dissolve paint and reduce viscosity of paint or "thin" it. https://www.truevaluepaint.com/paint/exterior/prep_cleanup_and_safety/use_paint_thinner_properly.aspx#:~:text=Paint%20thinners%20are%20solvents%20that,cleanup%20of%20spills%20or%20splatters A liquid, gel, or paste that can be mixed into acrylic paint to alter paint consistency and properties. 2020-08-03T18:13:54Z acrylic paint thinner acrylic paint medium A liquid, gel, or paste that can be mixed into acrylic paint to alter paint consistency and properties. https://en.wikipedia.org/wiki/Acrylic_paint A paint thinner specific for altering the viscosity of enamel paints. 2020-08-03T18:15:13Z enamel thinner A solvent used to thin oil-based paints or clean up after their use. 2020-08-03T18:15:45Z oil paint thinner A solvent used to thin oil-based paints or clean up after their use. https://en.wikipedia.org/wiki/Paint_thinner A paint product which adheres to surfaces and forms a binding layer, preparing it to receive paint. 2020-08-03T18:17:39Z primer (paint) A paint product which adheres to surfaces and forms a binding layer, preparing it to receive paint. https://en.wikipedia.org/wiki/Primer_(paint) A smooth, durable vitreous coating which is made by fusing powdered glass to a substrate. 2020-08-03T18:18:43Z porcelain enamel Enamel can be used on metal, glass, ceramics, stone, or any material able to withstand the fusing temperature. Enamel is made by 1) firing, melting the powder and 2) allowing allowing it to flow across a surface to then harden. vitreous enamel A smooth, durable vitreous coating which is made by fusing powdered glass to a substrate. https://en.wikipedia.org/wiki/Vitreous_enamel A slow-drying paint that consists of particles of pigment suspended in a drying oil, commonly linseed oil. 2020-08-03T18:21:06Z oil paint oil-based paint A slow-drying paint that consists of particles of pigment suspended in a drying oil, commonly linseed oil. https://en.wikipedia.org/wiki/Oil_paint A water soluble, fast-drying paint made of pigment suspended in acrylic polymer emulsion. 2020-08-03T18:22:26Z acrylic paint A water soluble, fast-drying paint made of pigment suspended in acrylic polymer emulsion. https://en.wikipedia.org/wiki/Acrylic_paint A paint that exhibits luminescence, giving off visible light through fluorescence, phosphorescence, or radioluminescence. 2020-08-03T18:23:19Z luminous paint luminescent paint A paint that exhibits luminescence, giving off visible light through fluorescence, phosphorescence, or radioluminescence. https://en.wikipedia.org/wiki/Luminous_paint A fluid obtained by the distillation of resin harvested from living trees, primarily used as a solvent. 2020-08-03T18:24:40Z oil of turpentine spirit of turpentine turps wood turpentine Turpentine is composed of terpenes. turpentine A fluid obtained by the distillation of resin harvested from living trees, primarily used as a solvent. https://en.wikipedia.org/wiki/Turpentine A flammable liquid hydrocarbon mixture produced from natural gas condensates, petroleum distillates, and the distillation of coal tar and peat. 2020-08-03T18:26:21Z Light and heavy varieties may consist of distinct quantities of carbon atoms per molecule. naphtha A flammable liquid hydrocarbon mixture produced from natural gas condensates, petroleum distillates, and the distillation of coal tar and peat. https://en.wikipedia.org/wiki/Naphtha Dust which is composed of minerals and trace elements, generated by finely crushed rock. 2020-08-03T18:27:44Z mineral fines rock flour soil remineralization rock powder Rock dust is widely used in mining to prevent coal dust explosions, or in agriculture for organic farming uses. rock dust Dust which is composed of minerals and trace elements, generated by finely crushed rock. https://en.wikipedia.org/wiki/Rockdust Any material containing unstable atoms that emit ionizing radiation as it decays. 2020-08-03T18:32:42Z radioactive material Any material containing unstable atoms that emit ionizing radiation as it decays. https://www.ehs.iastate.edu/research/radiation/radioactive-materials An environmental material which is primarily composed of cyanoacrolate. 2020-08-03T18:34:01Z Cyanoacrylates have industrial, medical, and household uses. A strong fast-acting adhesive which is an ester of cyanoacrylic acid. volume of cyanoacrylate An environmental material which is primarily composed of cyanoacrolate. https://en.wikipedia.org/wiki/Cyanoacrylate OBSOLETE A compound utilized for the production of plastics or polymers. 2020-08-03T18:35:21Z This term is ambigious, as it could refer to the compound the plastic is (supposed to be) made of, additives, contaminants, etc. Please instead directly refer to the compound of interest. obsolete plastic production compound true OBSOLETE A compound utilized for the production of plastics or polymers. https://plastics.americanchemistry.com/How-Plastics-Are-Made/ A preparation with dye or pigment used to deposit coloration to a substrate. 2020-08-03T18:36:50Z stain A preparation with dye or pigment used to deposit coloration to a substrate. https://www.merriam-webster.com/dictionary/stain A stain which has colorants dissolved and/or suspended in a vehicle or solvent, used to add color to wood. 2020-08-03T18:37:42Z Wood stain is designed to add color to substrates, while still leaving some of the substrate visible. wood stain A stain which has colorants dissolved and/or suspended in a vehicle or solvent, used to add color to wood. https://en.wikipedia.org/wiki/Wood_stain An environmental material which is composed of elastic polymers mixed in a solvent. 2021-02-12T15:10:14.018Z cow gum Solvents typically used include acetone, hexane, heptane or toluene. rubber cement An environmental material which is 1) composed primarily of methyl cellulose and water, and 2) formulated to fix wallpaper to walls. 2021-02-12T15:10:14.018Z wallpaper adhesive wallpaper paste methyl cellulose paste An environmental material which is 1) manufactured and 2) primarily composed of hydrogen peroxide and ammonia, and 3) when applied to hair, can alter the natural hair pigments for 6-8 weeks. 2021-02-12T15:10:14.018Z hair color permanent hair dye A colorant fluid which is 1) manufactured and 2) composed of alcohol, titanium dioxide, and propylene glycol. 2021-02-12T15:10:14.018Z pharmaceutical ink A colorant fluid which is 1) manufactured and 2) composed of copper phthalocyanine, iron oxides, water, and biopolymers. 2021-02-12T15:10:14.018Z gel ink A colorant fluid which is 1) manufactured and 2) primarily composed of soybean oil, as well as pigment, resin, and wax. 2021-02-12T15:10:14.018Z soy ink A colorant fluid which is 1) manufactured, 2) primarily composed of water, as well as glycol, and dye, and 3) intended for use in inkjet printers. 2021-02-12T15:10:14.018Z aqueous inkjet printer ink An environmental material which is composed primarily of gases and particles produced by the combustion of petroleum fuels. 2021-02-12T15:10:14.018Z emissions from petroleum combustion A liquid environmental material which 1) contains at least one substance which can act as a chemical colorant. 2021-04-15T15:10:14.018Z colorant fluid A function which is realised by a chemical when applied to a material, such that it alters the material's colour. 2021-04-15T15:10:14.018Z chemical colorant To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this). The german wikipedia page notes layers that coincide with the extent of the low étage, however, I have not yet seen further mention of them elsewhere and am thus hesitant about adding them. low étage A part of the troposphere which extends from the Earth's surface to 2 km (0 - 6500 ft) height. low atmospheric level To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this). The german wikipedia page notes layers that coincide with the extent of the low étage, however, I have not yet seen further mention of them elsewhere and am thus hesitant about adding them. A part of the troposphere which extends from the Earth's surface to 2 km (0 - 6500 ft) height. To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this). middle étage A part of the troposphere which extends from 2 km to 4 km (6 500 – 13 000 ft) height in the polar region, from 2 km to 7 km (6 500 – 23 000 ft) height in the temperate region, and from 2 km to 8 km (6 500 – 25 000 ft) height in the tropical region. middle atmospheric level A part of the troposphere which extends from 2 km to 4 km (6 500 – 13 000 ft) height in the polar region, from 2 km to 7 km (6 500 – 23 000 ft) height in the temperate region, and from 2 km to 8 km (6 500 – 25 000 ft) height in the tropical region. To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this). high étage A part of the troposphere which extends from 3 km to 8 km (10 000 – 25 000 ft) height in the polar region, from 5 km to 13 km (16 500 – 45 000 ft) height in the temperate region, and from 6 km to 18 km (20 000 – 60 000 ft) height in the tropical region. high atmospheric level A part of the troposphere which extends from 3 km to 8 km (10 000 – 25 000 ft) height in the polar region, from 5 km to 13 km (16 500 – 45 000 ft) height in the temperate region, and from 6 km to 18 km (20 000 – 60 000 ft) height in the tropical region. A part of a cloud. This definition is practical but may need refinement. cloud part A cloud part which is closest to the surface of the astronomical body local to the cloud. cloud base A cloud part which is furthest from the surface of the astronomical body local to the cloud. cloud top A water ice crystal which is constituted by water molecules aligned in a hexagonal array. snowflake snow crystal A water ice crystal which is constituted by water molecules aligned in a hexagonal array. snowflake Snow crystals and snowflakes are often noted as synonyms, however, the term "snowflake" is generally used more loosely. Some sites mention that snow crystals refer to individual crystals of ice, while the term "snowflake" can refer both to an individual crystal of ice and to a bundle of snow crystals. Please see here [https://github.com/EnvironmentOntology/envo/issues/998#issuecomment-685649444] Sediment which contains some chemical contaminant. See https://github.com/EnvironmentOntology/envo/issues/1102 for a possible design pattern. Uses undesirability standard, compared to polluted river's ecological impact standard. What is the relation to ENVO:00002114 'chemically enriched sediment'? Does 'element' in the definition refer to something found in the periosic table (like selenium) or the member of some set, aka an entity? 2021-04-05T16:38:47.162Z chemically contaminated sediment Sediment which contains some chemical contaminant. The concentration of carbon dioxide when measured in soil. 2019-03-14T21:13:30Z envoNceas concentration of carbon dioxide in soil The concentration of carbon dioxide when measured in air. 2019-03-14T21:24:04Z envoNceas concentration of carbon dioxide in air The concentration of carbon dioxide when measured in freshwater. 2019-03-14T21:29:50Z envoNceas concentration of carbon dioxide in freshwater The concentration of carbon dioxide when measured in seawater. 2019-03-14T21:35:30Z envoNceas concentration of carbon dioxide in seawater A surface layer which is composed primarily of soil. 2019-04-12T17:35:13Z envoNceas soil surface layer A material accumulation process during which atmospheric carbon dioxide is captured and stored. 2019-06-07T23:28:29Z envoNceas carbon sequestration process A material accumulation process during which atmospheric carbon dioxide is captured and stored. https://www.usgs.gov/faqs/what-carbon-sequestration?qt-news_science_products=0#qt-news_science_products An environnmental material which 1) is composed primarily of polymers with high molecular mass and 2) once deformed does not spontaneously return to its original shape. 2021-04-07T14:40:26Z Plastik plastica 塑膠 Kunststoff envoPlastics "High molecular mass" can be ambiguous as it does not set a threshold for what is considered "high". Here we make no commitment to a threshold. plastic An environnmental material which 1) is composed primarily of polymers with high molecular mass and 2) once deformed does not spontaneously return to its original shape. Kunststoff In German "Kunststoff" connotes those plastics which have intentionally been shaped by some art, thus "Kunst". A plastic which is composed primarily of polymers produced by a manufacturing process. The corresponding subclass axiom will be added in the second phase of this project. 2021-05-07T09:12:35Z manufactured plastic envoPlastics envoPolar synthetic plastic A layer that is composed primarily of soil. soil layer Texture which inheres in soil. 2021-12-26T21:49:12Z soil texture Water-holding capacity which inheres in some soil. soil water-holding capacity water-holding capacity of soil Water-holding capacity which inheres in some soil. The amount of a carbon atom when measured in environmental material. environmental material carbon atom amount amount of carbon atom in environmental material The amount of a carbon atom when measured in soil. soil carbon atom amount amount of carbon atom in soil The amount of a carbon atom when measured in water. water carbon atom amount amount of carbon atom in water The concentration of a carbon atom when measured in environmental material. environmental material carbon atom concentration concentration of carbon atom in environmental material The concentration of a carbon atom when measured in soil. soil carbon atom concentration concentration of carbon atom in soil The concentration of a carbon atom when measured in water. water carbon atom concentration concentration of carbon atom in water The concentration of a clay when measured in soil. soil clay concentration concentration of clay in soil The concentration of a slit when measured in soil. soil slit concentration concentration of slit in soil The concentration of a sand when measured in soil. soil sand concentration concentration of sand in soil The concentration of a gravel when measured in soil. soil gravel concentration concentration of gravel in soil The concentration of a liquid water when measured in soil. soil liquid water concentration soil moisture content soil water content concentration of liquid water in soil The concentration of a salt when measured in soil. soil salt concentration concentration of salt in soil The temperature of some environmental material. environmental material temperature temperature of environmental material The temperature of some air. air temperature temperature of air The quality of a environmental system process. quality of environmental system process environmental system process quality The porosity of some soil. soil porosity porosity of soil The mass density of some soil. soil mass density mass density of soil The concentration of a nitrate when measured in soil. soil nitrate concentration concentration of nitrate in soil The composition of some soil. soil composition composition of soil The structure of some soil. soil structure structure of soil The acidity of some soil. soil acidity soil pH acidity of soil The pressure of some air. air pressure pressure of air The temperature of some soil. soil temperature temperature of soil The wetness of some soil. soil wetness wetness of soil The temperature of some water. water temperature temperature of water The humidity of some soil. soil humidity humidity of soil The composition of some water. water composition composition of water The concentration of a nitrate when measured in groundwater. ground water nitrate concentration concentration of nitrate in groundwater The pressure of some atmospheric water vapour. atmospheric water vapour pressure pressure of atmospheric water vapour The porosity of some snow. snow porosity porosity of snow The porosity of some water ice. water ice porosity porosity of water ice The mass density of some snow. snow mass density mass density of snow A hydrological precipitation process with a reduced rate relative to some historical average, typically resulting in ecosystemic perturbations. Drought is often defined as a temporal period of below-average precipitation, however, representing it as a temporal entity seems insufficient. environmental_hazards drought A manufactured product that is some mixture of chemicals created through some chemical engineering process 2013-04-27T10:32:07Z ENVO ENVO:2000000 chemical product A manufactured product that is some mixture of chemicals created through some chemical engineering process The portion of chemical products obtained by the distillation of a tar that remains heavier than water, notably useful for its anti-septic and preservative properties 2013-04-27T10:35:14Z https://en.wikipedia.org/wiki/Creosote ENVO ENVO:2000001 creosote The portion of chemical products obtained by the distillation of a tar that remains heavier than water, notably useful for its anti-septic and preservative properties https://en.wikipedia.org/wiki/Creosote A wastewater treatment plant that treates industrial wastewater. Industrial wastewater treatment covers the mechanisms and processes used to treat waters that have been contaminated in some way by anthropogenic industrial or commercial activities prior to its release into the environment or its re-use. 2013-04-27T03:16:01Z ENVO ENVO:2000002 industrial wastewate treatment plant A wastewater treatment plant that treates industrial wastewater. Industrial wastewater treatment covers the mechanisms and processes used to treat waters that have been contaminated in some way by anthropogenic industrial or commercial activities prior to its release into the environment or its re-use. https://en.wikipedia.org/wiki/Industrial_wastewater_treatment A wastewater treatment plant that treats agriculatural wastewater. Agricultural wastewater treatment relates to the treatment of wastewaters produced in the course of agricultural activities. Agriculture is a highly intensified industry in many parts of the world, producing a range of wastewaters requiring a variety of treatment technologies and management practices. 2013-04-27T03:17:36Z ENVO ENVO:2000003 agricultural wastewater treatment plant A wastewater treatment plant that treats agriculatural wastewater. Agricultural wastewater treatment relates to the treatment of wastewaters produced in the course of agricultural activities. Agriculture is a highly intensified industry in many parts of the world, producing a range of wastewaters requiring a variety of treatment technologies and management practices. https://en.wikipedia.org/wiki/Agricultural_wastewater_treatment A feature that arises from a rapid increase or accumulation in the population of algae (typically microscopic) in an aquatic system. 2013-04-27T04:26:24Z EcoLexicon:algal_bloom SWEETRealm:AlgalBloom https://en.wikipedia.org/wiki/Algal_bloom ENVO ENVO:2000004 algal bloom A feature that arises from a rapid increase or accumulation in the population of algae (typically microscopic) in an aquatic system. https://en.wikipedia.org/wiki/Algal_bloom An algal bloom that is located in freshwater. Freshwater algal blooms are the result of an excess of nutrients, particularly some phosphates. 2013-04-27T04:28:27Z ENVO ENVO:2000005 envoPolar freshwater algal bloom An algal bloom that is located in freshwater. Freshwater algal blooms are the result of an excess of nutrients, particularly some phosphates. https://en.wikipedia.org/wiki/Algal_bloom#Freshwater_algal_blooms The generation of energy for use by humans 2018-11-03T20:02:04Z anthropogenic generation of energy 2018-11-03T20:04:34Z generation of energy from coal 2018-11-03T20:05:18Z generation of energy from oil A disposition which is realized during the execution of work, the emission of heat, or the possession of mass. 2018-11-03T20:22:18Z Consider replacing with PATO class; note that PATO class is not a disposition. This should likely go into OBO Core and also have a physicist look at it. energy Energy possessed by an object because of its position relative to other objects, stresses within itself, its electric charge, or other factors. 2018-11-03T20:24:50Z potential energy Energy which is realised through motion. 2018-11-03T20:25:57Z kinetic energy Energy which is the sum of 1) kinetic energy and 2) potential energy. 2018-11-03T20:26:08Z mixed potential and kinetic energy potential energy that binds nucleons to form the atomic nucleus (and nuclear reactions). 2018-11-03T20:28:07Z nuclear energy Potential energy which is stored in the fields of propagated by electromagnetic radiation. 2018-11-03T20:29:21Z radiant energy Kinetic energy which is realised through the microscopic motion of particles. 2018-11-03T20:30:20Z A form of disordered mechanical energy. thermal energy Thermal energy which propagates through a solid (typically rocky) astronomical body. 2018-11-03T20:47:30Z Often, this term is used specifically for thermal energy spreading from heat sources (e.g. magma chambers, the planetary core) within the Earth. However, it is also used for extraterrestrial bodies. geothermal energy 2018-11-03T20:48:18Z stellar radiation energy A power station which burns a fossil fuel such as coal, natural gas, or petroleum to produce electricity. 2018-11-03T21:00:37Z fossil fuel power plant 2018-11-03T21:01:16Z coal power plant 2018-11-03T21:02:17Z gas power station 2018-11-03T21:14:06Z solar power station 2018-11-03T21:15:52Z OTEC power plant OTEC power station ocean thermal power station 2018-11-03T21:35:24Z hydrocarbon-based environmental material An environment which is determined by an anatomical entity. anatomical entity environment integumental system environment A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths and frequencies which travel exclusively in a line-of-sight fashion and which may produce molecular rotation and torsion on contact with matter. NCIT:C16862 This definition focuses on the properties of microwaves rather than their wavelength or frequency limits. Considerable ambiguity exists around the wavelength and frequency thresholds of microwaves. The ISO 21348 definition bounds these waves at 1 mm and 15 mm, with frequencies between 100 GHz and 0.225 GHz. microwave radiation A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths and frequencies which travel exclusively in a line-of-sight fashion and which may produce molecular rotation and torsion on contact with matter. https://en.wikipedia.org/wiki/Microwave A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths ranging from millimetre to kilometer scales. ENVO As with microwaves, considerable variation exists in the delimitation of frequency and wavelength thresholds for radiowaves. The ISO 21348 standard allows a wavelength range of 0.10 mm to 100 m and a frequency range of 300 GHz to 3 MHz. However, much lower thresholds also exist. radio wave radiation A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths ranging from millimetre to kilometer scales. A radiation process during which electromagnetic waves or their quanta are emitted when molecules change their rotational-vibrational movements, usually at wavelengths between 760 nm and 1 mm. NCIT:C16736 infra-red radiation IR radiation infrared radiation A radiation process during which electromagnetic waves or their quanta are emitted when molecules change their rotational-vibrational movements, usually at wavelengths between 760 nm and 1 mm. https://en.wikipedia.org/wiki/Infrared A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths between 380 nm and 760 nm. NCIT:C17732 optical radiation ENVO visible light visible spectrum radiation A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths between 380 nm and 760 nm. visible light NCIT:C17732 A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths between 10 nm and 400 nm. To be expanded to account for subtypes. UV radiation ENVO environmental_hazards ultraviolet radiation A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths between 10 nm and 400 nm. https://en.wikipedia.org/wiki/Ultraviolet A radiation process during which penetrating electromagnetic radiation is emitted by high-energy electrons as they fall into a lower state of energy. NCIT:C17262 X ray radiation ENVO X-ray environmental_hazards X-ray radiation A radiation process during which penetrating electromagnetic radiation is emitted by high-energy electrons as they fall into a lower state of energy. https://en.wikipedia.org/wiki/X-ray X-ray NCIT:C17262 A radiation process during which penetrating electromagnetic radiation is emitted from the radioactive decay (gamma decay) of atomic nuclei. ENVO environmental_hazards gamma-ray radiation A radiation process during which penetrating electromagnetic radiation is emitted from the radioactive decay (gamma decay) of atomic nuclei. https://en.wikipedia.org/wiki/Gamma_ray A radiation process during which electromagnetic waves or their quanta are emitted with sufficient energy to disrupt molecular bonds or alter the electron number of atoms. NCIT:C17052 ionising radiation ENVO ionizing radiation A radiation process during which electromagnetic waves or their quanta are emitted with sufficient energy to disrupt molecular bonds or alter the electron number of atoms. https://en.wikipedia.org/wiki/Electromagnetic_radiation The concentration of Adenosine 5-triphosphate when measured in liquid water. liquid water Adenosine 5-triphosphate concentration concentration of Adenosine 5-triphosphate in liquid water The concentration of beta-carotene when measured in liquid water. liquid water beta-carotene concentration concentration of beta-carotene in liquid water The concentration of carotene when measured in liquid water. liquid water carotene concentration concentration of carotene in liquid water The concentration of dioxygen when measured in liquid water. liquid water dioxygen concentration concentration of dioxygen in liquid water The concentration of hydrogen peroxide when measured in liquid water. liquid water hydrogen peroxide concentration concentration of hydrogen peroxide in liquid water The concentration of hydrogen sulfide when measured in liquid water. liquid water hydrogen sulfide concentration concentration of hydrogen sulfide in liquid water The concentration of methane when measured in liquid water. liquid water methane concentration concentration of methane in liquid water The concentration of nitrate when measured in liquid water. liquid water nitrate concentration concentration of nitrate in liquid water The concentration of nitrite when measured in liquid water. liquid water nitrite concentration concentration of nitrite in liquid water The concentration of nitrous oxide when measured in liquid water. liquid water nitrous oxide concentration concentration of nitrous oxide in liquid water The concentration of phosphate when measured in liquid water. liquid water phosphate concentration concentration of phosphate in liquid water The acidity of some water. water acidity acidity of water The pressure of some water. water pressure pressure of water The concentration of nitrate when measured in sea water. sea water nitrate concentration concentration of nitrate in sea water The concentration of phosphate when measured in sea water. sea water phosphate concentration concentration of phosphate in sea water The concentration of nitrite when measured in sea water. sea water nitrite concentration concentration of nitrite in sea water The concentration of carbon atom when measured in sea water. sea water carbon atom concentration concentration of carbon atom in sea water The concentration of chloroflurocarbon when measured in sea water. sea water chloroflurocarbon concentration concentration of chloroflurocarbon in sea water The concentration of sulfur hexafluoride when measured in sea water. sea water sulfur hexafluoride concentration concentration of sulfur hexafluoride in sea water The concentration of calcium carbonate when measured in sea water. sea water calcium carbonate concentration concentration of calcium carbonate in sea water The concentration of dioxygen when measured in sea water. sea water dioxygen concentration concentration of dioxygen in sea water The concentration of urea when measured in liquid water. liquid water urea concentration concentration of urea in liquid water The concentration of oxygen when measured in soil. soil oxygen concentration concentration of oxygen in soil The concentration of manganese molecular entity when measured in soil. soil manganese molecular entity concentration concentration of manganese molecular entity in soil The concentration of iron molecular entity when measured in soil. soil iron molecular entity concentration concentration of iron molecular entity in soil The concentration of aluminium molecular entity when measured in soil. soil aluminium molecular entity concentration concentration of aluminium molecular entity in soil The concentration of magnesium molecular entity when measured in soil. soil magnesium molecular entity concentration concentration of magnesium molecular entity in soil The concentration of sodium molecular entity when measured in soil. soil sodium molecular entity concentration concentration of sodium molecular entity in soil The concentration of organophosphorus compound when measured in soil. soil organophosphorus compound concentration concentration of organophosphorus compound in soil The concentration of phosphorus molecular entity when measured in soil. soil phosphorus molecular entity concentration concentration of phosphorus molecular entity in soil The concentration of calcium carbonate when measured in soil. soil calcium carbonate concentration concentration of calcium carbonate in soil The concentration of organic molecular entity when measured in soil. soil organic molecular entity concentration concentration of organic molecular entity in soil An agent, stimulus, activity, or event that causes stress or tension on an organism and interacts with an exposure_receptor during an exposure event. 2010-09-21T02:43:50Z exposure_stressor ExO:0000000 exposure stressor An agent, stimulus, activity, or event that causes stress or tension on an organism and interacts with an exposure_receptor during an exposure event. CTD:curators An entity (e.g., a human, human population, or a human organ) that interacts with an exposure stressor during an exposure event. cmattin 2010-09-21T02:45:36Z exposure recipient exposure target exposure_receptor ExO:0000001 exposure_receptor An entity (e.g., a human, human population, or a human organ) that interacts with an exposure stressor during an exposure event. CTD:curators An interaction between an exposure stressor and an exposure_receptor. cmattin 2010-09-21T02:47:00Z exposure_event ExO:0000002 exposure event An interaction between an exposure stressor and an exposure_receptor. CTD:curators The way people or other living organisms come into contact with a stressor. cmattin 2011-01-10T09:38:37Z exposure_event ExO:0000055 route The way people or other living organisms come into contact with a stressor. CTD:curators The process of taking a material (e.g., stressor) into the mouth or body. cmattin 2011-01-10T09:38:47Z route ExO:0000056 ingestion The process of taking a material (e.g., stressor) into the mouth or body. CTD:curators The process of drawing in by breathing. cmattin 2011-01-10T09:38:59Z route ExO:0000057 inhalation The process of drawing in by breathing. CTD:curators A method of putting liquid into the body with a syringe and a hollow needle that punctures the skin. cmattin 2011-01-10T09:39:37Z route ExO:0000060 injection A method of putting liquid into the body with a syringe and a hollow needle that punctures the skin. GOC:hjd A route by which an exposure to a pregnant female causes an outcome in the fetus that might be observed long after birth cgrondin 2020-08-17T03:47:29Z route ExO:0000159 maternal A process of cutting food into smaller pieces, chunks or slices. Damion Dooley food cutting process Food material for humans and animals which is processed with the intention that it be consumable as a whole or added to other food products. Damion Dooley Foodon product type https://en.wikipedia.org/wiki/Food The FoodOn "food product" class is provided as a branch under which new food product categories and food products themselves can be placed. Here classes are provided to differentiate a food product by its food composition, processing and/or consumption characteristics. This avoids brand name products but it may include generic food dish categories. It has a much greater depth and polyhierarchy than other agency product type schemes have in an effort to group related products together. The upper level basis of this tree originated in the environment ontology (ENVO) and from the US Code of Federal Regulations. food product A food product made of meat, the skeletal muscle and associated fat, and other edible tissues such as organs, livers, skin, brains, bone marrow, kidneys, or lungs, of mammals. SUBSET_SIREN:F17332 mammalian meat food product A processed meat food product that is made from a sausage. 2022-10-28T11:02:42Z sausage food product A hot dog is a moist sausage of soft, even texture and flavor, often made from advanced meat recovery or meat slurry. Most types are fully cooked, cured or smoked. It is often placed hot in a special purpose soft, sliced hot dog bun. Damion Dooley hotdog frankfurter hot dog processed meat food product Cheese is a food derived from milk that is produced in a wide range of flavors, textures, and forms by coagulation of the milk protein casein. SUBSET_SIREN:F1076 https://en.wikipedia.org/wiki/Cheese cheese cheese food product A dairy product produced by bacterial fermentation of milk. Damion Dooley https://en.wikipedia.org/wiki/Yogurt https://upload.wikimedia.org/wikipedia/commons/thumb/2/23/Cacik-1.jpg/549px-Cacik-1.jpg yoghourt yoghurt yougert The bacteria used to make yogurt are known as yogurt cultures. The fermentation of lactose by these bacteria produces lactic acid, which acts on milk protein to give yogurt its texture and characteristic tart flavor. yogurt food product This class includes food products which are derived from or produced by a plant. plant food product Cabbage or headed cabbage (comprising several cultivars of Brassica oleracea) is a leafy green or purple biennial plant, grown as an annual vegetable crop for its dense-leaved heads. https://en.wikipedia.org/wiki/Cabbage cabbage food product A food product made from domestic pig meat (Sus domesticus or Sus scrofa scrofa). Damion Dooley http://en.wikipedia.org/wiki/Pork pork pork meat food product A meat that is preserved by the addition of a combination of salt, sugar, nitrates or nitrite and or is smoked. cured meat food product A meat that is preserved by the addition of a combination of salt, sugar, nitrates or nitrite and or is smoked. http://en.wikipedia.org/wiki/Cured_meat chicken meat food product Meat from bovines, especially domestic cattle (cows). beef food product Meat from bovines, especially domestic cattle (cows). http://en.wikipedia.org/wiki/Beef A frozen dessert usually made from dairy products, such as milk and cream, and often combined with fruits or other ingredients and flavours. Most varieties contain sugar, although some are made with other sweeteners. In some cases, artificial flavourings and colourings are used in addition to (or in replacement of) the natural ingredients. This mixture is stirred slowly while cooling to prevent large ice crystals from forming; the result is a smoothly textured ice cream. ice cream ice-cream ice cream food product A frozen dessert usually made from dairy products, such as milk and cream, and often combined with fruits or other ingredients and flavours. Most varieties contain sugar, although some are made with other sweeteners. In some cases, artificial flavourings and colourings are used in addition to (or in replacement of) the natural ingredients. This mixture is stirred slowly while cooling to prevent large ice crystals from forming; the result is a smoothly textured ice cream. Wikipedia:Ice_cream A seafood product is a vertebrate or invertibrate organism from an aquatic environment. Some of the subclasses are currently freshwater organisms. Damion Dooley animal seafood product fermented dairy food product fermented fish or seafood food product sea water fish food product A fine powder made from cereals or other starchy food sources. Damion Dooley Wikipedia:Flour http://www.langual.org/langual_thesaurus.asp?termid=H0152 flour added flour food product A food product derived from plant fruit. plant fruit food product Any of certain cuts of meat taken from the sides, belly or back of a pig that may be cured and/or smoked. Damion Dooley https://en.wikipedia.org/wiki/Bacon bacon food product fermented fruit food product A food produced by fermenting rice, barley and/or soybeans, with salt and the mold koji-kin (Aspergillus oryzae). Damion Dooley SUBSET_SIREN:F1971 subset_siren SIREN DB annotation: * has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'fermentation/modification process, multiple component' (http://purl.obolibrary.org/obo/FOODON_03460128) * formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * formed as a result of 'preservation by fermentation' (http://purl.obolibrary.org/obo/FOODON_03470104) miso food product A food product having fermented soyabeans as a defining ingredient fermented soybean food product sugar condiment A lipid material derived from plants. Physically, oils are liquid at room temperature. Damion Dooley vegetable oil food product An oil used as a nutritional supplement and is a traditional European ethnic food, highly regarded for its nutty flavor. http://langual.org 2019-09-19T21:51:42Z http://www.langual.org/langual_thesaurus.asp?termid=H0852 flax oil flax seed oil linseed oil linseed oil Food-grade flaxseed oil is cold-pressed, obtained without solvent extraction, in the absence of oxygen, and marketed as edible flaxseed oil.[wikipedia] flaxseed oil corn flour food product A food product which is derived from or produced by an animal that has a vertibrae. Damion Dooley vertebrate animal food product cereal grain food product Damion Dooley http://langual.org 2019-06-11T07:25:19Z SUBSET_SIREN:F5644 alcoholic beverage subset_siren SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) fermented beverage A food product made from an avian egg. avian egg food product bovine dairy food product cattle dairy food product bovine cheese food product cow milk cheese A food product made from domesticated bird meat. Damion Dooley poultry meat food product Suidae is a family of artiodactyl mammals which are commonly called pigs, hogs or boars. In addition to numerous fossil species, 17 extant species are currently recognized (or 18 counting domestic pigs and wild boars separately), classified into between four and eight genera. The family includes the domestic pig, Sus scrofa domesticus or Sus domesticus, in addition to numerous species of wild pig, such as babirusas and warthogs. All suids, or swine, are native to the Old World, ranging from Asia to Europe and Africa. Damion Dooley https://en.wikipedia.org/wiki/Suidae porcine meat swine food product A relish, sauce, or seasoning added to food to impart a particular flavour or to complement the dish. Damion Dooley https://en.wikipedia.org/wiki/Condiment condiment condiment food product bovine meat food product A beverage product derived from leaves of the tea plant (Camellia sinensis). Damion Dooley "While fermentation is also referred to in the production of brewed teas, this is inaccurate. Some herbal teas on the market today include probiotic cultures alongside tea leaves to maintain gut health but the tea itself hasn't been fermented. Most dried teas however don't use live cultures at all during production. Instead, harvested tea leaves undergo a natural chemical process known as oxidation, which also changes the color, flavor and level of health benefits in the resulting brew." [https://eatcultured.com/blogs/our-awesome-blog/fermented-tea] tea based beverage product coffee and coffee products coffee based beverage product wheat food product A food product deriving primarily from corn (maize). Damion Dooley maize food product maize (corn) food product A food product consisting of an edible fungi or mushroom or yeast. Damion Dooley fungus food product http://www.asmscience.org/content/journal/microbiolspec/10.1128/microbiolspec.FUNK-0030-2016 yeast food product tuber solanaceous root food product A food product derived from or produced by a plant root. plant root food product A potato food product is any product derived from potatoes. Damion Dooley potato food product Food items that are rich in sugar, any one or type of which is called a confection. Modern usage may include substances rich in artificial sweeteners as well. confectionery food product cucurbit fruit food product A citrus fruit is botanically classified as a type of berry called a hesperidium that has a thick, leathery rind, with numerous oil glands, and a large flesh portion composed of several wedge-shaped sections. Unlike pome fruit, such as the apple, the citrus fruit is derived from a superior ovary, an ovary completely separate from the calyx. Damion Dooley https://www.sciencedirect.com/topics/agricultural-and-biological-sciences/hesperidium citrus citrus fruit food product The fleshy fruit (false berry) of a plant of the family Cucurbitaceae. melon fruit food product muskmelon (Cucumis melo) fruit food product Citrullus lanatus is a plant species in the family Cucurbitaceae, a vine-like (scrambler and trailer) flowering plant originally from sub-Saharan Africa. It is cultivated for its fruit. The subdivision of this species into two varieties, watermelons (Citrullus lanatus (Thunb.) var. lanatus) and citron melons (Citrullus lanatus var. citroides (L. H. Bailey) Mansf.) Damion Dooley citrullus lanatus fruit food product pomes pomaceous fruit food product solanaceous fruit food product A food product deriving from one or more tomatoes. tomato food product solanaceous food product plant inflorescence food product cruciferous food product grape berry food product cruciferous inflorescence food product The default nut product is a whole, raw nut - meaning that the kernel is whole, and moderately or significantly dried, but not baked. Minimal references to nuts often leave ambiguous whether the shell is on or off. "I ate a peanut" doesn't clarify whether I ate a shell-off nut or whether I did the shelling. Damion Dooley SUBSET_SIREN:F16972 nut food product plant seed food product plant lipid food product plant stem food product invertebrate animal food product insect food product honey food product Food product that is 1) ready or nearly ready for consumption; 2) usually a composite of several foods or ingredients that often belong to distinct product types; 3) usually formulated, mixed and partially or fully cooked. prepared prepared food product Damion Dooley cooked food (cooked) bread food product rice food product common oat food product oat food product A product of the dry seeds of plants of the genus Pisum. Damion Dooley http://en.wikipedia.org/wiki/Legume dry pea food product PULSES are annual leguminous crops yielding from one to 12 grains or seeds of variable size, shape and colour within a pod. They are used for both food and feed. The term "pulses" is limited to crops harvested solely for dry grain, thereby excludingcrops harvested green for food (green peas, green beans, etc.) which are classified as vegetable crops. Also excluded are those crops used mainly for oil extraction (e.g.soybeand and groundnuts) and leguminous crops (e.g. seeds of clover and alfalfa) that are used exclusively for sowing purposes. Damion Dooley http://www.fao.org/WAICENT/faoinfo/economic/faodef/fdef04e.htm#4.02 pulse pulses pulse food product https://en.wikipedia.org/wiki/Legume#Classification_of_pulses wheat flour food product A food made from an unleavened dough of wheat or buckwheat flour and water, sometimes with other ingredients such as eggs and vegetable extracts. pasta food product A food made from an unleavened dough of wheat or buckwheat flour and water, sometimes with other ingredients such as eggs and vegetable extracts. http://en.wikipedia.org/wiki/Pasta A confection made from a concentrated solution of sugar in water, to which flavorings and colorants are added. Damion Dooley candy food product A food product derived from Theobroma cacao. cocoa and cocoa products cacao food product A dairy product that is composed of the higher-butterfat layer skimmed from the top of milk before homogenization. LANGUAL:C0195 sweet cream cream food product A dairy product that is composed of the higher-butterfat layer skimmed from the top of milk before homogenization. http://en.wikipedia.org/wiki/Cream bee food product A sausage made with fresh meats, and then fully cooked. Damion Dooley sausage (cooked) A fruit product that has been prepared and canned or bottled for long term storage. The preparation of fruit preserves traditionally involves the use of pectin as a gelling agent, although sugar or honey may be used as well. fruit preserve or jam food product A fruit product that has been prepared and canned or bottled for long term storage. The preparation of fruit preserves traditionally involves the use of pectin as a gelling agent, although sugar or honey may be used as well. http://en.wikipedia.org/wiki/Fruit_preserves A product made with whole fruit, cut into pieces or crushed. The fruit is heated with water and sugar to activate the pectin in the fruit. The mixture is then put into containers. jam food product A product made with whole fruit, cut into pieces or crushed. The fruit is heated with water and sugar to activate the pectin in the fruit. The mixture is then put into containers. http://en.wikipedia.org/wiki/Fruit_preserves#Jam A salad dressing that is usually mayonnaise-based, but which may also contain yogurt, sour cream, or creme fraiche. creamy salad dressing A salad dressing that is usually mayonnaise-based, but which may also contain yogurt, sour cream, or creme fraiche. http://en.wikipedia.org/wiki/Salad_dressing#Dressings A stable emulsion of oil, and vinegar or lemon juice, with many options for embellishment with other herbs and spices. Egg yolk is the traditional emulsifier. mayonnaise food product A stable emulsion of oil, and vinegar or lemon juice, with many options for embellishment with other herbs and spices. Egg yolk is the traditional emulsifier. http://en.wikipedia.org/wiki/Mayonnaise processed pork meat food product A vegetable product such as leaves, flowers, seeds and roots that is rich in essential oils and aromatic principles. Used mainly a a condiment. Damion Dooley http://www.fao.org/WAICENT/faoinfo/economic/faodef/fdef10e.htm#1.01 http://www.langual.org/langual_thesaurus.asp?termid=H0151 herb and spice herb or spice spice or herb animal lipid food product A brewed drink prepared from roasted seeds, commonly called coffee beans, of the coffee plant. Damion Dooley coffee beverage A beverage prepared from the cured leaves of Camellia sinensis by combination with hot or boiling water. Damion Dooley tea beverage (liquid) A fish food product includes products made from any fish species (aquatic vertebrate with gills and fins). Damion Dooley fish food product avian food product plant derived beverage plant derived fermented beverage nonfermented plant derived beverage product A dairy food product has mammilian milk or a milk component as an ingredient. Damion Dooley http://www.langual.org/langual_thesaurus.asp?termid=H0242 dairy product milk product dairy food product milk or milk based food product Are all fermented foods considered preserved to some extent? Damion Dooley food (fermented) Any plant food product which, typically, is constituted by intact parts from one or more annual plants cultivated as field and garden crops in the open and under glass, and used almost exclusively for food. vegetable food product Mature ovary of a plant, with a fleshy part of the carpel that develops with the seed to attract animals for aid in dispersal. Botanically, nuts are considered fruits. botanical fruit food product Mature ovary of a plant, with a fleshy part of the carpel that develops with the seed to attract animals for aid in dispersal. Botanically, nuts are considered fruits. http://eurovoc.europa.eu/drupal/?q=request&amp;uri=http://eurovoc.europa.eu/1115 http://oek1.fao.org/skosmos/agrovoc/en/page/c_3119 http://www.fao.org/pollination/resources/glossary/en/ https://en.wikipedia.org/wiki/Fruit A one-celled fruit (pod) usually dehiscing down both sutures, and having the seed attached along a ventral suture. (Roubik 1995) http://www.fao.org/pollination/resources/glossary/en/ legume http://purl.obolibrary.org/obo/FOODON_03411254 http://purl.obolibrary.org/obo/FOODON_03411338 legume food product A food consisting of a round or oval body laid by the female of many animals, consisting of an ovum surrounded by layers of membranes and an outer casing, which acts to nourish and protect a developing embryo and its nutrient reserves. Regarding American regulatory aspects of egg products, see this summary: https://www.politico.com/agenda/story/2016/03/crazy-us-chicken-egg-regulation-graphic-000077 egg food product A food consisting of a round or oval body laid by the female of many animals, consisting of an ovum surrounded by layers of membranes and an outer casing, which acts to nourish and protect a developing embryo and its nutrient reserves. Wikipedia:Egg_%28food%29 A hen egg food product is any food product consisting mainly of hen eggs or derivatives. https://en.wikipedia.org/wiki/Egg_as_food SUBSET_SIREN:F1074 hen egg food product A food that is usually sweet and often baked. Cakes normally combine some kind of flour, a sweetening agent (commonly sugar), a binding agent (generally egg, though gluten or starch are often used by lacto-vegetarians and vegans), fats (usually butter, shortening, or margarine, although a fruit puree such as applesauce is sometimes substituted to avoid using fat), a liquid (milk, water or fruit juice), flavors and some form of leavening agent (such as yeast or baking powder), though many cakes lack these ingredients and instead rely on air bubbles in the dough to expand and cause the cake to rise. Cake is often frosted with buttercream or marzipan, and finished with piped borders and crystallized fruit. cake food product A food that is usually sweet and often baked. Cakes normally combine some kind of flour, a sweetening agent (commonly sugar), a binding agent (generally egg, though gluten or starch are often used by lacto-vegetarians and vegans), fats (usually butter, shortening, or margarine, although a fruit puree such as applesauce is sometimes substituted to avoid using fat), a liquid (milk, water or fruit juice), flavors and some form of leavening agent (such as yeast or baking powder), though many cakes lack these ingredients and instead rely on air bubbles in the dough to expand and cause the cake to rise. Cake is often frosted with buttercream or marzipan, and finished with piped borders and crystallized fruit. Wikipedia:Cake A ground beef product is made of beef that has been finely chopped with a knife or a meat grinder (American English) or mincing machine (British English). Ground beef is used in many recipes including hamburgers and spaghetti Bolognese. beef mince beef mince ground beef hamburger meat minced beef ground beef food product A food product from a category of domestic birds kept for meat, eggs, and feathers including fowl such as chickens, turkeys, and waterfowls such as domestic ducks and geese and other meat birds such as pigeons and doves and games birds including pheasants. Damion Dooley poultry food product A turkey meat food product is any food product made predominantly of turkey parts. Damion Dooley turkey meat food product Cantaloupe (also known as muskmelon (India and the United States), mushmelon, rockmelon (in Australian states and in New Zealand), sweet melon, spanspek (South Africa), or capuchin (Scotland) refers to a variety of the Cucumis melo species in the Cucurbitaceae family. Damion Dooley cantaloup muskmelon cantaloupe fruit food product A sauce for a salad. http://en.wikipedia.org/wiki/Salad_dressing#Dressings salad dressing shellfish food product A fermentation process in which either carbohydrates, proteins or fats are modified through microbial, enzymatic and/or other biological process. Damion Dooley food fermentation Fermented meat product is any product made primarily of meat subjected to a fermentation process. Damion Dooley fermented meat product Fermented vegetable http://orcid.org/0000-0002-1816-4260 tuaw jaew Food trimmings are the parts removed from the culinary trimming of unwanted or inedible parts (i.e. sinews, skin, fat etc.) from meat, fish poultry or vegetables. Trimmings are used for making stocks, soups and sauces. Gregory Harhay http://en.foodlexicon.org/p0000380.php trim trimmings food trimming albacore food product An alcoholic drink (or alcoholic beverage) is a drink that contains ethanol, a type of alcohol produced by fermentation of grains, fruits, or other sources of sugar. Damion Dooley https://en.m.wikipedia.org/wiki/Alcoholic_drink SUBSET_SIREN:F10770 alcoholic beverage almond food product animal based refined or partially-refined food product animal product sandwich animal product sausage apple condiment apple food product apple preserve or jam food product A food product deriving from one or more apricots. apricot food product apricot preserve or jam food product A food product deriving from one or more avocados. avocado food product bakery food product A plant fruit food product derived from a banana tree (genus Musa). banana food product A bean vegetable food product is a human or animal food product - such as a snap, shell or dry bean product - derived from the fruit pod, seed, or leaf of one of several genera of the flowering plant family Fabaceae. Note, this was previously labelled "Bean (vegetable) food product". We have been listing both dry and freshly harvested moist beans here, so have broadened the name scope. Damion Dooley bean food product http://purl.obolibrary.org/obo/FOODON_00002428 http://www.fao.org/es/faodef/fdef04e.htm#4.02 https://oconto.extension.wisc.edu/files/2011/02/The-Importance-of-Dry-Beans-in-Your-Diet.pdf beet food product berry food product blueberry food product blueberry preserve or jam food product bluefish food product broccoli food product brussels sprout food product butter product analog cabbage juice food product A cabbage vegetable food product is a food product derived from the head or leaf portion of a cabbage plant. Damion Dooley 2019-06-27T13:30:10Z https://upload.wikimedia.org/wikipedia/commons/thumb/6/6f/Cabbage_and_cross_section_on_white.jpg/640px-Cabbage_and_cross_section_on_white.jpg cabbage head food product carrot juice food product carrot food product cashew nut food product cattle cured meat food product cattle sandwich A cattle sausage food product is derived from cattle meat cattle sausage food product A food product that derives from a cauliflower plant. cauliflower food product A cereal is any grass cultivated for the edible components of its grain composed of the endosperm, germ, and bran Damion Dooley SUBSET_SIREN:F11705 cereal product subset_siren cereal food product cheese product analog A food product which normally exists as an ingredient to another food product, rather than eaten on its own, and is more complex than a chemical food component. food product component chocolate candy food product chocolate product analog citrus preserve or jam food product coconut beverage cod food product collard food product common bean food product common oat cereal food product cookie food product vegetable corn food product cow milk based food product cow milk butter food product cow milk cream food product crustacean food product dairy dessert food product SUBSET_SIREN:F1442 dairy product analog Damion Dooley Damion Dooley's note: This category was created to organize SIREN inspired food products. It will probably get merged with the upper level 'dietary supplement' food product type items. dietary or therapeutic formulation food product dill dill food product doughnut food product durum wheat product catgeory Damion Dooley egg substitute egg product analog A food product deriving from one or more eggplants. eggplant food product fermented cereal beverage fish refined food product food flavoring or seasoning product linseed food product flaxseed food product flax vegetable food product food dressing product stuffing food filling product food product analog This is a working folder that holds LanguaL SIREN database product types that need to be reviewed for placement within the food product hierarchy. Damion Dooley food product type (to be processed) food supplement food product frozen dairy dessert frozen dairy food product frozen yogurt food product fruit based alcoholic beverage fruit jelly food product ginger ginger food product ginseng plant food product grain based alcoholic beverage grain based bakery food product grapefruit food product gravy or sauce green bean food product green bell pepper food product haddock food product hard wheat food product hemp food product hot pepper spice food product red pepper hot pepper food product human milk based food product A food product made from a kale plant. kale food product Lamb meat food product is a meat product taken from a lamb, a sheep less than a year old. Damion Dooley lamb meat food product lentil vegetable food product A lima bean vegetable food product is any food product derived primarily from lima beans. Damion Dooley lima bean food product lobster food product macaroni or noodle food product A food product made from margarine. margarine food product meat product analog melon food product milk based gravy or sauce food product milk based product analog milk beverage analog mollusk food product mollusc food product mustard food product nonalcoholic beverage olive fat or oil refined food product onion flavouring food product onion food product palm vegetable food product pancake or waffle food product peach butter food product A food product deriving from one or more peaches. peach food product A food product having peanuts as an ingredient. Damion Dooley http://langual.org 2019-06-19T22:56:38Z SUBSET_SIREN:F1350 subset_siren SIREN DB annotation: * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) peanut food product pear food product A food product deriving from one or more sweet or hot peppers. pepper vegetable food product pie food product plant based bakery food product plant-based candy plant based gravy or sauce food product plant based meat product analog plant based refined or partially-refined food product An edible plant fat or oil product with characteristics that consumers desire such as bland flavour and odour, clear appearance, light colour, stability to oxidation and suitability for frying, and which is the result of a refining process that removes free fatty acids. Damion Dooley plant fat or oil refined food product plant floret vegetable food product A plant fruit food product which is labeled (in common language or by regulation) as a vegetable food product. plant fruit as vegetable food product plant head vegetable food product plant leaf vegetable food product plant product dressing food product by consumer group A food product harvested from underground plant parts. plant root vegetable food product plant seed based bakery food product plant seed vegetable food product plant stem or spear vegetable food product plant sweetener Damion Dooley preserved food (preserved) A food product deriving from one or more plums. plum fruit food product A prepared hen egg product is a product predominantly made of hen egg that has been cooked and may only require defrosting or reheating for consumption. Damion Dooley prepared hen egg product raspberry preserve or jam raspberry food product red bell pepper food product refined or partially-refined food product rice based alcoholic beverage salmon food product A sandwich food product is a food product used to create a sandwich. This includes bread as a container, and sandwich ingredients and spreads. Damion Dooley sandwich food product scallop food product sheep meat food product shrimp food product soft drink food product soybean based meat product analog soybean seed (field) food product http://purl.obolibrary.org/obo/FOODON_00002266 A soybean food product is a product derived from the soybean plant. Damion Dooley soy product soybean food product http://purl.obolibrary.org/obo/FOODON_00002265 A food product made from spinach. spinach food product A food product deriving from one or more squashes. squash food product steeped beverage product stone fruit food product strawberry food product strawberry preserve or jam sugar based cacao food product sugar beet sweetener food product sugar beet food product sweet potato food product http://www.langual.org/langual_thesaurus.asp?termid=H0202 sweetener food product pork cured meat food product swine sausage swordfish food product tomato based gravy or sauce food product tomato juice food product tomato substance tuna food product uncured cow milk cheese food product vegetable based gravy or sauce food product vitamin and mineral food supplement food product vitamin as food supplement food product A food product derived from one or more walnuts. walnut food product water based soft drink food product A water food product is a food product derived from H20 (water) in its liquid form. https://en.wikipedia.org/wiki/Water SUBSET_SIREN:F10414 water subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) water food product watermelon food product wheat based bakery food product wheat based pastry food product wheat bread food product wheat cereal food product wheat cracker food product wheat based snack food product yam food product A meal type is the name of an eating occasion that may have location, food type, or other customary contextual features. (Damion's 1st draft definition) Damion Dooley food product by meal type A food product consisting of food material derived primarily from a single organism. Damion Dooley food product by organism A food product traditionally consumed in the morning as the first meal of the day. Damion Dooley breakfast food Any substance that can be consumed by an organism to satisfy nutritional or other health needs, or to provide a social or organoleptic food experience food foodstuff nourishment sustenance This class is the top of FOODON's main food product hierarchy which is described in the https://www.foodon.org website, and can be searched in lookup services like https://www.ebi.ac.uk/ols/ food material A material entity having a thickness of 0.3 to less than 1.5 cm Damion Dooley This is a component of a LanguaL physical state, shape or form term. thickness of 0.3 cm to less than 1.5 cm A material entity having a thickness of 1.5 to less than 7.0 cm Damion Dooley This is a component of a LanguaL physical state, shape or form term. thickness of 1.5 cm to less than 7.0 cm Damion Dooley Note that this class doesn't commit to whether or not apple has been peeled. apple (raw, sliced) A zucchini food product is a food product deriving from either golden or green zucchini plant cultivars. Damion Dooley zucchini food product multi-component honey product requires discussion A process involving the physical transformation of a food source or food product into some derived organic material or food product Damion Dooley food transformation process Familiar examples of invertebrates include arthropods (insects, arachnids, crustaceans, and myriapods), mollusks (chitons, snails, bivalves, squids, and octopuses), annelids (earthworms and leeches), and cnidarians (hydras, jellyfishes, sea anemones, and corals).[wikipedia] Invertebrates are animals that neither possess nor develop a vertebral column (commonly known as a backbone or spine), derived from the notochord. This includes all animals apart from the subphylum Vertebrata. Damion Dooley https://en.wikipedia.org/wiki/Invertebrate animal invertebrate animal Raw apple is apple that has not been subject to cooking or other preservation processes other than by cold storage. apple (raw) A class which contains food product categories qualified by a quality such as granularity or temperature, which is useful for tasks like food inspection where little prior knowledge of how the food came to be is available. Some terms like "food (frozen)" are both a quality descriptor and the output of a process. Damion Dooley food product by quality Sliced bread is an example of sliced food. Solid food that is divided into uniformly thin pieces. Damion Dooley http://langual.org/langual_thesaurus.asp?termid=E0137 sliced food food (sliced) baked baked food product food (baked) lobster (whole) lobster (whole or parts) A physical object quality which can describe an attribute of a food item or related to a food product. http://orcid.org/0000-0001-8008-8249 food object quality A pome fruit of an apple tree (Malus domestica). http://orcid.org/0000-0002-8844-9165 apple A whole apple may include a stem. apple (whole) https://www-atlasobscura-com.cdn.ampproject.org/c/s/www.atlasobscura.com/articles/heritage-appalachian-apples.amp fruit (sliced) apple (sliced) peach (whole or parts) apricot (whole or parts) pear (whole or parts) carrot root (whole or parts) A food product made from a chard plant cultivar. Damion Dooley chard food product A food product consisting of food material derived from ingredients sourced from multiple organisms. Damion Dooley 2019-01-23T22:40:32Z multi-ingredient The definition of this is being discussed in issue: https://github.com/FoodOntology/foodon/issues/57 Namely, how to characterize the threshold of ingredients that make for multi-component classification? Salt, pepper, spices wouldn't normally make a food multi-component? multi-component food product Ham is pork from a leg cut that has been preserved by wet or dry curing, with or without smoking. As a processed meat, the term "ham" includes both whole cuts of meat and ones that have been mechanically formed. Damion Dooley https://en.wikipedia.org/wiki/Ham 2019-01-24T05:39:09Z ham ham food product Dairy cattle are a type of cattle bred for the ability to produce large quantities of milk, from which dairy products are made. This class covers both male and female members of a dairy breed. Damion Dooley https://en.wikipedia.org/wiki/Dairy_cattle 2019-01-26T22:49:27Z dairy cattle https://en.wikipedia.org/wiki/List_of_dairy_cattle_breeds Taurine cattle (Bos taurus taurus), also called European cattle, are a subspecies of domesticated cattle originating in the Near East. Both taurine cattle and indicine cattle (zebus) are descended from the aurochs. Taurine cattle were originally considered a distinct species, but are now typically grouped with zebus and aurochs into one species, Bos taurus. Most modern breeds of cattle are taurine cattle. Damion Dooley https://en.wikipedia.org/wiki/Taurine_cattle 2019-01-28T02:41:04Z http://www.langual.org/langual_thesaurus.asp?termid=B5186 taurine cattle Damion Dooley 2019-01-28T05:15:37Z navel orange navel orange (whole, raw) Carrot cake is a cake that contains carrots mixed into the batter. Damion Dooley https://en.wikipedia.org/wiki/Carrot_cake 2019-02-05T23:44:00Z carrot cake A chocolate brownie (commonly referred to as simply brownie) is a square, baked, chocolate dessert. Damion Dooley https://en.wikipedia.org/wiki/Chocolate_brownie 2019-04-13T17:38:55Z brownie chocolate brownie An aquatic invertebrate may live entirely beneath the water, or may live upon its surface or on the plants surrounding it. Some breathe air, others breathe water. To move, they may walk, swim, float, skate, fly or glide on their bellies—or they may not move much at all. Because snails are members of gastropod, a subclass of molluscs, ... leading to aquatic invertebrates, we can't make aquatic invertebrates disjoint with terrestrial invertebrates. Damion Dooley https://nature.mdc.mo.gov/discover-nature/general-species-information/aquatic-invertebrate-facts 2019-04-29T19:23:38Z aquatic invertebrate Damion Dooley 2019-05-21T22:37:06Z Aves avian bird avian animal Damion Dooley 2019-05-23T22:48:30Z filled stuffed food (filled) A food product organized by the process which it results from. Damion Dooley 2019-05-23T23:02:07Z food product by process Damion Dooley 2019-05-25T06:38:12Z pasteurized food (pasteurized) Damion Dooley 2019-06-14T04:23:35Z pork food product A lipid food product is a food product made primarily of plant or animal fat or oil Damion Dooley 2019-06-11T09:18:41Z fats and oils oils and fats lipid food product Quick bread is any bread leavened with leavening agents other than yeast or eggs. Damion Dooley https://en.wikipedia.org/wiki/Quick_bread 2019-06-14T15:10:59Z https://upload.wikimedia.org/wikipedia/commons/thumb/f/f3/Banana_bread_078.jpg/319px-Banana_bread_078.jpg quick bread Mustard greens are leaves from a mustard plant Damion Dooley 2019-06-27T08:09:44Z mustard greens A tropical fruit food product is any fruit product derived from a tropical or subtropical fruit producing plant. Damion Dooley 2019-06-27T14:32:20Z tropical fruit tropical fruit food product https://en.wikipedia.org/wiki/List_of_culinary_fruits#Tropical_and_tropical-like_fruit A cracker is a flat, dry baked food typically made with flour. In UK English, crackers are sometimes called water biscuits, savoury biscuits or biscuits. Damion Dooley https://en.wikipedia.org/wiki/Cracker_(food) 2019-06-27T23:36:40Z savoury biscuit water biscuit cracker Damion Dooley 2019-06-28T00:25:22Z ginger ginger root Kielbasa (from Polish kiełbasa)[a] is any type of meat sausage from Poland, and a staple of Polish cuisine. Damion Dooley https://en.wikipedia.org/wiki/Kielbasa 2019-06-28T06:46:05Z polish sausage Kielbasa Pork sausage is sausage made with pork meat. Damion Dooley 2019-06-28T06:49:12Z pork sausage A hamburger (short: burger) is a sandwich consisting of one or more cooked patties of ground meat, usually beef, placed inside a sliced bread roll or bun. The patty may be pan fried, grilled, or flame broiled. Damion Dooley https://en.wikipedia.org/wiki/Hamburger 2019-06-28T07:39:11Z burger hamburger beef hamburger (dish) A roll is a small, often round loaf of bread served as a meal accompaniment (eaten plain or with butter). A bun is a small, sometimes sweet, bread, or bread roll. Damion Dooley's note: Is bread roll semantically different from bread bun? Damion Dooley https://en.wikipedia.org/wiki/Bread_roll 2019-06-28T18:47:36Z bread roll bun roll roll or bun https://en.wikipedia.org/wiki/List_of_buns A seed of a bean plant from one of several genera of the flowering plant family (Fabaceae). Damion Dooley's note. This could be enhanced to explicitly state the anatomical parts of a seed - seed coat, cotyledons, embryo etc. Currently the Plant Ontology is not explicit about this yet. Damion Dooley https://orcid.org/0000-0001-5275-8866 2020-10-14T07:28:59 bean bean (whole) Cooked bean material is the bean material output of a cooking process applied to dry, rehydrated, or raw (fresh) beans. Damion Dooley 2019-07-08T21:47:07Z bean (cooked) A bean pod is a fruit pod from a bean plant Damion Dooley 2019-07-08T23:32:17Z bean pod A green bean substance is one or more raw whole green beans that have been subjected to further processing. Damion Dooley 2019-07-09T00:06:20Z green bean substance Damion Dooley 2019-07-09T18:36:16Z lima bean substance A potato substance is a whole potato transformed into some derivative food material. It doesn't include potato food products that are ready to consume or simply require thawing or reheating. Damion Dooley 2019-07-10T15:56:14Z potato substance Damion Dooley 2019-07-10T15:59:49Z potato prepared food Damion Dooley 2019-07-10T17:35:07Z SUBSET_SIREN:F4839 turkey egg subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'egg' (http://purl.obolibrary.org/obo/FOODON_03420194) turkey egg (whole, shell on, raw) Extra virgin olive oil is a virgin olive oil which has a free acidity, expressed as oleic acid, of not more than 0.8 grams per 100 grams. Damion Dooley https://static.oliveoiltimes.com/library/ioc-olive-oil-standard.pdf 2019-07-10T22:48:47Z extra virgin olive oil olive oil (extra-virgin) A bean pod which is still tender rather than one that has reached full maturity. Damion Dooley 2019-07-11T19:31:58Z edible bean pod Damion Dooley 2019-07-12T17:18:31Z pea food product Damion Dooley 2019-07-16T03:20:44Z 1% milk lowfat cow milk (1% fat) Damion Dooley 2019-07-16T15:09:09Z lima bean (whole, raw) The Williams' bon chrétien pear, commonly called the Williams pear or the Bartlett pear in the United States and Canada, is the most commonly grown variety of pear in most countries outside Asia. 2019-08-06T22:13:35Z Bartlett pear plant Williams pear plant Williams bon chrétien pear plant The most commonly grown variety of pear fruit in most countries outside Asia. 2019-08-06T22:21:46Z Bartlett pear Williams bon chrétien pear Williams pear (whole, raw) Public domain Ulysses Prentiss Hedrick Beef sausage is sausage primarily made of beef. 2019-08-13T04:30:42Z beef sausage A tuna steak is a cut of fish from a tuna. 2019-08-12T23:49:13Z tuna cutlet tuna steak The poblano (Capsicum annuum) is a mild chili pepper originating in the state of Puebla, Mexico. Dried, it is called ancho or chile ancho, from the Spanish word ancho ("wide"). Emma Griffiths 2019-08-13T04:55:19Z ancho ancho pepper chile ancho poblano ancho pepper A multicellular eukaryotic heterotrophic organism within the kingdom Animalia. 2019-08-14T18:02:36Z animal A bell pepper is a fruits in different colours - including red, yellow, orange, green, white, and purple - from a bell pepper plant cultivar. Bell peppers are sometimes grouped with less pungent pepper varieties as "sweet peppers". 2019-08-22T18:01:49Z pepper bell pepper food product Kham Tran - www.khamtran.com Golden zucchini is a modern hybrid summer squash (Cucurbita pepo). 2019-08-22T19:52:25Z gold gush zucchini golden delight zucchini goldfinger zucchini yellow zucchini golden zucchini plant A golden or yellow zucchini is a summer squash harvested from the golden zucchini cultivar. 2019-08-22T20:36:52Z golden zucchini yellow zucchini golden zucchini squash (whole) A drupelet berry food product is a product made from aggregated drupelet "berries" such as Raspberries and Blackberries. 2019-08-23T02:35:59Z druplet berry drupelet berry food product 2019-08-23T02:53:47Z bramble berry food product A pome fruit of a pear tree. https://orcid.org/0000-0001-5275-8866 2020-10-14T02:25:28 pear pear (whole) Pita is a family of yeast-leavened round flatbreads baked from wheat flour, common in the Mediterranean, Middle East, and neighboring areas. 2019-08-24T18:01:31Z pita pitta pita bread Gai lan is the leaf and stem component of the gai lan plant Damion Dooley http://langual.org 2019-08-25T16:12:36Z chinese broccoli chinese kale jie lan kai-lan gai lan A caryopsis fruit of a common wheat plant (Triticum aestivum). http://orcid.org/0000-0002-8844-9165 https://en.wikipedia.org/wiki/Common_wheat 2019-08-25T16:34:00 bread wheat bread wheat kernel About 95% of wheat produced worldwide is common wheat. common wheat kernel Almond milk is a plant milk manufactured from almonds with a creamy texture and nutty flavor, 2019-09-09T22:10:31Z almond milk A poultry sandwich contains chicken, turkey or other poultry meat. Damion Dooley 2019-08-26T18:45:16Z poultry sandwich A burger patty that does not contain meat or any such kind of meat. These burgers may be made from ingredients like beans, especially soybeans and tofu, nuts, grains, seeds or fungi such as mushrooms or mycoprotein. http://langual.org 2019-09-11T05:57:14Z veggie burger vegetarian burger A food product not including meat and animal tissue products (such as gelatin or animal-derived rennet). https://en.wikipedia.org/wiki/Vegetarian_cuisine 2019-09-11T21:12:43Z vegetarian food vegetarian food product 2019-10-12T09:36:28Z peanut (whole or parts) A seed of a peanut plant (Arachis hypogaea). http://orcid.org/0000-0002-8844-9165 peanut peanut (whole) A traditional Japanese seasoning produced by fermenting soybeans with salt and kōji (the fungus Aspergillus oryzae) and sometimes rice, barley, seaweed or other ingredients. 2019-10-12T20:08:26Z miso 2019-11-04T15:30:52Z skim milk (liquid) A fisheries term for several species of demersal fish with fins, particularly Atlantic cod (Gadus morhua), whiting (Merluccius bilinearis), haddock (Melanogrammus aeglefinus), hake (Urophycis), pollock (Pollachius), and others. 2019-11-10T06:26:43Z white fish whitefish (fisheries term) An adult female chicken. 2019-11-15T20:12:48Z hen 2019-11-15T23:19:38Z multi-component meat product A sausage made from turkey meat 2019-11-16T06:20:41Z turkey sausage 2020-01-08T00:20:27Z echinoderm food product A hesperidium fruit of a citrus plant (Citrus). https://orcid.org/0000-0001-5275-8866 2020-10-20T06:54:39 citrus fruit citrus fruit (whole) A genus of plants in the mustard family (Brassicaceae). The members of the genus are informally known as cruciferous vegetables, cabbages, or mustard plants. bok choy vegetable food product bomdong vegetable food product broccolini vegetable food product chinese cabbage vegetable food product choy sum vegetable food product collard greens vegetable food product gai lan vegetable food product komatsuna vegetable food product mizuna vegetable food product rutabaga vegetable food product savoy cabbage vegetable food product tatsoi vegetable food product cole crop vegetable food product cruciferous vegetable food product brassica food product A cultivar of dry onion, that has a pure white papery skin and a sweet, mild white flesh. 2020-06-06T01:05:02Z white onion (whole, raw) Food contact materials are materials that are intended to be in contact with food. These can be things that are quite obvious like a glass or a can for soft drinks as well as machinery in a food factory or a coffee machine. 2020-07-31T17:07:09Z food contact material 2020-09-06T15:59:54Z multi-component wheat food product A seed of a ginkgo plant (Ginkgo biloba) https://en.wikipedia.org/wiki/Ginkgo_biloba 2020-09-06T20:07:44 gingko nut ginkgo nut ginkgo nut (whole) A seed of a common bean plant (Phaseolus vulgaris). http://orcid.org/0000-0002-8844-9165 2020-09-08T18:42:03 common bean common bean (whole) A raceme inflorescence of a broccoli plant(Brassica oleracea var. italica). http://orcid.org/0000-0002-8844-9165 2020-09-09T07:15:35 broccoli broccoli floret (whole) A rosette of a cabbage plant (Brassica oleracea var. capitata). http://orcid.org/0000-0002-8844-9165 2020-09-09T07:20:47 cabbage cabbage head A primary root of a carrot plant (Daucus carota). http://orcid.org/0000-0002-8844-9165 2020-09-09T07:27:10 carrot carrot root (whole) A raceme inflorescence of a cauliflower plant (Brassica oleracea var. botrytis). http://orcid.org/0000-0002-8844-9165 2020-09-09T07:39:07 cauliflower cauliflower floret (whole) A primary root of a sugar beet plant (Beta vulgaris subsp. vulgaris). http://orcid.org/0000-0002-8844-9165 2020-09-09T07:45:46 sugar beet sugar beet (whole) A caryopsis fruit of a durum wheat plant (Triticum turgidum subsp. durum). http://orcid.org/0000-0002-8844-9165 2020-09-09T14:22:09 durum wheat durum wheat seed durum wheat kernel A berry fruit of a grape plant. http://orcid.org/0000-0002-8844-9165 2020-09-09T14:38:33 de-stemmed grape grape grape (whole) A caryopsis fruit of a maize plant (Zea mays subsp. mays). http://orcid.org/0000-0002-8844-9165 2020-09-09T22:30:15 corn kernel maize kernel A caryopsis fruit of an oat plant (Avena sativa). http://orcid.org/0000-0002-8844-9165 2020-09-09T22:33:32 oats whole oats An aggregate fruit of a raspberry plant. http://orcid.org/0000-0002-8844-9165 2020-09-10T03:24:33 raspberry raspberry (whole) A caryopsis fruit of a rice plant (Oryza sativa). http://orcid.org/0000-0002-8844-9165 2020-09-10T03:37:39 whole grain rice 2020-09-10T04:03:30Z brown rice An aggregate fruit of strawberry plant (Fragaria x ananassa). http://orcid.org/0000-0002-8844-9165 2020-09-10T04:57:07 strawberry strawberry (whole) A tuberous root tuber of a sweet potato plant (Ipomoea batatas). http://orcid.org/0000-0002-8844-9165 2020-09-10T05:12:34 2020-09-10T05:12:34Z sweet potato sweet potato (whole) A shoot axis tuber of a yam plant (Dioscorea). http://orcid.org/0000-0002-8844-9165 2020-09-10T05:45:46 2020-09-10T05:45:46Z yam yam (whole) A drupe fruit of a coconut palm tree (Cocos nucifera). http://orcid.org/0000-0002-8844-9165 2020-09-10T05:53:54 coconut coconut (whole) A food product which has been separated into pieces. 2020-10-12T07:07:16Z food (pieces) 2020-10-26T19:03:11Z salmon A drupe fruit of an apricot tree (Prunus armeniaca). https://orcid.org/0000-0001-5275-8866 2020-10-13T05:48:32 apricot apricot (whole) 2020-10-27T04:10:23Z berry drupelet berry A drupe fruit of a plum plant. https://orcid.org/0000-0001-5275-8866 2020-10-13T05:48:32 plum plum (whole) A ripened red colored berry fruit of a bell pepper plant cultivar. https://orcid.org/0000-0001-5275-8866 2020-10-14T12:37:01 bell pepper capsicum pepper sweet pepper sweet red bell pepper sweet red bell pepper (whole) A rosette leaf of a spinach plant (Spinacia oleracea) 2020-10-29T16:54:15Z spinach leaf spinach leaf (whole) A rosette of a spinach plant (Spinacia oleracea) https://orcid.org/0000-0001-5275-8866 2020-10-13T06:21:32 2020-10-29T16:55:09Z spinach spinach head A rosette leaf of a collard plant (Brassica oleracea var. viridis) https://orcid.org/0000-0001-5275-8866 2020-10-30T00:54:20Z 2020-11-11T11:02:45 collard leaf collard leaf (whole) A rosette leaf of a kale plant https://orcid.org/0000-0001-5275-8866 2020-11-11T11:02:45 kale leaf kale leaf (whole) A rosette of a collard plant (Brassica oleracea var. viridis) https://orcid.org/0000-0001-5275-8866 2020-11-11T11:02:45 collard collard head A rosette leaf of a cabbage plant (Brassica oleracea var. capitata) https://orcid.org/0000-0001-5275-8866 2020-11-11T11:02:45 cabbage leaf cabbage leaf (whole) 2020-11-10T05:35:16Z red onion (whole, raw) A bulb of a red onion plant cultivar 2020-11-10T05:35:57Z red onion (whole) A bulb of a yellow onion plant cultivar 2020-11-10T05:45:44Z yellow onion (whole) A bulb of a white onion plant cultivar 2020-11-10T05:49:20Z white onion (whole) A berry fruit of a pepper plant (Capsicum) https://orcid.org/0000-0001-5275-8866 https://www.britannica.com/plant/pepper-plant-Capsicum-genus 2020-10-14T02:39:11 pepper peppers pepper (whole) A juicy, rounded, brightly colored fruit without a stone or pit, though pips or seeds may be present. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Berry 2020-10-23T09:28:05 berry common berry berry (whole) A drupe fruit of an almond plant (Prunus dulcis). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Almond 2020-11-28T11:27:21 almond (whole) A rosette leaf of a chard plant (Beta vulgaris subsp. vulgaris). https://orcid.org/0000-0001-5275-8866 2020-11-11T11:02:45 chard leaf chard leaf (whole) A pepo fruit varietal of a squash plant (Cucurbita). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Cucurbita 2020-10-20T12:01:59 squash squash (whole) A berry fruit of a blueberry plant. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Blueberry 2020-10-19T03:43:49 blueberry blueberry (whole) A berry fruit in the Grossum cultivar group of a bell pepper plant. 2020-11-19T01:08:58Z bell pepper capsicum pepper sweet pepper bell pepper (whole) An immature green colored berry fruit of a bell pepper plant cultivar. https://orcid.org/0000-0001-5275-8866 2020-10-14T07:08:14 bell pepper capsicum pepper sweet green pepper sweet pepper sweet green bell pepper (whole) A mature yellow colored berry fruit of a bell pepper plant cultivar. 2020-11-19T01:24:18Z bell pepper capsicum pepper sweet pepper sweet yellow pepper sweet yellow bell pepper (whole) A hesperidium fruit of a grapefruit tree (Citrus x paradisi). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Hesperidium 2020-10-19T12:18:26 grapefruit grapefruit (whole) A fruit of a tropical or subtropical fruit producing plant. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/List_of_culinary_fruits#Tropical_fruits 2020-10-19T12:01:19 tropical fruit tropical fruit (whole) A pome fruit of a williams bon chrétien pear plant, cultivar of a common pear. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Williams_pear 2020-11-30T13:17:20 Bartlett pear Williams pear Williams' Bon Chrétien pear Williams pear (whole) A pome fruit of a common pear plant (Pyrus communis) https://en.wikipedia.org/wiki/Pyrus_communis 2020-12-16T21:03:04Z european pear common pear (whole) A pepo fruit of a cantaloupe plant (Cucumis melo var. cantalupo). https://orcid.org/0000-0001-5275-8866 2020-11-27T07:15:01 cantaloupe (whole) A fruit that develops from the merger of several ovaries that were separated in a single flower. 2020-12-17T03:02:14Z etaerio aggregate fruit A pepo fruit of a muskmelon plant (Cucumis melo ) https://en.wikipedia.org/wiki/Muskmelon 2021-02-10T22:30:53Z 2021-02-10T22:37:02 muskmelon (whole) A pepo fruit of a melon plant. https://en.wikipedia.org/wiki/Melon 2021-02-10T22:34:05 melon melon (whole) A berry fruit of an avocado plant (Persea americana) https://en.wikipedia.org/wiki/Avocado 2021-02-10T22:52:57 avocado avocado (whole) A nut fruit from a cashew tree (Anacardium occidentale) https://en.wikipedia.org/wiki/Cashew 2021-02-11T00:56:37Z cashew nut cashew nut (whole) A berry fruit of an eggplant (Solanum melongena) https://en.wikipedia.org/wiki/Eggplant 2021-02-11T01:05:15 aubergine brinjal egg plant eggplant eggplant (whole) A leaf of a bean plant. 2021-02-11T01:48:48 bean leaf bean leaf (whole) A rosette leaf of a swiss chard plant (Beta vulgaris subsp. vulgaris). 2021-02-11T01:50:09 swiss chard leaf swiss chard leaf (whole) A leaf of a beet plant. http://orcid.org/0000-0002-8844-9165 https://en.wikipedia.org/wiki/Beetroot 2021-02-11T01:59:10 beet leaf beetroot leaf beet leaf (whole) A rosette leaf of a cauliflower plant (Brassica oleracea var. botrytis) 2021-02-11T02:00:16 cauliflower leaf cauliflower leaf (whole) A leaf of a grape plant. 2021-02-11T02:02:32 grape leaf grape leaf (whole) A leaf of a vegetable-producing plant. 2021-02-11T02:40:22 vegetable leaf (whole) A pepo fruit of a watermelon plant (Citrullus lanatus subsp. vulgaris). https://en.wikipedia.org/wiki/Watermelon 2021-02-11T03:27:17 watermelon watermelon (whole) A seed of a flax plant (Linum usitatissimum). https://en.wikipedia.org/wiki/Flax 2021-02-11T03:35:50 flaxseed linseed flaxseed (whole) A root of a ginger plant (Zingiber officinale) https://en.wikipedia.org/wiki/Ginger 2021-02-11T17:33:19 elephant ginger elephant ginger root ginger ginger root ginger root (whole) A root of a ginseng plant https://en.wikipedia.org/wiki/Ginseng 2021-02-11T17:39:12 ginseng ginseng root ginseng root (whole) Seed bran of an oat plant (Avena sativa) 2021-02-11T23:24:13 oat bran 2021-02-11T23:53:40Z milled white rice white rice white rice (whole) A seed of a dill plant (Anethum graveolens). https://en.wikipedia.org/wiki/Dill 2021-02-12T17:29:33 dill seed dill seed (whole) An anatomical part of a plant that is consumed by humans or other animals as food. https://en.wikipedia.org/wiki/Vegetable 2021-02-12T18:49:32 vegetable (whole) Cashew milk is a manufactured, nondairy beverage made from water-based cashew extract for flavouring and aroma. https://en.wikipedia.org/wiki/Plant_milk#Nut_milk 2021-05-21T10:30:10Z cashew mylk cashew milk A root of a black cohosh plant https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Actaea_racemosa 2021-07-22T17:39:12 2021-08-18T20:11:32Z Actaea racemosa root black cohost root Actaea racemosa root (whole) A leaf of a ginkgo plant (Ginkgo biloba) https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Ginkgo_biloba 2021-07-22T17:39:12 2021-08-18T20:12:43Z ginkgo biloba leaf ginkgo leaf Ginkgo biloba leaf (whole) A seed of a milk thistle plant (Silybum marianum). https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Silybum_marianum 2021-07-22T17:39:12 2021-08-18T20:13:58Z milk thistle seed Silybum marianum seed (whole) A flower bud of a St. John's wort plant (Hypericum perforatum). https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Hypericum_perforatum 2021-07-22T17:39:12 2021-08-18T20:15:19Z St. John's wort flower Hypericum perforatum flower (whole) The spinach material output of a cooking process. 2021-08-31T02:10:31Z spinach (cooked) A bread food product made substantially from whole grains. 2021-09-01T05:30:11Z whole grain bread A whole grain bread that contains whole oats (Avena sativa). 2021-09-01T05:37:09Z whole oat bread A soft drink that is sweetened by a nonnutritive sweetener and contains caffeine. https://orcid.org/0000-0002-7463-6306 2021-09-01T05:52:08Z caffeinated diet pop caffeinated diet soda diet soft drink (caffeinated) A soft drink that contains caffeine. 2021-09-01T05:57:27Z caffeinated pop caffeinated soda soft drink (caffeinated) A liquid tea beverage that does not contain caffeine. 2021-09-01T06:05:45Z tea (liquid, decafeinated) 2021-09-01T06:10:18Z tea (liquid, caffeinated) A liquid coffee beverage that is brewed from roasted, decaffeinated coffee beans. 2021-09-01T07:54:36Z coffee (liquid, decafeinated) A prepared coffee beverage in which the majority of the beverage volume is composed of mammalian milk or a milk component. 2021-09-01T07:57:54Z dairy-based coffee drink Cow milk cheese which is a result of fat removal. 2021-09-01T08:07:42Z cow milk cheese (nonfat) A pepo fruit of a winter squash plant harvested in the fall. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Winter_squash 2021-07-22T17:39:12 winter squash winter squash (whole) A sweetener (table-top)' which contains sucralose. 2021-09-01T08:24:35Z Splenda sucralose-based sweetener A sweetener that includes the nonnutritive sweetener aspartame. 2021-09-01T08:25:51Z Equal NutraSweet aspartame-based sweetener A sweetener that includes the nonnutritive sweetener saccharin. 2021-09-01T08:26:52Z Sweet'N Low saccharin-based sweetener A seed from a cereal or pseudocereal plant which has a germ (embryo), endosperm, and bran (pericarp, seed coat, and aleurone) part. https://orcid.org/0000-0002-8844-9165 https://en.wikipedia.org/wiki/Whole_grain 2021-09-02T21:11:54Z whole grain From https://wholegrainscouncil.org/definition-whole-grain: "Whole grains or foods made from them contain all the essential parts and naturally-occurring nutrients of the entire grain seed in their original proportions. If the grain has been processed (e.g., cracked, crushed, rolled, extruded, and/or cooked), the food product should deliver the same rich balance of nutrients that are found in the original grain seed. [...] This definition means that 100% of the original kernel – all of the bran, germ, and endosperm - must be present to qualify as a whole grain. whole grain https://wholegrainscouncil.org/definition-whole-grain A food material class referenced by the concentration of some component 2021-12-22T03:49:07Z food material by component concentration A food material with an above average methylmercury concentration. 2021-12-22T03:55:01Z high mercury food material A food material with an above average fructose concentration. 2021-12-22T03:55:24Z high fructose food material A food material with an above average fibre concentration. 2021-12-22T03:55:39Z high fibre food material 2022-02-01T05:16:37Z salmon (whole, raw) A berry fruit from a banana tree (genus Musa). http://orcid.org/0000-0002-8844-9165 https://en.wikipedia.org/wiki/Banana 2022-02-01T07:59:35Z 2022-02-10T21:11:54Z banana (whole) A food product deriving from one or more animals. 2022-09-01T16:31:09Z animal food product Chickens, turkeys, quail, ducks, and geese are only called poultry if they aren't reared in the wild. A domesticated bird that is kept by humans for its eggs, meat or feathers. 2022-08-25T10:01:00Z poultry A leaf of a broccoli plant (Brassica oleracea var. italica). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Broccoli 2022-03-14T14:30:23Z broccoli leaf broccoli leaf (whole) A leaf of a sweet potato plant (Ipomoea batatas). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Sweet_potato 2022-04-06T20:50:09Z sweet potato leaf (whole) A leaf of a ginger plant (Zingiber officinale). ginger leaf (whole) A whole almond or some substance made from a processed almond. almond almond (whole or parts) A whole ginger leaf or some substance made from a processed ginger leaf. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Ginger 2022-04-13T09:40:25Z ginger leaf ginger leaf (whole or parts) A whole ginger root or some substance made from a processed ginger root. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Ginger ginger ginger root ginger root (whole or parts) A whole tomato or some substance made from a processed tomato. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Tomato 2022-04-13T12:27:40Z tomato tomato (whole or parts) A whole cantaloupe or some substance made from a processed cantaloupe. https://orcid.org/0000-0001-5275-8866 cantaloupe rockmelon spanspek sweet melon cantaloupe (whole or parts) A whole soybean or some substance made from a processed soybean. https://orcid.org/0000-0001-5275-8866 soybean soybean (whole or parts) A whole squash or some substance made from a processed squash. squash (whole or parts) http://langual.org SUBSET_SIREN:F1005 spaghetti subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) spaghetti macaroni http://langual.org SUBSET_SIREN:F1034 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'honey' (http://purl.obolibrary.org/obo/UBERON_0036016) citrus honey http://langual.org SUBSET_SIREN:F1036 coffee subset_siren SIREN DB annotation: * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) * formed as a result of 'roasting seed process' (http://purl.obolibrary.org/obo/FOODON_03460391) coffee (liquid drink) http://langual.org SUBSET_SIREN:F1040 watermelon subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) watermelon (whole, raw) http://langual.org SUBSET_SIREN:F1051 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'sugar' (http://purl.obolibrary.org/obo/FOODON_03420108) candy http://langual.org SUBSET_SIREN:F1054 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness bigger than 7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430146) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158) * has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221) bread loaf containing wheat http://langual.org SUBSET_SIREN:F1055 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) white bread http://langual.org SUBSET_SIREN:F1073 subset_siren SIREN DB annotation: * has quality 'crystal' (http://purl.obolibrary.org/obo/FOODON_03430143) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'sugar' (http://purl.obolibrary.org/obo/FOODON_03420108) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) sugar (granulated) Whole wheat bread or wholemeal bread is a type of bread made using flour that is partly or entirely milled from whole or almost-whole wheat grains. https://en.wikipedia.org/wiki/Whole_wheat_bread http://langual.org SUBSET_SIREN:F1119 wholemeal bread subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) whole wheat bread http://langual.org SUBSET_SIREN:F1123 grape subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) grape (whole, raw) http://langual.org SUBSET_SIREN:F1159 subset_siren SIREN DB annotation: DEPRECATED DUE TO DUPLICATION: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'whole animal or most parts used' (http://purl.obolibrary.org/obo/FOODON_03420173) lobster (raw) http://langual.org SUBSET_SIREN:F1217 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) tomato sauce http://langual.org SUBSET_SIREN:F1297 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) red meat (raw) A seed of a pea plant (Pisum sativum). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Pea http://langual.org 2020-10-20T01:29:50 SUBSET_SIREN:F1300 pea subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) pea (whole) http://langual.org SUBSET_SIREN:F1326 cabbage subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'head (plant)' (http://purl.obolibrary.org/obo/FOODON_03420151) cabbage head (raw) http://langual.org SUBSET_SIREN:F1337 citrus fruit subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) citrus fruit (whole, raw) A pod of a peanut plant. Damion Dooley http://langual.org SUBSET_SIREN:F1353 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed in shell or hull' (http://purl.obolibrary.org/obo/FOODON_03420227) peanut pod http://langual.org SUBSET_SIREN:F1357 cashew cashew nut subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) cashew nut (whole, raw) A drupe fruit from a walnut tree (Juglans). https://en.wikipedia.org/wiki/Walnut http://langual.org SUBSET_SIREN:F1364 walnut subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) walnut (whole) http://langual.org SUBSET_SIREN:F1403 fresh bean subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) bean (whole, raw) A seed of a soyabean plant (Glycine max). http://orcid.org/0000-0002-8844-9165 http://langual.org SUBSET_SIREN:F1415 soy bean soya bean soybean subset_siren soybean (whole) http://langual.org SUBSET_SIREN:F1440 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) * formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200) * has substance added 'spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460151) * has substance added http://purl.obolibrary.org/obo/FOODON_03460185 mayonnaise http://langual.org SUBSET_SIREN:F1444 subset_siren SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) vegetable juice food product http://langual.org SUBSET_SIREN:F1449 potato subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) potato (whole, raw) A berry fruit of a tomato plant (Solanum lycopersicum). http://orcid.org/0000-0002-8844-9165 http://langual.org SUBSET_SIREN:F1453 tomato subset_siren tomato (whole) http://langual.org SUBSET_SIREN:F1454 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with small particles' (http://purl.obolibrary.org/obo/FOODON_03430114) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) tomato juice A bean substance is a substance made by processing seed from a bean plant. Damion Dooley's note: This class is intended to provide the most generic reference to bean, as it does not imply any more information about the state of a bean - whether it is whole or in fragments, or fragments of several beans, whether it is dry, raw, or cooked etc. Damion Dooley https://en.wikipedia.org/wiki/Bean http://langual.org SUBSET_SIREN:F1467 subset_siren SIREN DB annotation: * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) bean substance http://langual.org SUBSET_SIREN:F1477 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) coffee bean (whole or ground) http://langual.org SUBSET_SIREN:F1483 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) lowfat cow milk Skimmed milk (British English), or skim milk (American English), is made when all the milkfat is removed from whole milk. It tends to contain around 0.1% fat. Damion Dooley https://simple.wikipedia.org/wiki/Skimmed_milk http://langual.org SUBSET_SIREN:F1484 nonfat milk skim milk skimmed milk subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) skim milk food product http://langual.org SUBSET_SIREN:F1502 subset_siren SIREN DB annotation: * has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) yogurt (plain) http://langual.org SUBSET_SIREN:F1570 carrot carrot root subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) carrot root (whole, raw) http://langual.org SUBSET_SIREN:F1577 squash subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) squash (whole, raw) http://langual.org SUBSET_SIREN:F1579 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) mustard greens (raw) A plum is the fruit of a plum plant. http://langual.org SUBSET_SIREN:F1580 plum subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) plum (whole, raw) A cookie is a baked or cooked food that is small, flat and sweet. It usually contains flour, sugar and some type of oil or fat. It may include other ingredients such as raisins, oats, chocolate chips, nuts, etc. http://langual.org SUBSET_SIREN:F1585 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) * has substance added http://purl.obolibrary.org/obo/FOODON_03460186 cookie http://langual.org SUBSET_SIREN:F1605 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) cottage cheese A rice food product consisting of hulled rice kernels. http://langual.org SUBSET_SIREN:F1641 rice subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) rice kernel food product A spread used for flavoring, baking, and cooking that was first made in France in 1869. Damion Dooley http://langual.org SUBSET_SIREN:F1672 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) * has substance added 'vitamin a or carotenes added' (http://purl.obolibrary.org/obo/FOODON_03460213) margarine A whole raw apricot. https://orcid.org/0000-0002-8844-9165 http://langual.org 2022-02-18T00:10:43 SUBSET_SIREN:F1701 apricot subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) apricot (whole, raw) http://langual.org SUBSET_SIREN:F1702 grapefruit subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) grapefruit (whole, raw) http://langual.org SUBSET_SIREN:F1704 onion subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) onion (whole, raw) A whole raw apple is an apple harvested from an apple tree. It may include a stem. It has not been subject to cooking or preservation processes other than cold storage or waxing. Damion Dooley http://langual.org SUBSET_SIREN:F1710 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) apple (whole, raw) http://langual.org SUBSET_SIREN:F1713 broccoli subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'plant above surface, excluding fruit and seed' (http://purl.obolibrary.org/obo/FOODON_03420144) broccoli floret (whole, raw) http://langual.org SUBSET_SIREN:F1716 spinach subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) spinach leaf (whole, raw) http://langual.org SUBSET_SIREN:F1717 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) sweet potato (whole, raw) http://langual.org SUBSET_SIREN:F1719 peach subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) peach (whole, raw) http://langual.org SUBSET_SIREN:F1722 strawberry subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) strawberry (whole, raw) http://langual.org SUBSET_SIREN:F1724 pear subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) pear (whole, raw) http://langual.org SUBSET_SIREN:F1777 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'butter' (http://purl.obolibrary.org/obo/FOODON_00001023) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has consumer 'no salt added claim or use' (http://purl.obolibrary.org/obo/FOODON_03510078) butter (unsalted) http://langual.org SUBSET_SIREN:F1826 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) olive oil https://static.oliveoiltimes.com/library/ioc-olive-oil-standard.pdf http://langual.org SUBSET_SIREN:F1833 subset_siren SIREN DB annotation: * has quality 'sliced, thin, below 0.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430145) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) * formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173) * has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221) potato chip A biscuit in the United States and parts of Canada, is a variety of small baked goods with a firm browned crust and a soft interior. They are made with baking powder or baking soda as a chemical leavening agent rather than yeast. Damion Dooley http://langual.org SUBSET_SIREN:F1884 biscuit bisquit soft biscuit subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) biscuit (quick bread) http://langual.org 2019-08-26T14:29:56Z SUBSET_SIREN:F1886 SUBSET_SIREN:F5599 raw beef hamburger subset_siren SIREN DB annotation: * has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) ground beef (raw) http://langual.org SUBSET_SIREN:F1889 philadelphia cream cheese subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) cream cheese A sandwich is a food typically consisting of vegetables, sliced cheese or meat, placed on or between slices of bread, or more generally any dish wherein two or more pieces of bread serve as a container or wrapper for another food type. http://langual.org SUBSET_SIREN:F1906 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * formed as a result of 'food filling process' (http://purl.obolibrary.org/obo/FOODON_03460207) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) sandwich http://langual.org SUBSET_SIREN:F1924 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'fruit, peel present, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420139) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * has substance added 'spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460151) * has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158) apple (baked) http://langual.org SUBSET_SIREN:F1931 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added http://purl.obolibrary.org/obo/FOODON_03460186 * has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194) wheat roll or bun http://langual.org SUBSET_SIREN:F1938 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'vegetable fat or oil coated' (http://purl.obolibrary.org/obo/FOODON_03460334) * has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158) * has substance added http://purl.obolibrary.org/obo/FOODON_03460186 * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) * has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263) doughnut http://langual.org SUBSET_SIREN:F1959 subset_siren SIREN DB annotation: * has quality 'divided into pieces' (http://purl.obolibrary.org/obo/FOODON_03430152) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) * formed as a result of 'deep-frying' (http://purl.obolibrary.org/obo/FOODON_03450029) * formed as a result of 'fat or oil coated' (http://purl.obolibrary.org/obo/FOODON_03460233) potato (french-fried) A liquid prepared for consumption, or a product that can be combined with water or milk to make one. Damion Dooley http://langual.org 2019-09-12T00:00:00 beverage food product Fruit which has not been subjected to heat treatment, but which may have other mechanical processes such as slicing applied to it. http://langual.org SUBSET_SIREN:F2007 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167) fruit (raw) http://langual.org SUBSET_SIREN:F2008 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) vegetable (raw) A frankfurter is a thin parboiled sausage traditionally made of pork and beef in a casing of sheep's intestine, then given a low temperature smoking. http://langual.org SUBSET_SIREN:F2012 Frankfurter Würstel German wiener Saitenwurst Vienna sausage Wiener Wiener Würstchen Wienerle Wienerli Würstl frank frankfurter wurstl hot dog wiener subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'meat part of animal' (http://purl.obolibrary.org/obo/FOODON_03420103) * formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172) * formed as a result of 'curing or aging < 2 weeks' (http://purl.obolibrary.org/obo/FOODON_03460288) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) frankfurter http://langual.org SUBSET_SIREN:F2045 blueberry subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) blueberry (whole, raw) A seed of a lima bean plant (Phaseolus lunatus). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Lima_bean http://langual.org 2020-10-14T12:24:27 https://upload.wikimedia.org/wikipedia/commons/9/9b/Phaseoulus_lunatus.jpg SUBSET_SIREN:F2053 Madagascar bean butter bean butterbean double bean lima bean sieva bean subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) lima bean (whole) A small green seed of a baby lima bean plant. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Lima_bean http://langual.org 2022-04-11T12:03:42Z SUBSET_SIREN:F2061 baby lima baby lima bean subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) baby lima bean (whole) http://langual.org SUBSET_SIREN:F2065 subset_siren SIREN DB annotation: * has quality 'cut into short pieces' (http://purl.obolibrary.org/obo/FOODON_03430111) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'pod containing small, immature seed' (http://purl.obolibrary.org/obo/FOODON_03420169) green bean (cut, raw) http://langual.org milk SUBSET_SIREN:F2116 cow milk subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) cow milk (liquid) http://langual.org SUBSET_SIREN:F2196 baked potato subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) potato (whole, baked) http://langual.org SUBSET_SIREN:F2200 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) wheat bread http://langual.org SUBSET_SIREN:F2269 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * formed as a result of 'artificially carbonated' (http://purl.obolibrary.org/obo/FOODON_03460109) soda water http://langual.org SUBSET_SIREN:F2330 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'cream food product' (http://purl.obolibrary.org/obo/FOODON_00001216) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) cream (pasteurized) http://langual.org SUBSET_SIREN:F2357 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'rye plant as food source' (http://purl.obolibrary.org/obo/FOODON_03411313) pumpernickel bread http://langual.org SUBSET_SIREN:F2389 soy beverage subset_siren SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) soybean beverage http://langual.org SUBSET_SIREN:F2478 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) multigrain bread http://langual.org SUBSET_SIREN:F2643 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'butter' (http://purl.obolibrary.org/obo/FOODON_00001023) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) butter (salted) http://langual.org SUBSET_SIREN:F2651 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * has substance added 'maltose' (http://purl.obolibrary.org/obo/CHEBI_17306) * has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221) whole wheat cracker http://langual.org SUBSET_SIREN:F2726 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity' (http://purl.obolibrary.org/obo/FOODON_03430102) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) chili seed oil http://langual.org SUBSET_SIREN:F2732 cauliflower subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'floret or flower' (http://purl.obolibrary.org/obo/FOODON_03420237) cauliflower floret (whole, raw) http://langual.org SUBSET_SIREN:F2735 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) pork (raw) http://langual.org SUBSET_SIREN:F2805 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel removed, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420229) cantaloupe (whole, raw) http://langual.org SUBSET_SIREN:F2806 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'sucrose' (http://purl.obolibrary.org/obo/CHEBI_17992) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) * formed as a result of 'flavoring added, artificial' (http://purl.obolibrary.org/obo/FOODON_03460228) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * has substance added http://purl.obolibrary.org/obo/FOODON_03460184 * has substance added 'chocolate or cocoa added' (http://purl.obolibrary.org/obo/FOODON_03460231) * has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263) milk chocolate http://langual.org SUBSET_SIREN:F3084 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity' (http://purl.obolibrary.org/obo/FOODON_03430109) * derives from 'nut milk' (http://purl.obolibrary.org/obo/FOODON_03420214) coconut milk http://langual.org SUBSET_SIREN:F3207 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) couscous (whole, dried) http://langual.org SUBSET_SIREN:F3220 desert preparation dessert subset_siren SIREN DB annotation: * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) dessert food http://langual.org SUBSET_SIREN:F3225 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * derives from 'sugar syrup or syrup solids' (http://purl.obolibrary.org/obo/FOODON_03420271) syrup http://langual.org SUBSET_SIREN:F3504 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) cheese (natural) http://langual.org SUBSET_SIREN:F3588 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'sucrose' (http://purl.obolibrary.org/obo/CHEBI_17992) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * has substance added 'flavoring or spice extract or concentrate added' (http://purl.obolibrary.org/obo/FOODON_03460100) * has substance added 'chocolate or cocoa added' (http://purl.obolibrary.org/obo/FOODON_03460231) * has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263) dark chocolate http://langual.org SUBSET_SIREN:F3711 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) butter blend spread http://langual.org SUBSET_SIREN:F3720 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) * formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) cottage cheese (lowfat) http://langual.org SUBSET_SIREN:F3902 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) * formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) cheese (lowfat) http://langual.org SUBSET_SIREN:F3903 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * has substance added 'dairy product added' (http://purl.obolibrary.org/obo/FOODON_03460242) imitation cottage cheese Breast milk is the milk produced by the breasts (or mammary glands) of a human female to feed a child. https://en.wikipedia.org/wiki/Breast_milk http://langual.org SUBSET_SIREN:F3918 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) human milk (raw) http://langual.org SUBSET_SIREN:F3929 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) pretzel http://langual.org SUBSET_SIREN:F4262 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) * has substance added 'nicotinic acid' (http://purl.obolibrary.org/obo/CHEBI_15940) * has substance added 'riboflavin' (http://purl.obolibrary.org/obo/CHEBI_17015) * has substance added 'iron added' (http://purl.obolibrary.org/obo/FOODON_03460181) * has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194) * has substance added http://purl.obolibrary.org/obo/FOODON_03460309 spaghetti macaroni (enriched) http://langual.org SUBSET_SIREN:F4395 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194) * has substance added 'vitamin a or carotenes added' (http://purl.obolibrary.org/obo/FOODON_03460213) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) skim milk (pasteurized, fortified) http://langual.org SUBSET_SIREN:F4468 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) * has substance added 'protein added' (http://purl.obolibrary.org/obo/FOODON_03460164) * has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221) imitation half and half http://langual.org SUBSET_SIREN:F4497 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) edible seed food product http://langual.org SUBSET_SIREN:F4616 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'shelled egg' (http://purl.obolibrary.org/obo/UBERON_0007379) hen egg (whole, shell on, raw) Note that this allows for several kinds of fruit in one sample, e.g. "some fruit (whole,raw)" allows "apple (whole, raw)" and "orange (whole, raw)". Damion Dooley http://langual.org SUBSET_SIREN:F4644 fruit fruits subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167) fruit (whole, raw) A food product derived from one or more turkey eggs. Damion Dooley http://langual.org turkey egg food product http://langual.org SUBSET_SIREN:F4859 kale subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) kale leaf (whole, raw) http://langual.org SUBSET_SIREN:F4860 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) collard leaf (whole, raw) http://langual.org SUBSET_SIREN:F4996 subset_siren SIREN DB annotation: * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) soybean substance http://langual.org SUBSET_SIREN:F5085 subset_siren SIREN DB annotation: * has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) * formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) yogurt (nonfat) http://langual.org SUBSET_SIREN:F5210 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'nicotinic acid' (http://purl.obolibrary.org/obo/CHEBI_15940) * has substance added 'riboflavin' (http://purl.obolibrary.org/obo/CHEBI_17015) * has substance added 'rye plant as food source' (http://purl.obolibrary.org/obo/FOODON_03411313) * has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194) * has substance added http://purl.obolibrary.org/obo/FOODON_03460309 rye bread (enriched) http://langual.org SUBSET_SIREN:F5236 avocado subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) avocado (whole, raw) http://langual.org SUBSET_SIREN:F5237 tropical fruit subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) tropical fruit (whole, raw) http://langual.org SUBSET_SIREN:F5289 soy milk subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * has substance added 'water addition process' (http://purl.obolibrary.org/obo/FOODON_03460148) soybean milk http://langual.org SUBSET_SIREN:F5304 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167) * formed as a result of 'sterilization by hot filling, held hot and cooling' (http://purl.obolibrary.org/obo/FOODON_03470129) * has substance added 'sugar syrup or sugar syrup solids added' (http://purl.obolibrary.org/obo/FOODON_03460280) fruit preserves http://langual.org SUBSET_SIREN:F5364 subset_siren SIREN DB annotation: * formed as a result of 'sterilization by irradiation' (http://purl.obolibrary.org/obo/FOODON_03470113) food (irradiated) http://langual.org SUBSET_SIREN:F5536 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'sugar syrup or syrup solids' (http://purl.obolibrary.org/obo/FOODON_03420271) * has substance added 'honey added' (http://purl.obolibrary.org/obo/FOODON_03460149) honey blend table syrup http://langual.org SUBSET_SIREN:F5609 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) cow milk (pasteurized) http://langual.org SUBSET_SIREN:F5680 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * derives from 'fruit, peel removed, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420229) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) apple pie filling http://langual.org SUBSET_SIREN:F5705 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'whole animal or most parts used' (http://purl.obolibrary.org/obo/FOODON_03420173) lobster (whole, raw) An unripe, young fruit of various cultivars of a common bean plant (Phaseolus vulgaris). https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Green_bean http://langual.org SUBSET_SIREN:F5806 French bean green bean haricot vert snap bean snaps string bean stringless bean subset_siren Immature or young pods of the runner bean (Phaseolus coccineus), yardlong bean (Vigna unguiculata subsp. sesquipedalis), and hyacinth bean (Lablab purpureus) are used in a similar way. SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'pod containing small, immature seed' (http://purl.obolibrary.org/obo/FOODON_03420169) green bean pod (whole) http://langual.org SUBSET_SIREN:F5833 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) english muffin http://langual.org SUBSET_SIREN:F6100 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) potato (whole, cooked) http://langual.org SUBSET_SIREN:F6123 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) fish oil Milled and reconstructed flakes made from oats and usually served as a cold cereal product. Damion Dooley http://langual.org SUBSET_SIREN:F6272 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'food flaking process' (http://purl.obolibrary.org/obo/FOODON_03460274) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) oat flakes http://langual.org SUBSET_SIREN:F6347 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) pasta Damion Dooley http://langual.org 2019-06-15T02:12:40Z SUBSET_SIREN:F16329 SUBSET_SIREN:F6409 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) * formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200) * formed as a result of 'food homogenization or emulsification process' (http://purl.obolibrary.org/obo/FOODON_03460306) mayonnaise analog http://langual.org SUBSET_SIREN:F6429 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) meat (raw) http://langual.org SUBSET_SIREN:F6441 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'alcoholated' (http://purl.obolibrary.org/obo/FOODON_03460160) * has substance added http://purl.obolibrary.org/obo/FOODON_03460191 * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) * immersed in 'packed in gravy or sauce, meat' (http://purl.obolibrary.org/obo/FOODON_03480036) steak and kidney pie filling http://langual.org SUBSET_SIREN:F6503 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'flavoring, spice or herb added, natural' (http://purl.obolibrary.org/obo/FOODON_03460229) * has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221) bologna http://langual.org SUBSET_SIREN:F6581 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) cow whole milk (pasteurized) A whole nut or some substance made from a processed nut. http://langual.org SUBSET_SIREN:F6632 nut nuts subset_siren SIREN DB annotation: * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) nut (whole or parts) Virgin olive oil is oil obtained from the fruit of the olive tree solely by mechanical or other physical means under conditions, particularly thermal conditions, that do not lead to alterations in the oil, and which have not undergone any treatment other than washing, decantation, centrifugation and filtration. https://static.oliveoiltimes.com/library/ioc-olive-oil-standard.pdf http://langual.org SUBSET_SIREN:F6633 virgin olive oil subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) olive oil (virgin) http://langual.org SUBSET_SIREN:F6644 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'plant above surface, excluding fruit and seed' (http://purl.obolibrary.org/obo/FOODON_03420144) * formed as a result of 'lactic acid-other agent fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460107) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * formed as a result of 'preservation by fermentation' (http://purl.obolibrary.org/obo/FOODON_03470104) * has consumer 'food animal as consumer' (http://purl.obolibrary.org/obo/FOODON_03510015) pea vine silage http://langual.org SUBSET_SIREN:F6672 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) blueberry pie filling http://langual.org SUBSET_SIREN:F6673 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * derives from 'fruit, peel removed, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420229) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) peach pie filling http://langual.org SUBSET_SIREN:F6763 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) fruit pie filling http://langual.org SUBSET_SIREN:F6766 subset_siren SIREN DB annotation: * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) pie filling http://langual.org SUBSET_SIREN:F6773 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) * has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221) pie crust A food paste or spread made from ground, dry-roasted peanuts. https://en.wikipedia.org/wiki/Peanut_butter http://langual.org SUBSET_SIREN:F6867 subset_siren SIREN DB annotation: * has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) peanut butter http://langual.org SUBSET_SIREN:F6903 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) peanut butter (creamy) http://langual.org SUBSET_SIREN:F7119 raspberry subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) raspberry (whole, raw) http://langual.org SUBSET_SIREN:F7147 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) rice (milled) http://langual.org SUBSET_SIREN:F7204 subset_siren SIREN DB annotation: * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) stuffing for turkey http://langual.org SUBSET_SIREN:F7345 subset_siren SIREN DB annotation: * has quality 'crystal' (http://purl.obolibrary.org/obo/FOODON_03430143) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'white sugar' (http://purl.obolibrary.org/obo/FOODON_03420157) sugar (refined) http://langual.org SUBSET_SIREN:F7444 subset_siren SIREN DB annotation: * has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) * formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) yogurt (lowfat) http://langual.org SUBSET_SIREN:F7445 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity' (http://purl.obolibrary.org/obo/FOODON_03430102) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101) * formed as a result of 'food aeration process' (http://purl.obolibrary.org/obo/FOODON_03460178) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * formed as a result of 'preservation by freezing' (http://purl.obolibrary.org/obo/FOODON_03470136) * has substance added 'flavoring or taste ingredient added' (http://purl.obolibrary.org/obo/FOODON_03460117) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) frozen yogurt A food product made from all the parts of a whole wheat kernel. http://langual.org SUBSET_SIREN:F10595 SUBSET_SIREN:F7448 subset_siren SIREN DB annotation: * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) whole wheat food product http://langual.org raw milk SUBSET_SIREN:F7455 milk subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * has consumer 'not pasteurized claim or use' (http://purl.obolibrary.org/obo/FOODON_03510121) cow milk (raw) http://langual.org SUBSET_SIREN:F7668 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) tortilla http://langual.org SUBSET_SIREN:F7813 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) spring water A seed of a melon plant. https://en.wikipedia.org/wiki/Melon http://langual.org SUBSET_SIREN:F7879 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) melon seed (whole) http://langual.org SUBSET_SIREN:F7970 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * has substance added 'flavoring or spice extract or concentrate added' (http://purl.obolibrary.org/obo/FOODON_03460100) * has substance added 'nonnutritive sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460108) * has substance added http://purl.obolibrary.org/obo/FOODON_03460184 * has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263) * has consumer 'energy special claim or use' (http://purl.obolibrary.org/obo/FOODON_03510045) imitation milk chocolate (artifically sweetened) http://langual.org SUBSET_SIREN:F8024 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) haddock (raw) http://langual.org SUBSET_SIREN:F9003 subset_siren SIREN DB annotation: * surrounded by 'can' (http://purl.obolibrary.org/obo/FOODON_03490204) * has quality 'divided into pieces, thickness more than 1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430125) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * has quality 'white fish flesh' (http://purl.obolibrary.org/obo/FOODON_03530056) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * http://purl.obolibrary.org/obo/RO_0002220 http://purl.obolibrary.org/obo/FOODON_03500023 * formed as a result of 'sterilization by heating' (http://purl.obolibrary.org/obo/FOODON_03470123) * immersed in 'packed in water' (http://purl.obolibrary.org/obo/FOODON_03480017) tuna (white, solid pack, canned in water) http://langual.org SUBSET_SIREN:F9389 subset_siren Note - curators are implementing "whole or pieces" rather than "whole and pieces". SIREN DB annotation: * has quality 'whole and pieces' (http://purl.obolibrary.org/obo/FOODON_03430104) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) carrot root (raw, whole or parts) A meat part that has been cut from a large piece of meat and is too small to be sold individually. https://www.merriam-webster.com/dictionary/meat%20scrap http://langual.org SUBSET_SIREN:F9475 meat scrap meat trim meat trim subset_siren SIREN DB annotation: * has quality 'finely ground' (http://purl.obolibrary.org/obo/FOODON_03430106) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'animal body or body part' (http://purl.obolibrary.org/obo/FOODON_03420127) * formed as a result of 'cooking with inherent fat or oil' (http://purl.obolibrary.org/obo/FOODON_03450030) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) * has consumer 'animal as consumer' (http://purl.obolibrary.org/obo/FOODON_03510021) meat trimming http://langual.org SUBSET_SIREN:F9530 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158) * has substance added http://purl.obolibrary.org/obo/FOODON_03460184 * has substance added http://purl.obolibrary.org/obo/FOODON_03460186 muffin http://langual.org SUBSET_SIREN:F9554 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) bagel http://langual.org SUBSET_SIREN:F9664 subset_siren SIREN DB annotation: * derives from 'protein extract, concentrate or isolate' (http://purl.obolibrary.org/obo/FOODON_03420236) tofu food product http://langual.org SUBSET_SIREN:F9738 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'meat part of animal' (http://purl.obolibrary.org/obo/FOODON_03420103) beef (cooked) definition: Shrimp paste or shrimp sauce is a fermented condiment commonly used in Southeast Asian, Northeastern South Asian and Southern Chinese cuisines. Need to set languages of synonyms (japanese/thai ?) http://orcid.org/0000-0002-1816-4260 http://langual.org SUBSET_SIREN:F9823 shrimp sauce bagoong alamang bagoong aramang belacan belachan blachang hae ko hom ha kapi mắm ruốc mắm tép mắm tôm ngapi sidol terasi subset_siren SIREN DB annotation: * has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'whole animal or most parts used' (http://purl.obolibrary.org/obo/FOODON_03420173) * formed as a result of 'fermentation/modification process, multiple component' (http://purl.obolibrary.org/obo/FOODON_03460128) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173) * formed as a result of 'preservation by fermentation' (http://purl.obolibrary.org/obo/FOODON_03470104) shrimp paste http://langual.org SUBSET_SIREN:F9840 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) ginger root (whole, raw) A whole coconut or some substance made from a processed coconut. http://orcid.org/0000-0002-1816-4260 http://orcid.org/0000-0002-4366-3088 http://langual.org SUBSET_SIREN:F9861 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) coconut (whole or parts) http://langual.org SUBSET_SIREN:F9927 garden tomato tomato subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) tomato (whole, raw) Meat from a pig that has been ground or minced. http://langual.org SUBSET_SIREN:F9969 subset_siren SIREN DB annotation: * has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) pork (ground or minced) http://langual.org SUBSET_SIREN:F9973 subset_siren SIREN DB annotation: * has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'sucrose' (http://purl.obolibrary.org/obo/CHEBI_17992) * formed as a result of 'sterilization by hot filling, held hot and cooling' (http://purl.obolibrary.org/obo/FOODON_03470129) * has substance added 'pectin added' (http://purl.obolibrary.org/obo/FOODON_03460145) * has substance added http://purl.obolibrary.org/obo/FOODON_03460147 jam http://langual.org SUBSET_SIREN:F10006 subset_siren SIREN DB annotation: * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) fermented bean product http://langual.org SUBSET_SIREN:F10351 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'butter' (http://purl.obolibrary.org/obo/FOODON_00001023) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) butter http://langual.org SUBSET_SIREN:F10387 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) oil http://langual.org SUBSET_SIREN:F10546 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) * formed as a result of 'steeping' (http://purl.obolibrary.org/obo/FOODON_03450036) tea (steeped) http://langual.org SUBSET_SIREN:F10547 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * formed as a result of 'artificially carbonated' (http://purl.obolibrary.org/obo/FOODON_03460109) * has substance added 'nonnutritive sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460108) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) * has consumer 'low energy food' (http://purl.obolibrary.org/obo/FOODON_03510033) soft drink (dietetic) http://langual.org SUBSET_SIREN:F10564 subset_siren SIREN DB annotation: * has quality 'divided into pieces' (http://purl.obolibrary.org/obo/FOODON_03430152) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * has quality 'belly meat' (http://purl.obolibrary.org/obo/FOODON_03530063) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'cooking with inherent fat or oil' (http://purl.obolibrary.org/obo/FOODON_03450030) * formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) bacon (fried) http://langual.org SUBSET_SIREN:F10573 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'food filling process' (http://purl.obolibrary.org/obo/FOODON_03460207) * formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) turkey sandwich A frankfurter made entirely of chicken. http://langual.org 2021-07-19T12:16:20Z SUBSET_SIREN:F10576 chicken frank subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003) * derives from 'skeletal meat part, without bone or shell' (http://purl.obolibrary.org/obo/FOODON_03420125) * formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172) * formed as a result of 'curing or aging < 2 weeks' (http://purl.obolibrary.org/obo/FOODON_03460288) * formed as a result of 'food homogenization or emulsification process' (http://purl.obolibrary.org/obo/FOODON_03460306) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) chicken frankfurter http://langual.org SUBSET_SIREN:F10611 subset_siren SIREN DB annotation: * has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) poultry (whole or parts) A seed of a lentil plant (Lens culinaris). http://orcid.org/0000-0002-8844-9165 http://langual.org SUBSET_SIREN:F10641 lentil subset_siren lentil (whole) A seed of a legume plant in the family Fabaceae. https://orcid.org/0000-0001-5275-8866 http://langual.org 2020-10-21T09:28:28 SUBSET_SIREN:F10646 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) legume (whole) Precooked or cured meat, often sausages or meat loaves, that are sliced and served cold or hot on sandwiches or on party trays. http://langual.org SUBSET_SIREN:F10675 cold cut deli meat lunch meat subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) luncheon meat http://langual.org SUBSET_SIREN:F10753 subset_siren SIREN DB annotation: * has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) ground beef (cooked) http://langual.org SUBSET_SIREN:F10775 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'lactic acid-other agent fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460107) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * has substance added http://purl.obolibrary.org/obo/FOODON_03460143 * has substance added http://purl.obolibrary.org/obo/FOODON_03460212 * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) pizza food product http://langual.org SUBSET_SIREN:F10780 cow whole milk whole milk subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) cow whole milk 3.5% fat http://langual.org SUBSET_SIREN:F10784 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) * formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119) fermented vegetable food product A whole apple or some substance made from processed apple. Damion Dooley http://langual.org SUBSET_SIREN:F10788 apple subset_siren apple (whole or parts) http://langual.org SUBSET_SIREN:F10795 subset_siren SIREN DB annotation: * has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'heavy cream' (http://purl.obolibrary.org/obo/FOODON_03420161) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) heavy cream http://langual.org SUBSET_SIREN:F10806 subset_siren SIREN DB annotation: * has quality 'semiliquid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430110) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'cooking in water or water-based liquid' (http://purl.obolibrary.org/obo/FOODON_03450013) * formed as a result of 'food rolling process' (http://purl.obolibrary.org/obo/FOODON_03460239) * formed as a result of 'rehydration process' (http://purl.obolibrary.org/obo/FOODON_03460259) oatmeal (cooked) http://langual.org SUBSET_SIREN:F10815 subset_siren Curation note: This was "soft dring not further specified". We are relaxing siren annotations to allow for subclasses. SIREN DB annotation: * surrounded by 'can, bottle or jar' (http://purl.obolibrary.org/obo/FOODON_03490194) * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * formed as a result of 'artificially carbonated' (http://purl.obolibrary.org/obo/FOODON_03460109) * formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200) * has substance added 'flavoring or taste ingredient added' (http://purl.obolibrary.org/obo/FOODON_03460117) * has substance added 'sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460202) soft drink http://langual.org SUBSET_SIREN:F10826 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) meat (processed) http://langual.org SUBSET_SIREN:F10828 subset_siren SIREN DB annotation: * has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) poultry (processed) Damion Dooley http://langual.org zucchini SUBSET_SIREN:F10943 green zucchini zucchini squash courgettes subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140) zucchini squash (whole) Breakfast food that is made from processed cereal grains and is often consumed with dairy products such as milk. https://en.wikipedia.org/wiki/Breakfast_cereal http://langual.org SUBSET_SIREN:F11075 subset_siren SIREN DB annotation: * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) breakfast cereal A food product that has not been cooked. http://langual.org SUBSET_SIREN:F11126 subset_siren SIREN DB annotation: * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) food (raw) http://langual.org SUBSET_SIREN:F11131 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'cooking by dry heat' (http://purl.obolibrary.org/obo/FOODON_03450004) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) pork sausage (oven-cooked) http://langual.org SUBSET_SIREN:F11153 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) breakfast cereal (oat-based) http://langual.org SUBSET_SIREN:F11235 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) * has substance added 'vitamin A' (http://purl.obolibrary.org/obo/CHEBI_12777) * has substance added 'vitamin D' (http://purl.obolibrary.org/obo/CHEBI_27300) * has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194) * has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039) skim milk (pasteurized, vitamin A and D fortified) A variety of dry onion with a strong flavour. It has a greenish-white, light yellow, or white inside; its layers of papery skin have a yellow-brown or pale golden colour. It is higher in sulphur content than the white onion, which gives it a stronger, more complex flavour. http://langual.org SUBSET_SIREN:F11276 Allium cepa L. brown onion yellow onion subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) yellow onion (whole, raw) http://langual.org SUBSET_SIREN:F11353 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) carrot top (raw) http://langual.org SUBSET_SIREN:F11356 climbing bean pole bean subset_siren SIREN DB annotation: * has quality 'whole' (http://purl.obolibrary.org/obo/FOODON_03430131) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'pod containing small, immature seed' (http://purl.obolibrary.org/obo/FOODON_03420169) pole bean pod http://langual.org SUBSET_SIREN:F11386 subset_siren SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460252) rice milk beverage http://langual.org SUBSET_SIREN:F11507 subset_siren SIREN DB annotation: * has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122) * derives from 'animal body or body part' (http://purl.obolibrary.org/obo/FOODON_03420127) pork trimming http://langual.org SUBSET_SIREN:F11540 subset_siren SIREN DB annotation: * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'rehydration process' (http://purl.obolibrary.org/obo/FOODON_03460259) breakfast cereal (cooked) http://langual.org SUBSET_SIREN:F11588 subset_siren SIREN DB annotation: * has quality 'divided into pieces' (http://purl.obolibrary.org/obo/FOODON_03430152) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * has quality 'belly meat' (http://purl.obolibrary.org/obo/FOODON_03530063) * derives from 'skeletal meat part, without bone or shell' (http://purl.obolibrary.org/obo/FOODON_03420125) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) bacon (baked) http://langual.org SUBSET_SIREN:F11610 subset_siren SIREN DB annotation: * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) pork (cooked) http://langual.org SUBSET_SIREN:F11664 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) lamb (roasted) http://langual.org SUBSET_SIREN:F11682 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) mortadella http://langual.org SUBSET_SIREN:F11694 subset_siren SIREN DB annotation: * has quality 'sliced' (http://purl.obolibrary.org/obo/FOODON_03430137) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) ham (sliced, cooked) http://langual.org SUBSET_SIREN:F11737 subset_siren processed food product A food product made primarily of the endosperm of a rice grain. http://langual.org SUBSET_SIREN:F11818 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440022) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) white rice food product An axillary bud of the brussels sprout plant (Brassica oleracea var. gemmifera). http://orcid.org/0000-0002-8844-9165 http://langual.org SUBSET_SIREN:F11885 brussels sprouts subset_siren brussels sprout (whole) http://langual.org SUBSET_SIREN:F12033 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'food filling process' (http://purl.obolibrary.org/obo/FOODON_03460207) pastry (filled) A cured sausage which consists of fermented and air-dried meat, typically pork. https://en.wikipedia.org/wiki/Salami http://langual.org SUBSET_SIREN:F12067 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * has quality 'solid containing very small particles (<1 mm.)' (http://purl.obolibrary.org/obo/FOODON_03530098) * derives from 'skeletal meat part, without bone and skin, with separable fat' (http://purl.obolibrary.org/obo/FOODON_03420269) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'flavoring, spice or herb added, natural' (http://purl.obolibrary.org/obo/FOODON_03460229) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) * has substance added 'animal fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460262) salami http://langual.org SUBSET_SIREN:F12068 subset_siren SIREN DB annotation: * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) * formed as a result of 'decaffeination process' (http://purl.obolibrary.org/obo/FOODON_03460140) tea (decaffeinated) snack A snack is a small portion of food and generally eaten between meals. Damion Dooley http://langual.org SUBSET_SIREN:F15013 subset_siren snack food A sweetener which has little or no caloric or nutrient content. http://langual.org SUBSET_SIREN:F15027 artificial sweetener subset_siren sweetener (nonnutritive) An aromatic beverage commonly prepared by pouring hot or boiling water over cured leaves of the Camellia sinensis, an evergreen shrub (bush) native to East Asia. Damion Dooley http://langual.org SUBSET_SIREN:F15081 tea subset_siren SIREN DB annotation: * derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200) tea food product http://langual.org SUBSET_SIREN:F15150 subset_siren SIREN DB annotation: * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) mammalian milk product http://langual.org SUBSET_SIREN:F15171 subset_siren SIREN DB annotation: * has substance added http://purl.obolibrary.org/obo/FOODON_03460163 * has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194) multivitamin preparation A fish product is a home-made or commercially produced or retail or wholesale product containing substantial amounts of freshwater or saltwater fish and/or shellfish flesh. Note that this category should avoid items that mention a particular species of fish or shellfish. Damion Dooley http://langual.org SUBSET_SIREN:F15173 subset_siren SIREN DB annotation: * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) fish product (unspecified species) https://en.wikipedia.org/wiki/Fish_products A caryopsis fruit of a whole wheat wheat plant. https://en.wikipedia.org/wiki/Wheat http://langual.org SUBSET_SIREN:F15184 wheat whole wheat kernel whole wheat seed subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) This is a duplicate quality and so is being deprecated: * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) whole wheat kernel http://langual.org SUBSET_SIREN:F15188 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) oat kernel http://langual.org SUBSET_SIREN:F15233 walnut subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) walnut (whole, raw) http://langual.org SUBSET_SIREN:F15252 subset_siren SIREN DB annotation: * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) * formed as a result of 'food homogenization or emulsification process' (http://purl.obolibrary.org/obo/FOODON_03460306) cod liver oil emulsion http://langual.org SUBSET_SIREN:F15258 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * formed as a result of 'griddle cooking' (http://purl.obolibrary.org/obo/FOODON_03450008) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) * has substance added 'chemical leavening agent added' (http://purl.obolibrary.org/obo/FOODON_03460351) pancake http://langual.org SUBSET_SIREN:F15259 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * formed as a result of 'griddle cooking' (http://purl.obolibrary.org/obo/FOODON_03450008) waffle http://langual.org SUBSET_SIREN:F15272 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208) * has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158) pastry http://langual.org SUBSET_SIREN:F15295 subset_siren SIREN DB annotation: * has quality 'semiliquid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430135) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) * formed as a result of 'alcohol-acetic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460123) * formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200) * has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) catsup A whole vegetable or some substance made from a processed vegetable. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Vegetable 2022-04-13T09:20:12Z vegetable vegetable (whole or parts) http://langual.org SUBSET_SIREN:F15324 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) cereal product (solid) A shoot axis tuber of a potato plant (Solanum tuberosum). http://orcid.org/0000-0002-8844-9165 http://langual.org SUBSET_SIREN:F15354 potato subset_siren potato (whole) A drupe fruit of a peach tree (Prunus persica) https://orcid.org/0000-0001-5275-8866 http://langual.org 2020-10-13T05:48:32 SUBSET_SIREN:F15502 peach subset_siren peach (whole) http://langual.org SUBSET_SIREN:F15614 subset_siren SIREN DB annotation: * derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167) berry product http://langual.org SUBSET_SIREN:F15615 subset_siren SIREN DB annotation: * derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167) fruit food product http://langual.org SUBSET_SIREN:F15702 subset_siren SIREN DB annotation: * has substance added 'nonnutritive sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460108) sweetener (table-top) A food product that is highly seasoned minced meat and is encased in a skin in the shape of a cylinder. https://en.wikipedia.org/wiki/Sausage http://langual.org SUBSET_SIREN:F15904 sausage subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * derives from 'meat part of animal' (http://purl.obolibrary.org/obo/FOODON_03420103) * has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227) sausage (whole) http://langual.org SUBSET_SIREN:F16034 subset_siren SIREN DB annotation: * derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) snack (potato-based) An egg produced by a chicken hen. http://langual.org egg SUBSET_SIREN:F16061 chicken egg hen egg subset_siren This term is ambiguous about whether shell remains on egg or not, i.e. this encompasses both an uncooked egg in shell, or a boiled peeled egg, or a fried egg. SIREN DB annotation: * derives from 'whole egg' (http://purl.obolibrary.org/obo/FOODON_03420274) hen egg (whole) http://langual.org SUBSET_SIREN:F16079 subset_siren SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) * has quality 'heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440022) * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) * formed as a result of 'steeping' (http://purl.obolibrary.org/obo/FOODON_03450036) herbal infusion http://langual.org SUBSET_SIREN:F16090 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity' (http://purl.obolibrary.org/obo/FOODON_03430109) sport drink http://langual.org SUBSET_SIREN:F16213 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) cereal (dry) http://langual.org SUBSET_SIREN:F16271 subset_siren SIREN DB annotation: * derives from 'sugar' (http://purl.obolibrary.org/obo/FOODON_03420108) sugar product A bulb of an onion plant (Allium cepa). https://orcid.org/0000-0001-5275-8866 http://langual.org 2020-10-21T05:43:41 SUBSET_SIREN:F16347 bulb onion common onion subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239) onion (whole) A whole or processed walnut. https://orcid.org/0000-0001-5275-8866 https://en.wikipedia.org/wiki/Walnut http://langual.org 2022-04-13T12:47:02Z SUBSET_SIREN:F16466 walnut subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) walnut (whole or parts) http://langual.org SUBSET_SIREN:F16522 subset_siren SIREN DB annotation: * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) tomato multi-component product http://langual.org SUBSET_SIREN:F16579 subset_siren SIREN DB annotation: * derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174) multi-component plant food product http://langual.org SUBSET_SIREN:F16694 subset_siren SIREN DB annotation: * derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190) vegetable fat food product A commercial product which is monosaccharide fructose, dried, ground, and of high purity. http://langual.org SUBSET_SIREN:F16754 crystaline fructose subset_siren SIREN DB annotation: * has quality 'crystal' (http://purl.obolibrary.org/obo/FOODON_03430143) * derives from 'fructose' (http://purl.obolibrary.org/obo/CHEBI_28757) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) crystaline fructose A product that uses coconut as a material. http://langual.org SUBSET_SIREN:F16908 subset_siren SIREN DB annotation: * derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132) coconut food product http://langual.org SUBSET_SIREN:F16937 subset_siren SIREN DB annotation: * has quality 'medium ground' (http://purl.obolibrary.org/obo/FOODON_03430117) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138) * formed as a result of 'decaffeination process' (http://purl.obolibrary.org/obo/FOODON_03460140) * formed as a result of 'roasting seed process' (http://purl.obolibrary.org/obo/FOODON_03460391) * formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116) coffee bean (decaffeinated, roasted) A meat product is a product organized by the form of - or processing done to - its meat component (a skeletal meat part of an animal or crustacean). http://langual.org SUBSET_SIREN:F17170 subset_siren SIREN DB annotation: * derives from 'animal body or body part' (http://purl.obolibrary.org/obo/FOODON_03420127) meat (whole or parts) A primary root of a commonbeet plant (Beta vulgaris). http://orcid.org/0000-0002-8844-9165 http://langual.org SUBSET_SIREN:F17254 beet beetroot subset_siren beetroot (whole) http://langual.org SUBSET_SIREN:F17288 subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) * has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152) pie (baked) http://langual.org SUBSET_SIREN:F17327 subset_siren SIREN DB annotation: * has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119) * derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) pizza crust Bacon whole cut or parts – is either a whole slab of bacon or cuts from a slab. https://en.wikipedia.org/wiki/Bacon http://langual.org SUBSET_SIREN:F17331 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * derives from 'skeletal meat part, without bone or shell' (http://purl.obolibrary.org/obo/FOODON_03420125) * formed as a result of 'smoked by smoke infiltration' (http://purl.obolibrary.org/obo/FOODON_03460118) * formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253) bacon (whole cut or parts) http://langual.org 2019-08-26T14:16:46Z SUBSET_SIREN:F10762 SUBSET_SIREN:F17336 SUBSET_SIREN:F17337 beef hamburger patty beef patty beefburger subset_siren SIREN DB annotation: * has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147) * derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268) ground beef patty http://langual.org SUBSET_SIREN:F17344 subset_siren SIREN DB annotation: * has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151) * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175) poultry (cooked) http://langual.org SUBSET_SIREN:F17387 subset_siren SIREN DB annotation: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) corn kernel (whole) http://langual.org SUBSET_SIREN:F17450 subset_siren SIREN DB annotation: * has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014) * derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133) * formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005) coffee bean (roasted) http://langual.org SUBSET_SIREN:F17492 subset_siren cheese analog, dairy-based http://langual.org SUBSET_SIREN:F17494 subset_siren SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) * derives from 'fruit or seed' (http://purl.obolibrary.org/obo/FOODON_03420165) beverage (almond, non-alcoholic) http://langual.org SUBSET_SIREN:F17575 subset_siren SIREN DB annotation: * has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123) * has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018) * derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913) * formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248) * formed as a result of 'preservation by heat treatment' (http://purl.obolibrary.org/obo/FOODON_03470120) * formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135) skim milk (pasteurized) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0100 pizza pie LanguaL curation note: Used only for unsweetened products; sweetened pies are indexed under *PIE, SWEETENED*. pie, unsweetened, or pizza (us cfr) Milk modified by adding acid-producing and/or flavor-producing bacteria under controlled conditions. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0101 milk product, cultured cultured milk product (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0102 crepe, dinner taco, prepared prepared food product with bakery base or enclosure, unsweetened (us cfr) Seasoned product that contains multiple ingredients and that is used in limited amounts to accompany other foods; excludes flavors, spices and herbs. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0105 condiment, dressing, gravy or sauce gravy, condiment, dressing or sauce sauce, condiment, dressing or gravy dressing, condiment, gravy or sauce (us cfr) Food product prepared by drying and/or cooking a mixture of milled grain or non-grain starch with a liquid and usually other ingredients such as sweeteners or fats. Includes sweetened and unsweetened bakery products, macaroni or noodle products and breakfast cereals. Excludes *PUDDING, STARCH*, which is under *CUSTARD OR PUDDING*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0106 prepared grain or starch product (us cfr) Includes breads, crackers, pie or pizza crusts and pretzels. Excludes glazed, filled or frosted bakery products, which fall under *BAKERY PRODUCT, SWEETENED* and unsweetened filled products that fall under *PREPARED FOOD PRODUCT WITH BAKERY BASE OR ENCLOSURE, UNSWEETENED* or the appropriate narrower term. See 21 CFR for description of some subgroups. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0107 crepe, unfilled unfilled crepe unsweetened bakery product bakery product, unsweetened (us cfr) Beverage containing no more than 0.5% alcohol; it may be flavored, sweetened or carbonated; includes soft drinks and steeped beverages; excludes milk in all forms, fruit juices, diluted fruit juices and vegetable juices. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0112 malt beverage, nonalcoholic nonalcoholic beverage (us cfr) Aromatic or pungent plant product used whole or ground as a seasoning in food products. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0113 herb or spice spice or herb (us cfr) A frozen dessert prepared from one or more dairy ingredients or their analogs, plus other ingredients. Includes frozen dairy items offered in a cone, a sandwich or as a cake or pie, such as frozen yogurt in a cone or an ice cream sandwich; these are also indexed under *GRAIN ADDED*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0114 dairy dessert, frozen dessert, frozen dairy frozen dairy dessert (us cfr) Natural cheese, cured or uncured, cheese product (which is further processed), or cheese product analog. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0115 cheese or cheese product (us cfr) A substance having greater than 2% of the caloric value of sucrose per equivalent unit of sweetening capacity. For example, the amount of such subtance having the sweetening capacity of 1 teaspoon of sucrose would have more than 0.4 calories (21 CFR 170.3(o)(21)). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0118 nutritive carbohydrate sweetener sweetener, nutritive nutritive sweetener (us cfr) Any form of whole or milled grain, prepared grain product or starch containing product derived from non-grain sources. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0125 grain or starch product (us cfr) Food product having functional characteristics similar to those of cheese or cheese product; it may be nutritionally equivalent or inferior to the product it purports to resemble. The ingredients may or may not be milk-based. An example is a cheese-like product made from skim milk and vegetable oil. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0128 cheese substitute cheese, imitation imitation cheese cheese product analog (us cfr) Extract, concentrate or isolate derived from a food source through one or more refining steps (see *EXTRACT, CONCENTRATE OR ISOLATE OF PLANT OR ANIMAL*) and marketed as such. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0129 refined or partially-refined food product (us cfr) Food product consisting of comminuted poultry meat, usually seasoned, pressed and/or encased. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0131 poultry-based sausage or luncheon meat (us cfr) Food product having functional characteristics similar to a meat product; it may be nutritionally equivalent or inferior to the product it purports to resemble. Typically these products are soybean-based. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0132 imitation meat meat product analog (us cfr) Product that imparts or helps to impart a taste or aroma in food (21 CFR.170.3(n)(26). [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0133 seasoning or flavoring flavoring or seasoning (us cfr) Includes cakes, cookies, pies, quick breads, doughnuts and related products, also bakery products that are glazed, frosted or have a sweetened filling. If sugar is not the first ingredient, *SUGAR OR SUGAR SYRUP ADDED* as well as *SWEETENER ADDED* (or the appropriate narrower term under each) should be indexed in *H. TREATMENT APPLIED*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0135 crepe, dessert dessert crepe sweetened bakery product bakery product, sweetened (us cfr) Dressing for which no standards of identity are specified in the CFR. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0136 nonstandardized dressing (us cfr) A multiple-component food product typically containing a protein source, a vegetable, and a potato, rice or cereal-based component packaged to be served after heating, either as separate items or courses or mixed as recipe components; see 21 CFR 102.26, 102.28 and 104.47 for nutritional quality guidelines. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0139 compartmentalized dinner dinner with components separated in serving containers dinner, compartmentalized food packs with separate components heat and serve dinner multiple-course dinner tv dinner multicomponent meal (us cfr) Substance having less than 2% of the caloric value of sucrose per equivalent unit of sweetening capacity. For example, the amount of such substance having the sweetening capacity of 1 teaspoon of sucrose would have no more than 0.4 calories (21 CFR 170.3(o)(19)). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0142 sweetener, nonnutritive nonnutritive sweetener (us cfr) Fruit in all forms; includes fruit juices and fruit juice drinks, fruit butters, jellies, preserves, and related products. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0143 pie filling, fruit fruit or fruit product (us cfr) Food product having functional characteristics similar to milk or milk products, including cream product analogs, margarine, and milk analogs. Certain alternate ingredients are substituted for those components that are responsible for specific functional properties. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0147 milk or milk product analog (us cfr) Milk in all forms, milk-based beverage, cultured milk product, or milk or milk product analog. Index infant formula under *MEAL REPLACEMENT*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0148 milk or milk product (us cfr) Food product prepared by milling a grain or by producing flour, meal or grits from a non-grain source such as beans, starchy roots or tubers. Refined starch is indexed under *REFINED OR PARTIALLY REFINED FOOD PRODUCT*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0149 milled grain or starch product (us cfr) Meat (flesh and organs including blood and bone marrow) from mammals. Used for meat in all forms including cured meat, sausage or luncheon meat and meat product analogs. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0150 meat or meat product (from mammal) (us cfr) Vegetables in all forms except where a use-related product type descriptior (such as *PREPARED FOOD PRODUCT* or *SNACK FOOD*) takes precedence. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0152 vegetable or vegetable product (us cfr) Semisolid or jelled food prepared from fruit or fruit juice and other ingredients prescribed for the individual products (21 CFR 150). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0155 fruit butter, jelly, preserve or related product (us cfr) Milk, a product derived from milk, or a dairy product analog; includes cheese and frozen dairy desserts. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0164 dairy product (us cfr) Yeast-leavened bread that is used as a base for filling, particularly to make pizza. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0167 pizza crust (us cfr) Food product that is 1) ready or nearly ready for consumption; 2) usually a composite of several foods or ingredients that often belong to distinct product types; 3) usually formulated, mixed and partially or fully cooked. Prepared foods often undergo several of the processes listed in *F. EXTENT OF HEAT TREATMENT* and *H. TREATMENT APPLIED*; these factors should be carefully considered in indexing. The classification of prepared food products emphasizes consumption characteristics. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0172 prepared dish prepared food product (us cfr) Unsweetened bakery product that may be unleavened or yeast-leavened and may be baked in various forms. Excludes pie crust. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0178 bun, roll, or bread roll, bun, or bread bread (us cfr) Food product that is usually pungent, tart, salty, or spicy and is used to enhance the flavors of other foods; includes catsup, relish, prepared mustard, prepared horseradish, and condiment sauces. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0179 relish or condiment condiment or relish (us cfr) Food product having functional characteristics similar to milk; it may be nutritionally equivalent or inferior to the product it purports to resemble. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0182 imitation milk milk analog (us cfr) Chemically leavened sweetened bakery product that may contain other ingredients such as fruits, nuts or that may be filled. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0183 fruit bread nut bread quick bread, sweetened (us cfr) Natural cheese that is not cured or is cured for less than 7 days. It may undergo some further processing, such as creaming. It is consumed fresh and has a mild acid flavor. Moisture max. 80%. Includes such products as cottage cheese, cream cheese and mozzarella cheese. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0185 soft cheese uncured cheese (us cfr) Cheese made from milk or milk components, such as cream, by the following process: (1) produce curd through coagulation of milk by bacterial action and/or enzymes and/or acidification and draining of whey. (2) For cured cheese only: cure the curd. Excludes products made through further processing, such as comminuting (see *CHEESE PRODUCT*). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0187 natural cheese (us cfr) Candy or other food product made with sweeteners and frequently containing nuts, fruits, starches, flavorings and other foods (21 CFR 170.3(n)(9). [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0188 confectionery (us cfr) Prepared grain product made by baking or frying. Includes doughs, batters and mixes. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0191 bakery product (us cfr) A thin, sweetened bakery product griddled or cooked in a heated mold. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0194 waffle or pancake pancake or waffle (us cfr) Sweetened bakery product consisting of a sweetened or unsweetened pastry shell or enclosure containing a sweetened filling, usually fruit, cheese or custard. Examples would be apple strudel, danish pastry or cream puff. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0202 pastry, sweetened (us cfr) Sweetened bakery product baked in individual portions that are usually small and flat. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0203 cookie (us cfr) Food product prepared by heating a mixture of sweeteners and other optional ingredients according to the specific formula for each subgroup. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0204 candy (us cfr) A frozen dessert prepared from yogurt and other ingredients. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0211 yogurt, frozen frozen yogurt (us cfr) Natural or synthetic product, dissolved in a suitable solvent or carried on an appropriate dry base and added to a food product to enhance or impart taste and aroma. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0215 aroma flavoring (us cfr) Products of the flesh of animals. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0217 meat, poultry, seafood or related product (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0218 LanguaL curation note: Sandwich takes precedent over other product types. Examples: peanut butter and jelly sandwich, tuna sandwich, egg salad sandwich or hamburger on roll. The filling of a sandwich is always indexed as the food source, even if the bread is the same weight or outweighs the filling ingredient(s). The bread would be indexed by *GRAIN ADDED* or the appropriate narrower term. sandwich (us cfr) This category includes a wide variety of products made from comminuted or chopped meat (skeletal and/or organ meat) that is usually salted and/or seasoned and often stuffed in an edible or inedible casing. Includes products such as pork sausage, pickle or pimiento loaf, meat spread and pate, and products made by binding meat chunks with gelatin or other binders, such as sectioned and formed ham, beef rolls, and headcheese. Excludes plain ground meat, meat loaf and products made by slicing intact muscle or other tissue, even if packaged and marketed like luncheon meat. Index all processes applied to the product at hand; examples: *FULLY HEAT TREATED*, *CURED FOR 2 MONTHS*, *SMOKED*, *FERMENTED*, *EMULSIFIED OR HOMOGENIZED*. Also consider *PARTICLE SIZE IN SOLID FORMED PRODUCTS* and *TYPEOF SAUSAGE CASING* in *Z. ADJUNCT CHARACTERISTICS OF FOOD*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0221 luncheon meat sausage or luncheon meat (us cfr) Sweetened prepared product usually consumed after the main course in a meal. Excludes fruit or fruit products, bakery products and confectionery. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0222 dessert (us cfr) Unsweetened food product marketed for consumption between meals; excludes nuts, edible seeds, and sweetened products such as cakes, puddings and candies. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0228 snack food (us cfr) Alcoholic or nonalcoholic beverage; excludes milk and milk-based beverages, fruit juices and fruit juice drinks, and vegetable juices. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0229 beverage (us cfr) Food product having functional characteristics similar to those of butter; it is in plastic form or liquid emulsion and contains not less than 80% fat whose origin is vegetable or rendered animal carcass fats or a mixture of these as well as other optional ingredients specified by 21 CFR 166.110. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0231 margarine (us cfr) A product added to a food item to achieve some degree of sweet taste; it may be nutritive or nonnutritive. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0237 sweetener (us cfr) Nonalcoholic beverage made from potable water by adding one or more of the following: carbon dioxide, flavoring ingredients or sweeteners. Naturally or artificially carbonated mineral waters are also considered soft drinks. Excludes products containing 15% or more fruit juice, which are indexed by the appropriate narrower term under *FRUIT JUICE OR RELATED PRODUCT*. Includes beverage bases to make soft drinks. Carbonated fruit juices are indexed by *FRUIT JUICE* or *FRUIT JUICE, DILUTED* and *CARBONATED* or the appropriate narrower term. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0241 soft drink (us cfr) Unsweetened bakery product baked in individual portions that are usually thin and crisp and may or may not be fat coated. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0242 cracker (us cfr) Deep-fat fried sweetened bakery product that may be leavened with yeast or baking powder. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0248 cruller doughnut (us cfr) Viscous or semisolid fruit product made from whole fruits or pieces of fruit of one or more varieties and optional ingredients. Includes fruit preserve or jam (21 CFR 150.160) and artificially sweetened fruit preserve or jam (21 CFR 150.161). The specifications of starting mixture and finished soluble solids are the same as for fruit jelly. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0251 jam or fruit preserve marmalade fruit preserve or jam (us cfr) Sweetened bakery product consisting of a sweetened or unsweetened pie crust and a sweetened filling. The filling is always indexed as the food source, even if the crust is the same weight or greater weight than the filling ingredient. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0253 tart turnover, sweetened pie, sweetened (us cfr) Fruits and vegetables in all forms. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0257 fruit or vegetable product (us cfr) Prepared grain product ready or nearly ready for consumption and marketed primarily for breakfast use. Includes formulated breakfast cereals such as 'corn flakes' or 'cheerios' and simple breakfast cereals such as instant oatmeal. Excludes rolled oats, corn grits and similar products, which are indexed under *MILLED GRAIN OR STARCH PRODUCT*. See also *MILLED GRAIN OR STARCH PRODUCT*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0258 cereal, breakfast breakfast cereal (us cfr) Nuts in all forms, including nut butters and pastes. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0260 nut or nut product (us cfr) Fresh egg in shell, liquid, frozen, dried egg or egg component, or egg product analog. Includes boiled, poached, scrambled, and fried eggs. Excludes prepared egg dishes, such as omelettes. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0261 egg or egg product (us cfr) The liquid extracted or expressed from mature vegetables with or without optional ingredients such as seasoning or salt. Products prepared from vegetable juice by thickening with gelatin or pectin are indexed under the broader term *VEGETABLE OR VEGETABLE PRODUCT*. For part or portion, index the part or the plant from which the juice was extracted, rather than *PLANT EXTRACT, CONCENTRATE, OR ISOLATE*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0264 juice, vegetable vegetable juice (us cfr) Flesh from fish or shellfish. Includes seafood product analogs and seafood-based sausage or luncheon meat as well as such products as squid ink and clam juice. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0267 seafood or seafood product (us cfr) Beverage prepared by extracting flavor and other components from food sources by percolation and/or immersion in water, usually at near-boiling temperature. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0268 steeped beverage (us cfr) Any form of cacao, cacao product, chocolate, chocolate product or chocolate product analog except chocolate candy; includes such products as cacao beans, cacao nibs, chocolate liquor, sweet or milk chocolate, and chocolate syrup; excludes flavors and extracts derived from cacao beans and chocolate- or cacao-flavored foods (21 CFR 163). [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0272 chocolate or cacao product cacao or chocolate product (us cfr) Meat (flesh and organs including blood and bone marrow) from poultry. Used for poultry meat in all forms including poultry product analogs and poultry-based sausage or luncheon meat. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0273 poultry or poultry product (us cfr) A prepared grain or starch product made by forming units of dough composed of one or more flours, water and other ingredients. Macaroni, spaghetti and vermicelli may have *EGG WHITE ADDED*, but not egg yolk. Noodles, egg macaroni, egg spaghetti and egg vermicelli have *EGG YOLK ADDED* and should be so indexed. This refers to macaroni or noodles used as ingredients; excludes *PASTA DISH*, which is found under *PREPARED FOOD PRODUCT* (21 CFR 139). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0275 macaroni or noodle product (us cfr) Standardized or nonstandardized mixture of edible fats or oils, acidifying agents and optional ingredients such as sweeteners (nutritive or nonnutritive), starch, egg and seasonings. Used in limited amounts to accompany salads and other foods. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0276 food dressing dressing for food (us cfr) Meat product that has been preserved through treatment with salt (brining, dry salting or injection of salt solution), heating and drying. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0279 meat, cured cured meat (us cfr) Chemically leavened unsweetened bakery product such as biscuits or unsweetened cornbread. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0283 quick bread, unsweetened (us cfr) Nonstandardized food product used as a meal accompaniment and consisting of a mixture of fats or oils, starch, liquid and other optional ingredients specified by the recipe; excludes condiment sauce (q.v.) and tomato or spaghetti sauce, which are vegetable products. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0286 sauce or gravy gravy or sauce (us cfr) Candy with the predominant ingredient chocolate; includes chocolate bars and other forms when these are marketed as candy (21 CFR 163). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0288 candy, chocolate chocolate candy Food group having common consumption, functional or manufacturing characteristics, e.g. *FRUIT OR VEGETABLE PRODUCT*, *DAIRY PRODUCT*, *CONFECTIONARY*, *PREPARED FOOD PRODUCT*, etc. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0289 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. USA agency food product type Dressing for which standards of identity are specified in the CFR. Includes french dressing (21 CFR 169.115), mayonnaise (21 CFR 169.140) and salad dressing (21 CFR 169.150). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0292 standardized dressing (us cfr) Candy prepared by cooking a mixture of water, sugars and optional ingredients to a temperature of 250 degrees F. or less. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0293 soft candy (us cfr) Food product having functional characteristics similar to a butter product; it may be nutritionally equivalent or inferior to the product it purports to resemble. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0294 butter substitute butter, imitation imitation butter butter product analog (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0300 flavor enhancer or flavoring flavoring or flavor enhancer (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0306 nut or seed product (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0308 supplemental formulation (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0309 therapeutic formulation dietary or therapeutic formulation (us cfr) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0356 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. European Union agency food product type An agency food product type is a class of food product defined by an agency or consortium. Damion Dooley http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0361 This class is designed to hold 3rd party food classification schemes which are being mapped to FoodOn classes using the 'has member' relation. The two hierarchies are not melded into a subclass polyhierarchy because of possible logical inconsistencies in the agency schemes. The hierarchies of agency schemes are as true to their agency representation as possible. agency food product type http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0777 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. eurofir food classification This category includes: carcass meat of mammals and birds; offal of mammals and birds; a food product whose predominant constituent is meat; a recipe dish whose main ingredient is considered to be meat. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0793 meat or meat product (eurofir) The group includes carcass meat of domestic animals (e.g. beef, veal, pork, mutton / lamb, horse, rabbit) and game (e.g. wild pig, boar, venison, whale). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A0794 red meat (eurofir) Food and Drugs, title 21, Code of Federal Regulations. Original food classification in LanguaL. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A1270 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. U.S. code of federal regulations, title 21 food product type https://www.ecfr.gov/cgi-bin/text-idx?SID=87f720ce0d0b6c4548f4bbfd1f8e4c3d&mc=true&tpl=/ecfrbrowse/Title21/21chapterI.tpl Index dietary/food supplements according to legal and market definitions. http://langual.org SUBSET_SIREN:F15918 http://www.langual.org/langual_thesaurus.asp?termid=A1298 food supplement nutritional supplement subset_siren LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. The United States defines dietary supplements in the Dietary Supplement Health and Education Act of 1994 (DSHEA). Pub L 103-417, 108 STAT. 4235, (Oct. 25, 1994): A dietary supplement is a product taken by mouth that contains a "dietary ingredient" intended to supplement the diet. The "dietary ingredients" in these products may include: vitamins, minerals, herbs or other botanicals, amino acids, and substances such as enzymes, organ tissues, glandulars, and metabolites. Dietary supplements can also be extracts or concentrates, and may be found in many forms such as tablets, capsules, softgels, gelcaps, liquids, or powders. In the European Union, food supplements are framed by two kinds of regulations: - the EU vertical regulation relating to food supplements, composed with the directive 2002/46/CE (essentially for the definition of food supplements) and the regulation 1170/2009 (which lists the vitamins and minerals, and the chemical forms of the substances allowed in food supplements); - the EU transversal regulation relating to foodstuffs and especially the 2006/1924 regulation concerning nutrition and health claims, and the EU labeling transversal regulations, 90/496/EC and 2008/100/EC. The EU regulation 2002/46/CE defines food supplements as "foodstuffs the purpose of which is to supplement the normal diet and which are concentrated sources of nutrients or other substances with a nutritional or physiological effect, alone or in combination, marketed in dose form, namely forms such as capsules, pastilles, tablets, pills and other similar forms, sachets of powder, ampoules of liquids, drop dispensing bottles, and other similar forms of liquids and powders designed to be taken in measured small unit quantities". [Directive 2002/46/EC] Codex Alimentarius also includes supplements containing vitamins or dietary minerals [http://www.codexalimentarius.net/download/standards/10206/cxg_055e.pdf] dietary supplement Yeast, algae, or fungus based dietary supplement. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A1306 LanguaL curation note: Use for supplements based on plants, yeast, algae, and fungi (index in facet B). If the supplement also contains vitamins or minerals use the appropriate descriptor under * DIETARY SUPPLEMENT, COMBINATION*. dietary supplement, botanical Probiotics are live microorganisms thought to be healthy for the host organism. According to the currently adopted definition by FAO/WHO, probiotics are selected "live microorganisms which when administered in adequate amounts confer a health benefit on the host".[FAO/WHO (2001) Health and Nutritional Properties of Probiotics in Food including Powder Milk with Live Lactic Acid Bacteria. Report of a Joint FAO/WHO Expert Consultation on Evaluation of Health and Nutritional Properties of Probiotics in Food Including Powder Milk with Live Lactic Acid Bacteria] Lactic acid bacteria (LAB) and bifidobacteria are the most common types of microbes used as probiotics; but also certain yeasts and bacilli are available. [http://en.wikipedia.org/wiki/Probiotics] WIKIPEDIA:Probiotics http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A1308 LanguaL curation note: Currently not used in US classification of dietary supplements. probiotic or bacteria supplement Includes hormone precursors; steroid precursors; 7-dehydrocholesterol, lutein, omega-3's, CoQ10 http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A1309 dietary supplement, metabolite or precursor Includes omega-3 supplements, fish oil capsules, evening primrose capsules. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A1310 LanguaL curation note: Currently not used in US classification of dietary supplements. fat or oil supplement FoodEx2 is a comprehensive food classification and description system aimed at covering the need to describe food in data collections across different food safety domains. After its first release in 2011, the system was broadly tested in various practical situations, allowing its evaluation and the identification of areas for improvement. The present version in LanguaL is based on the FoodEx2 version Matrix 9.0 dated 2018-01-26 (downloaded 2018-02-07) and comprises the FoodEx2 Exposure Hierarchy. The FoodEx2 browser and FoodEx2 catalogue are available at GitHub: https://github.com/openefsa/catalogue-browser/wiki For further information, see the Data Standardisation pages of the European Food Safety Authority website [https://www.efsa.europa.eu/en/data/data-standardisation]. The implementation of EFSA FoodEx2 facet term codes (FTC) in LanguaL follow closely the EFSA FoodEx2 codes; this means that the LanguaL facet term codes for all FoodEx2 descriptors are identical to the original EFSA FoodEx2 codes. EFSA FoodEx2 is top-down prioritised, meaning that descriptors physically higher in the hierarchy within the same level are preferred to descriptors further down, whereas LanguaL in general does not have a preferred order. In the implementation of EFSA FoodEx2 it has therefore been necessary to implement a forced order of the descriptors by preceeding the original FoodEx2 descriptor names by a numeric serialisation indicator (an order number). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A1895 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. efsa food classification and description system for exposure assessment (efsa foodex2) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1001 pea plant edible seed cultivars Examples of stem vegetables are kohlrabi, celery, fennel and rhubarb. Examples of shoot vegetables are asparagus, hop, bamboo shoots and taugé. A vegetable having shoot or stem which can be cooked and eaten. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1005 shoot vegetable spear vegetable stem or spear vegetable plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1006 fruit plant used as vegetable http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1012 sugar-producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1013 plant used for producing extract or concentrate http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1017 oil-producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1018 vegetable-producing plant, root, tuber or bulb An aquatic animal is an animal, either vertebrate or invertebrate, which lives in the water for most or all of its lifetime. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1021 This is equivalent to: 'fish (food source)' or 'shellfish (food source)' or 'crustacean (food source)' or 'echinoderm (food source)' or 'coelenterate (food source)' However, this disjunction appears to be a burden on reasoners, and so this is currently not implemented. fish or lower water animal http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1022 tropical or subtropical nut producing plant A flatfish is a member of the order Pleuronectiformes of ray-finned demersal fishes, also called the Heterosomata, sometimes classified as a suborder of Perciformes. In many species, both eyes lie on one side of the head, one or the other migrating through or around the head during development. Some species face their left sides upward, some face their right sides upward, and others face either side upward. [https://en.wikipedia.org/wiki/Flatfish] http://langual.org http://eol.org/pages/5168 http://www.langual.org/langual_thesaurus.asp?termid=B1023 flat-fish flat-fishes flatfish flatfish, flounder flounders pleuronectiformes fish, pleuronectiform http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1024 tropical or subtropical fruit producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1036 floret plant used as vegetable Any chemical or chemical mixture that exists in a food material or was added to a food material. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1041 LanguaL curation note: A chemical food component is a food substance derived from a nonliving source (e.g., salt, water or synthesized compounds). Note however that the LanguaL category includes additives which may be naturally derived, such as agar. chemical food component http://langual.org http://eol.org/pages/24776 http://www.langual.org/langual_thesaurus.asp?termid=B1043 scomber spp. mackerel http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1047 grain or seed-producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1048 carbohydrate-producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1049 protein-producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1057 vegetable-producing plant, above-ground parts *Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria.[https://en.wikipedia.org/wiki/Phaseolus_vulgaris] http://langual.org GRIN:27632 GRIN:312013 ITIS:26857 MANSFELD:27559 PLANTS:PHVU http://eol.org/pages/645324 http://www.langual.org/langual_thesaurus.asp?termid=B1060 Phaseolus vulgaris L. Phaseolus vulgaris var. vulgaris bush bean plant pole bean plant phaseolus vulgaris, edible pod cultivar (plant) *Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria.[https://en.wikipedia.org/wiki/Phaseolus_vulgaris] http://langual.org GRIN:27632 GRIN:312013 ITIS:26857 MANSFELD:27559 PLANTS:PHVU http://eol.org/pages/645324 http://www.langual.org/langual_thesaurus.asp?termid=B1061 Phaseolus vulgaris L. Phaseolus vulgaris var. vulgaris black bean (phaseolus) phaseolus vulgaris, edible seed cultivar (plant) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1062 temperate-zone nut producing plant *Rubus* is a large and diverse genus of flowering plants in the rose family, *Rosaceae*, subfamily *Rosoideae*, with 250-700 species. Raspberries, blackberries, and dewberries are common, widely distributed members of the genus. Most of these plants have woody stems with prickles like roses; spines, bristles, and gland-tipped hairs are also common in the genus. The Rubus fruit, sometimes called a bramble fruit, is an aggregate of drupelets. The term "cane fruit" (or "cane-fruit") applies to any Rubus species or hybrid which is commonly grown with supports such as wires or canes, including raspberries, blackberries, and hybrids such as loganberry, boysenberry, marionberry and tayberry. [https://en.wikipedia.org/wiki/Rubus] http://langual.org http://eol.org/pages/30108 http://www.langual.org/langual_thesaurus.asp?termid=B1121 rubus spp. bramble berry plant http://langual.org http://eol.org/pages/6893 http://www.langual.org/langual_thesaurus.asp?termid=B1124 clupeidae herring family Mammals (from Latin mamma "breast") are vertebrate animals constituting the class Mammalia, and characterized by the presence of mammary glands which in females produce milk for feeding (nursing) their young, a neocortex (a region of the brain), fur or hair, and three middle ear bones. Damion Dooley https://en.wikipedia.org/wiki/Mammal http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1134 mammal Suidae is a family of artiodactyl mammals which are commonly called pigs, hogs or boars. Damion Dooley https://en.wikipedia.org/wiki/Suidae http://langual.org In addition to numerous fossil species, 17 extant species are currently recognized (or 18 counting domestic pigs and wild boars separately), classified into between four and eight genera. The family includes the domestic pig, Sus scrofa domesticus or Sus domesticus, in addition to numerous species of wild pig, such as babirusas and warthogs. All suids, or swine, are native to the Old World, ranging from Asia to Europe and Africa. [Wikipedia] ITIS:180722 MSW3:14200054 http://eol.org/pages/328663 http://www.langual.org/langual_thesaurus.asp?termid=B1136 porcine sus domesticus sus scrofa sus scrofa domesticus Sus scrofa Linnaeus, 1758 hog pig swine Rutaceae, commonly known as the rue or citrus family, is a family of flowering plants, usually placed in the order Sapindales. Citrus is a common term and genus (*Citrus*) of flowering plants in the rue family, *Rutaceae*. Citrus is believed to have originated in the part of Southeast Asia bordered by Northeastern India, Myanmar (Burma) and the Yunnan province of China. Citrus fruit has been cultivated in an ever-widening area since ancient times; the best-known examples are the oranges, lemons, grapefruit, and limes. WIKIPEDIA:Rutaceae http://langual.org http://eol.org/pages/4414 http://www.langual.org/langual_thesaurus.asp?termid=B1139 rutaceae citrus family http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1140 fruit-producing plant Aquatic animals other than fish and shellfish http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1142 aquatic invertebrate animal (excluding shellfish) A legume is a plant or its fruit or seed in the family *Fabaceae* (or *Leguminosae*). Legumes are grown agriculturally, primarily for their grain seed called pulse, for livestock forage and silage, and as soil-enhancing green manure. Well-known legumes include alfalfa, clover, peas, beans, chickpeas, lentils, lupin bean, mesquite, carob, soybeans, peanuts and tamarind. [https://en.wikipedia.org/wiki/Legume] http://langual.org http://eol.org/pages/4277 http://www.langual.org/langual_thesaurus.asp?termid=B1156 fabaceae pod or seed vegetable plant Gadiformes are an order of ray-finned fish, also called the Anacanthini, that includes the cod and its allies. Many major food fish are in this order. They are found in marine waters throughout the world and the vast majority of the species are found in temperate or colder regions (tropical species are typically deep-water). A few species may enter estuaries but only one, the burbot (*Lota lota*), is a freshwater fish. [https://en.wikipedia.org/wiki/Gadiformes] http://langual.org http://eol.org/pages/5496 http://www.langual.org/langual_thesaurus.asp?termid=B1157 gadiformes fish, gadiform http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1174 edible seed producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1179 flavor-producing plant herb-producing plant spice or flavor-producing plant http://langual.org https://upload.wikimedia.org/wikipedia/commons/thumb/2/2c/Flock_of_sheep.jpg/316px-Flock_of_sheep.jpg http://eol.org/pages/39510 http://www.langual.org/langual_thesaurus.asp?termid=B1183 mutton (meat) ovis spp. sheep In the United Kingdom and the United States, "butter beans" refers to either dried beans which can be purchased to rehydrate, or the canned variety which are ready to use. In culinary use there, lima beans and butter beans are distinct, the latter being large and yellow, the former small and green. In areas where both are considered to be lima beans, the green variety may be labelled as "baby" (and less commonly "junior") limas. [https://en.wikipedia.org/wiki/Lima_bean] http://langual.org GRIN:27591 ITIS:26850 MANSFELD:27587 PLANTS:PHLU2 http://eol.org/pages/645300 http://www.langual.org/langual_thesaurus.asp?termid=B1185 Phaseolus lunatus L. baby lima bean plant Winter squash is an annual fruit representing several squash species within the genus Cucurbita. It differs from summer squash in that it is harvested and eaten in the mature fruit stage when the seeds within have matured fully and the skin has hardened into a tough rind. At this stage, most varieties of this fruit can be stored for use during the winter. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1189 curcurbita winter squash Cucurbita moschata Cucurbita pepo cucurbita maxima winter squash plant Californiacondor http://langual.org GRIN:12606 MANSFELD:4153 http://www.langual.org/langual_thesaurus.asp?termid=B1190 Cucurbita pepo L. cucurbita pepo yellow crookneck squash yellow squash summer squash plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1194 head vegetable plant A dairy cow is an adult female member of a dairy cattle breed http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1201 cow domesticated cattle dairy cow A plum is a fruit of the subgenus *Prunus* of the genus *Prunus*. The subgenus is distinguished from other subgenera (peaches, cherries, bird cherries, etc.) in the shoots having terminal bud and solitary side buds (not clustered), the flowers in groups of one to five together on short stems, and the fruit having a groove running down one side and a smooth stone (or pit). https://en.wikipedia.org/wiki/Plum http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1206 plum plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1208 squash plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1213 nut producing plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1220 Insecta insecta insect Fish are the gill-bearing aquatic craniate animals that lack limbs with digits. Most fish are ectothermic ("cold-blooded"), allowing their body temperatures to vary as ambient temperatures change, though some of the large active swimmers like white shark and tuna can hold a higher core temperature. Damion Dooley http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1222 fish A berry is a small, pulpy, and often edible fruit. Berries are typically juicy, rounded, brightly colored, sweet or sour, and do not have a stone or pit, although many pips or seeds may be present. Common examples are strawberries, raspberries, blueberries, red currants, and blackcurrants. The scientific usage of the term "berry" differs from common usage. In scientific terminology, a berry is a fruit produced from the ovary of a single flower in which the outer layer of the ovary wall develops into an edible fleshy portion (pericarp). The definition includes many fruits that are not commonly known as berries, such as grapes, tomatoes, cucumbers, eggplants (aubergines) and bananas. Fruits excluded by the botanical definition include strawberries, raspberries, and blackberries, which are aggregate fruits, and mulberries, which are multiple fruits. [https://en.wikipedia.org/wiki/Berry] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1231 berry plant http://langual.org GRIN:311987 ITIS:42269 MANSFELD:36372 PLANTS:ZEMA http://eol.org/pages/1115259 http://www.langual.org/langual_thesaurus.asp?termid=B1232 Zea mays L. maize zea mays LanguaL curation note: Use 'field corn' for any breakfast cereals or snack foods having 'corn' as the main ingredient. Zia mays plant The turkey is a large bird in the genus Meleagris, which is native to the Americas. Males of both turkey species have a distinctive fleshy wattle or protuberance that hangs from the top of the beak (called a snood). They are among the largest birds in their ranges. As in many galliformes, the male is larger and much more colorful than the female. http://langual.org http://eol.org/pages/18523 http://www.langual.org/langual_thesaurus.asp?termid=B1236 turkey meleagris spp. turkey (bird) http://langual.org http://eol.org/pages/2602479 http://www.langual.org/langual_thesaurus.asp?termid=B1237 caridea crangonidae palaemondidae penaeidae prawn shrimp The taxonomies given vary widely. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1250 capsicum capsicum annuum green or red pepper plant A member of the group of eukaryotic organisms in the kingdom Fungi that includes unicellular microorganisms such as yeasts and molds, as well as multicellular fungi that produce familiar fruiting forms known as mushrooms. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1261 fungi fungus BorgQueen http://langual.org GRIN:21739 MANSFELD:30720 http://www.langual.org/langual_thesaurus.asp?termid=B1268 Lens culinaris Medik. lens culinaris lentil plant Damion Dooley Thunnus is a genus of ocean-dwelling, ray-finned bony fish from the mackerel family, Scombridae. More specifically, Thunnus is one of five genera which make up the tribe Thunnini – a tribe that is collectively known as the tunas http://langual.org http://eol.org/pages/2804369 http://www.langual.org/langual_thesaurus.asp?termid=B1269 thunnini true tuna tuna http://langual.org GRIN:29890 ITIS:24775 MANSFELD:9421 http://eol.org/pages/231567 http://www.langual.org/langual_thesaurus.asp?termid=B1272 Prunus dulcis (Mill.) D. A. Webb Prunus dulcis (Mill.) D.A.Webb Prunus dulcis (P. Mill.) D.A. Webber prunus amygdalus prunus communis prunus dulcis LanguaL curation note: When indexing the almond fruit (drupe), index both *ALMOND [B2721]* and *FRUIT [C0167]* (or its more precise narrower terms). almond tree The word "tomato" may refer to the plant (*Solanum lycopersicum*) or the edible, typically red, fruit that it bears. Originating in South America, the tomato was spread around the world following the Spanish colonization of the Americas, and its many varieties are now widely grown, often in greenhouses in cooler climates.See also the list of tomato cultivars WIKIPEDIA:List_of_tomato_cultivars http://langual.org GRIN:101442 ITIS:521671 ITIS:529044 MANSFELD:6054 PLANTS:SOLY2 http://eol.org/pages/392557 http://www.langual.org/langual_thesaurus.asp?termid=B1276 Lycopersicon esculentum Mill. Lycopersicon esculentum var. esculentum P. Mill. Solanum lycopersicum L. gold apple love apple lycopersicon esculentum lycopersicon lycopersicum solanum lycopersicum tomato plant Kale (also called Borecole) is a form of cabbage (*Brassica oleracea* Acephala Group) in which the central leaves do not form a head. It is considered to be closer to wild cabbage than most domesticated forms. The species *Brassica oleracea* contains a wide array of vegetables, including broccoli, cauliflower, and Brussels sprouts. The Cultivar Group Acephala also includes spring greens and collard greens, which are extremely similar genetically. Kale can be classified by leaf type: Curly leaved (Scots kales), Plain leaved, Rape kale, Leaf and spear (a cross between curly leaved and plain leaved kale), Cavolo nero (also known as black cabbage, Tuscan kale, Lacinato and dinosaur kale) WIKIPEDIA:Kale) http://langual.org GRIN:319629 ITIS:23062 MANSFELD:23870 http://eol.org/pages/583899 http://www.langual.org/langual_thesaurus.asp?termid=B1281 Brassica oleracea L. Brassica oleracea L. var. sabellica L. Brassica oleracea var. sabellica L. brassica oleracea cole kale plant Melon is a name given to various members of the plant family *Cucurbitaceae* with sweet flavored, fleshy fruit e.g. gourds or cucurbits. Melon can be referred as a plant or a fruit. Many different cultivars have been produced, particularly of muskmelons. WIKIPEDIA:Melon http://langual.org http://eol.org/pages/38795 http://www.langual.org/langual_thesaurus.asp?termid=B1283 cucumis spp. melon plant The *Arecaceae* are a botanical family of perennial climbers, shrubs, acaules and trees commonly known as palm trees (owing to historical usage, the family is alternatively called Palmae). They are flowering plants, a family in the monocot order Arecales. Currently 181 genera with around 2600 species are known, most of them restricted to tropical and subtropical climates. Arecaceae have great economic importance, including coconut products, oils, dates, palm syrup, ivory nuts, carnauba wax, rattan cane, raffia, and palm wood. [https://en.wikipedia.org/wiki/Arecaceae] http://langual.org http://eol.org/pages/8193 http://www.langual.org/langual_thesaurus.asp?termid=B1286 arecaceae palm plant A vertebrate animal is any species of organism within the subphylum Vertebrata (chordates with backbones). Vertebrates represent the overwhelming majority of the phylum Chordata, with currently about 69,276 species described. Damion Dooley http://langual.org animal http://www.langual.org/langual_thesaurus.asp?termid=B1297 LanguaL curation note: For a unicellular animal, use *ALGAE OR FUNGUS USED AS FOOD SOURCE*. vertebrate animal http://langual.org GRIN:25555 MANSFELD:11672 http://www.langual.org/langual_thesaurus.asp?termid=B1299 Olea europaea L. manzanilla olive olea europaea olive plant The onion (*Allium cepa *L), also known as the bulb onion or common onion, is a vegetable that is the most widely cultivated species of the genus *Allium*. Its close relatives include the garlic, shallot, leek, chive,[2] and Chinese onion. This genus also contains several other species variously referred to as onions and cultivated for food, such as the Japanese bunching onion (*Allium fistulosum*), the tree onion (*A. ×proliferum*), and the Canada onion (*Allium canadense*). The name "wild onion" is applied to a number of *Allium* species, but *A. cepa* is exclusively known from cultivation. [https://en.wikipedia.org/wiki/Onion] http://langual.org GRIN:300022 PLANTS:ALLIU http://eol.org/pages/8187 http://www.langual.org/langual_thesaurus.asp?termid=B1300 Allium Allium L. Allium sp. allium spp. bulb onion cebolla garden onion onion plant The beet (*Beta vulgaris*) is a plant in the Chenopodiaceae family which is now included in *Amaranthaceae* family. It is best known in its numerous cultivated varieties, the most well known of which is the root vegetable known as the beetroot or garden beet. However, other cultivated varieties include the leaf vegetables chard and spinach beet, as well as the root vegetables sugar beet, which is important in the production of table sugar, and mangelwurzel, which is a fodder crop. Three subspecies are typically recognised. All cultivated varieties fall into the subspecies *Beta vulgaris* subsp. *vulgaris*, while *Beta vulgaris* subsp. *maritima*, commonly known as the sea beet, is the wild ancestor of these, and is found throughout the Mediterranean, the Atlantic coast of Europe, the Near East, and India. A second wild subspecies, *Beta vulgaris* subsp. *adanensis*, occurs from Greece to Syria. WIKIPEDIA:Beta_vulgaris http://langual.org GRIN:300073 ITIS:20681 PLANTS:BEVU2 http://eol.org/pages/585884 http://www.langual.org/langual_thesaurus.asp?termid=B1309 common beet Beta vulgaris L. beetroot beta vulgaris beet plant Wheat (*Triticum* spp.) is a domesticated grass from the Levant that is cultivated worldwide. Major cultivated species of wheat: * Common wheat or Bread wheat (*Triticum aestivum*) A hexaploid species that is the most widely cultivated in the world. * Durum (*Triticum durum*) The only tetraploid form of wheat widely used today, and the second most widely cultivated wheat. * Einkorn (*Triticum monococcum*) A diploid species with wild and cultivated variants. Domesticated at the same time as emmer wheat, but never reached the same importance. * Emmer (*Triticum dicoccon*) A tetraploid species, cultivated in ancient times but no longer in widespread use. * Spelt (*Triticum spelta*) Another hexaploid species cultivated in limited quantities. WIKIPEDIA:Wheat http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1312 triticum spp. wheat plant http://langual.org GRIN:400137 MANSFELD:5328 http://www.langual.org/langual_thesaurus.asp?termid=B1318 Theobroma cacao L. theobroma cacao cacao plant *Oryza sativa*, commonly known as Asian rice, is the plant species most commonly referred to in English as rice. *Oryza sativa* contains two major subspecies: the sticky, short-grained *japonica* or *sinica* variety, and the nonsticky, long-grained *indica* variety. http://langual.org GRIN:26077 ITIS:41976 MANSFELD:20986 PLANTS:ORSA http://eol.org/pages/1115098 http://www.langual.org/langual_thesaurus.asp?termid=B1322 lowland rice upland rice Rice occurs in a variety of colors, including white, brown, black, purple, and red rices. Black rice (also known as purple rice) is a range of rice types, some of which are glutinous rice. Varieties include Indonesian black rice and Thai jasmine black rice. rice plant Any grass cultivated (grown) for the edible components of its grain. Damion Dooley http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1324 grain plant *Vitis* (grapevines) is a genus of 79 accepted species of vining plants in the flowering plant family *Vitaceae*. The genus is made up of species predominantly from the Northern hemisphere. It is economically important as the source of grapes, both for direct consumption of the fruit and for fermentation to produce wine. [https://en.wikipedia.org/wiki/Vitis] http://langual.org http://eol.org/pages/38383 http://www.langual.org/langual_thesaurus.asp?termid=B1329 Vitis vitis spp. grape plant http://langual.org GRIN:300472 MANSFELD:30744 http://www.langual.org/langual_thesaurus.asp?termid=B1338 Pisum sativum L. green pea plant lathyrus l. pisum l. pea plant The pear tree and shrub are a species of genus Pyrus, in the family Rosaceae, bearing the pomaceous fruit of the same name. Several species of pear are valued for their edible fruit and juices while others are cultivated as trees. https://en.wikipedia.org/wiki/Pear http://langual.org GRIN:30474 ITIS:25295 MANSFELD:8689 PLANTS:PYCO http://eol.org/pages/414311 http://www.langual.org/langual_thesaurus.asp?termid=B1344 Pyrus communis L. pyrus communis pear plant Yeasts are eukaryotic micro-organisms classified in the kingdom *Fungi*, with 1,500 species currently described estimated to be only 1% of all fungal species. WIKIPEDIA:Yeast http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1345 yeast http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1365 osteichthyes fish, bony http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1371 snap bean plant string bean plant stringless bean plant green bean plant Crustaceans form a large, diverse arthropod taxon which includes such familiar animals as crabs, lobsters, crayfish, shrimp, krill, woodlice, and barnacles. [https://en.wikipedia.org/wiki/Crustacean] http://langual.org http://eol.org/pages/2598871 http://www.langual.org/langual_thesaurus.asp?termid=B1374 crustacea crustacean Collard greens are various loose-leafed cultivars of *Brassica oleracea* (Acephala Group), the same species as cabbage and broccoli. The plant is grown for its large, dark-colored, edible leaves and as a garden ornamental, mainly in Brazil, Portugal, the southern United States, many parts of Africa, Montenegro, Bosnia and Herzegovina, southern Croatia, Spain and in Pakistan, as well as in Kashmir region of both India and Pakistan. They are classified in the same cultivar group as kale and spring greens, to which they are closely similar genetically. The name "collard" is a shortened form of the word "colewort" (cabbage plant). WIKIPEDIA:Borekale http://langual.org CCPR: GRIN:7679 http://eol.org/pages/4219 http://www.langual.org/langual_thesaurus.asp?termid=B1385 Brassica oleracea L. var. viridis L. borekale brassica oleracea var. viridis cow cabbage fodder kale portuguese kale collard plant http://langual.org http://eol.org/pages/29917 http://www.langual.org/langual_thesaurus.asp?termid=B1393 fragaria spp. strawberry plant *Phaseolus lunatus*, commonly known as the lima bean, butter bean, sieva bean, or Madagascar bean[citation needed], is a legume grown for its edible seeds or beans. https://en.wikipedia.org/wiki/Lima_bean http://langual.org GRIN:27591 GRIN:300449 ITIS:26850 MANSFELD:27587 PLANTS:PHLU2 http://eol.org/pages/645300 http://www.langual.org/langual_thesaurus.asp?termid=B1397 butter bean plant madagascar bean plant phaseolus lunatus Phaseolus lunatus L. Phaseolus lunatus L. var. lunatus phaseolus limensis lima bean plant Cabbage or headed cabbage (comprising several cultivars of Brassica oleracea) is a leafy blue, red (purple), or white (pale blue) biennial plant grown as an annual vegetable crop for its dense-leaved heads. https://en.wikipedia.org/wiki/Cabbage http://langual.org GRIN:7668 ITIS:23062 ITIS:526963 PLANTS:BROL http://eol.org/pages/583899 http://www.langual.org/langual_thesaurus.asp?termid=B1406 Brassica oleracea L. Brassica oleracea var. oleracea L. brassica oleracea varieties cabbage plant Hard wheat (red or white) are varieties of common wheat with high protein (gluten) content used for bread. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1418 bread wheat triticum aestivum hard wheat plant http://langual.org http://eol.org/pages/13122 http://www.langual.org/langual_thesaurus.asp?termid=B1423 gadus spp. cod The *Scombridae* family of the mackerels, tunas, and bonitos includes many of the most important and familiar food fishes. The family consists of 51 species in 15 genera and two subfamilies. All species are in the subfamily *Scombrinae*, except the butterfly kingfish, which is the sole member of subfamily *Gasterochismatinae*. [https://en.wikipedia.org/wiki/Scombridae] http://langual.org http://eol.org/pages/5210 http://www.langual.org/langual_thesaurus.asp?termid=B1426 scombridae mackerel family The term shellfish is used both broadly and specifically. For regulatory purposes it is often narrowly defined as filter-feeding molluscs such as clams, mussels, and oyster to the exclusion of crustaceans and all else. Although their shells may differ, all shellfish are invertebrates. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1433 Covers both freshwater and saltwater organisms shellfish Broccoli is a plant in the cabbage family, whose large flower head is used as a vegetable. The word broccoli, from the Italian plural of broccolo, refers to "the flowering top of a cabbage". Broccoli is usually boiled or steamed, but may be eaten raw and has become popular as a raw vegetable in hors d'oeuvre trays. Broccoli is classified in the *Italica* cultivar group of the species *Brassica oleracea*. Broccoli has large flower heads, usually green in color, arranged in a tree-like fashion on branches sprouting from a thick, edible stalk. The mass of flower heads is surrounded by leaves. Broccoli most closely resembles cauliflower, which is a different cultivar group of the same species. WIKIPEDIA:Broccoli http://langual.org GRIN:105447 ITIS:530957 MANSFELD:37506 PLANTS:BROLB http://eol.org/pages/4219 http://www.langual.org/langual_thesaurus.asp?termid=B1443 Brassica oleracea L. var. botrytis L. Brassica oleracea L. var. italica Plenck Brassica oleracea var. botrytis L. brassica oleracea l. convar. botrytis var. italica brassica oleracea var. botrytis brassica oleracea var. italica broccoli plant http://langual.org ITIS:176086 http://eol.org/pages/1049263 http://www.langual.org/langual_thesaurus.asp?termid=B1457 Gallus gallus (Linnaeus, 1758) chicken The zucchini or courgette is a summer squash which can reach nearly a meter in length, but which is usually harvested at half that size or less. Along with certain other squashes, it belongs to the species Cucurbita pepo. Zucchini can be dark or light green. A related hybrid, the golden zucchini, is a deep yellow or orange color. courgette cucurbita pepo var. melopepo cv. zucchini zucchini plant The European cantaloupe is lightly ribbed, with a gray-green skin that looks quite different from that of the North American cantaloupe. C. melo var. cantalupensis Cucumis melo L. subsp. melo var. cantalupensis Naudin Cucumis melo cantalupensis european cantaloupe plant Scallop is a common name that is primarily applied to any one of numerous species of saltwater clams or marine bivalve mollusks in the taxonomic family Pectinidae, the scallops. However, the common name "scallop" is also sometimes applied to species in other closely related families within the superfamily Pectinoidea, which also includes the thorny oysters. Damion Dooley https://en.wikipedia.org/wiki/Scallop http://langual.org http://eol.org/pages/2249 http://www.langual.org/langual_thesaurus.asp?termid=B1489 pectinidae Argopecten irradians Pecten laquaetus pecten aequiscleatus scallop Blueberries are flowering plants of the genus *Vaccinium* (a genus which also includes cranberries and bilberries) with dark-blue berries and are perennial. Species in the section Cyanococcus are the most common fruits sold as "blueberries" and are native to North America (they were not introduced into Europe until the 1930s). WIKIPEDIA:Blueberry http://langual.org http://eol.org/pages/4267 http://www.langual.org/langual_thesaurus.asp?termid=B1491 Vaccinium L. vaccinium spp. cyanococcus group blueberry plant The raspberry is the edible fruit of a number of species of the genus *Rubus*. The name originally refers in particular to the European species Rubus idaeus, and is still used for that species as its standard English name in its native area. Other species, mostly closely related in the same subgenus Idaeobatus, also called raspberries subsequently include: * Rubus strigosus (American Raspberry) (syn. R. idaeus var. strigosus) * Rubus arcticus (Arctic Raspberry) * Rubus crataegifolius (Korean Raspberry) * Rubus occidentalis (Black Raspberry) * Rubus odoratus (Flowering Raspberry) * Rubus phoenicolasius (Wine Raspberry) * Rubus leucodermis (Whitebark or Western Raspberry, native: Blue Raspberry) WIKIPEDIA:Raspberry http://langual.org PLANTS:RUBUS http://eol.org/pages/8097 http://www.langual.org/langual_thesaurus.asp?termid=B1494 Rubus L. rubus raspberry plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1505 homarus spp. panulirus spp. lobster http://langual.org Hippoglossus http://eol.org/pages/23978 http://www.langual.org/langual_thesaurus.asp?termid=B1532 hippoglossus spp. reinhardtius spp. halibut In botany, a drupe is a fruit in which an outer fleshy part (exocarp, or skin; and mesocarp, or flesh) surrounds a shell (the pit, stone or pyrene) of hardened endocarp with a seed inside. WIKIPEDIA:Drupe http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1539 drupe pit fruit stone fruit plant *Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria.[https://en.wikipedia.org/wiki/Phaseolus_vulgaris] http://langual.org GRIN:27632 GRIN:312013 ITIS:26857 MANSFELD:27559 PLANTS:PHVU http://eol.org/pages/645324 http://www.langual.org/langual_thesaurus.asp?termid=B1555 Phaseolus vulgaris L. Phaseolus vulgaris L. ssp. vulgaris Phaseolus vulgaris var. vulgaris phaseolus vulgaris plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1558 pilchard sardina sardinops sardine This "or" class is just to represent an equivalency with a commonly used classification outside of FoodOn. It should not have subclasses under it. (2022-11-30) http://langual.org https://orcid.org/0000-0002-9578-0788 http://www.langual.org/langual_thesaurus.asp?termid=B1563 fjerkrae gamebird fowl game birds poultry or game bird This is a hierarchy of organisms, grouped minimally in a combination of taxonomy and consumer-oriented food groups. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1564 This was LanguaL definition: Individual plant or animal from which the food product or its major ingredient is derived; also a chemical food source [FDA CFSAN 1995]. food product organismal source Leaf vegetables, also called leafy greens, salad greens, pot herbs, vegetable greens, or simply greens, are plant leaves eaten as a vegetable, sometimes accompanied by tender petioles and shoots. https://en.wikipedia.org/wiki/Leaf_vegetable http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1566 leafy green leafy vegetable plant A bean plant is one of several genera of the flowering plant family Fabaceae, which has seed pods, seeds, and/or leaf material used for human or animal food. https://en.wikipedia.org/wiki/Bean http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1567 bean plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1579 vegetable-producing plant Perciformes, also called the Percomorpha or Acanthopteri, are the most numerous order of vertebrates, containing about 41% of all bony fish. Perciformes means "perch-like". They belong to the class of ray-finned fish, and comprise over 10,000 species found in almost all aquatic ecosystems. The order contains about 160 families, which is the most of any order within the vertebrates. [https://en.wikipedia.org/wiki/Perciformes] http://langual.org http://eol.org/pages/5184 http://www.langual.org/langual_thesaurus.asp?termid=B1581 perciformes fish, perciform A type of fruit produced by flowering plants in the subfamily *Maloideae* of the family *Rosaceae*. Damion Dooley http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1599 maloideae pome fruit plant Clupeiformes is the order of ray-finned fish that includes the herring family, *Clupeidae*, and the anchovy family, *Engraulidae*. The group includes many of the most important forage and food fish. [https://en.wikipedia.org/wiki/Clupeiformes] http://langual.org http://eol.org/pages/3190 http://www.langual.org/langual_thesaurus.asp?termid=B1601 clupeiformes fish, clupeiform http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1607 nut or edible seed producing plant http://langual.org GRIN:7675 ITIS:530959 MANSFELD:23884 PLANTS:BROLG http://eol.org/pages/4219 http://www.langual.org/langual_thesaurus.asp?termid=B1611 Brassica oleracea L. var. gemmifera DC. Brassica oleracea L. var. gemmifera Zenker Brassica oleracea var. gemmifera (DC.) Zenker Brassica oleracea var. gemmifera DC. brassica oleracea var. gemmifera brussels sprout plant http://langual.org http://eol.org/pages/38372 http://www.langual.org/langual_thesaurus.asp?termid=B1614 vaccinium spp. vaccinium berry plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1643 capsicum annuum, longum group capsicum chile pepper cayenne pepper chile pepper chili pepper long pepper red pepper (chile pepper) hot pepper plant In general, a sheep in its first year is called a lamb and its meat is also called lamb. https://en.wikipedia.org/wiki/Lamb_and_mutton http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1669 lamb Ginseng is any one of 11 species of slow-growing perennial plants with fleshy roots, belonging to the genus *Panax* of the family *Araliaceae*. WIKIPEDIA:Ginseng http://langual.org http://eol.org/pages/5432 http://www.langual.org/langual_thesaurus.asp?termid=B1673 panax ginseng plant A mature female chicken (usually more than 10 months of age) with meat less tender than that of a roaster, and with a nonflexible breastbone tip. http://langual.org hen http://www.langual.org/langual_thesaurus.asp?termid=B1713 stewing chicken stewing hen chicken hen http://langual.org http://eol.org/pages/5503 http://www.langual.org/langual_thesaurus.asp?termid=B1835 gadidae cod family http://langual.org http://eol.org/pages/5173 http://www.langual.org/langual_thesaurus.asp?termid=B1856 pleuronectidae righteye flounder family The Decapoda or decapods (literally "ten-footed") are an order of crustaceans within the class Malacostraca, including many familiar groups, such as crayfish, crabs, lobsters, prawns, and shrimp. Most decapods are scavengers. [https://en.wikipedia.org/wiki/Decapoda] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B1998 decapoda decapod *Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria. https://en.wikipedia.org/wiki/Phaseolus_vulgaris http://langual.org GRIN:27632 GRIN:312013 ITIS:26857 MANSFELD:27559 PLANTS:PHVU http://eol.org/pages/645324 http://www.langual.org/langual_thesaurus.asp?termid=B1999 Phaseolus vulgaris L. Phaseolus vulgaris var. vulgaris phaseolus vulgaris pink bean small white bean yellow bean common bean plant *Ascomycota* is a Division/Phylum of the kingdom *Fungi* that, together with the *Basidiomycota*, form the subkingdom *Dikarya*. Its members are commonly known as the sac fungi. They are the largest phylum of *Fungi*, with over 64,000 species. The *ascomycetes* are a monophyletic group, i.e., all of its members trace back to one common ancestor. This group is of particular relevance to humans as sources for medicinally important compounds, such as antibiotics and for making bread, alcoholic beverages, and cheese, but also as pathogens of humans and plants. Familiar examples of sac fungi include morels, truffles, brewer's yeast and baker's yeast, dead man's fingers, and cup fungi. WIKIPEDIA:Ascomycota http://langual.org http://eol.org/pages/5577 http://www.langual.org/langual_thesaurus.asp?termid=B2034 ascomycete ascomycota ascomycotina ascos dematiaceae plectascales protascales sac fungi ascomycetes Mustards are several plant species in the genera *Brassica* and *Sinapis* whose small mustard seeds are used as a spice and, by grinding and mixing them with water, vinegar or other liquids, are turned into the condiment known as mustard or prepared mustard. The seeds are also pressed to make mustard oil, and the edible leaves can be eaten as mustard greens. WIKIPEDIA:Mustard_plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2069 brassica spp. sinapis spp. mustard plant Cucurbita (Latin for gourd) is a genus of herbaceous vines in the gourd family, Cucurbitaceae, also known as cucurbits, native to the Andes and Mesoamerica. Five species are grown worldwide for their edible fruit, variously known as squash, pumpkin, or gourd depending on species, variety, and local parlance, and for their seeds. http://langual.org GRIN:12957 MANSFELD:4048 http://www.langual.org/langual_thesaurus.asp?termid=B2091 Cucurbita maxima L. (Duch.) pumpkin plant cucurbita spp. pumpkin, squash or gourd squash, gourd or pumpkin plant *Mollusca* is a large phylum of invertebrate animals whose members are known as molluscs or mollusks. Molluscs are the largest marine phylum, comprising about 23% of all the named marine organisms. Numerous molluscs also live in freshwater and terrestrial habitats. [https://en.wikipedia.org/wiki/Mollusca] http://langual.org EC:No 216/2009 MOL FAO ASFIS:MOL http://eol.org/pages/2195 http://www.langual.org/langual_thesaurus.asp?termid=B2112 Mollusca mollusk mollusc *Bivalvia*, in previous centuries referred to as the *Lamellibranchiata* and *Pelecypoda*, is a class of marine and freshwater molluscs that have laterally compressed bodies enclosed by a shell consisting of two hinged parts. Bivalves as a group have no head and they lack some usual molluscan organs like the radula and the odontophore. They include the clams, oysters, cockles, mussels, scallops, and numerous other families that live in saltwater, as well as a number of families that live in freshwater.[https://en.wikipedia.org/wiki/Bivalvia] http://langual.org http://eol.org/pages/2215 http://www.langual.org/langual_thesaurus.asp?termid=B2113 bivalvia lamellibranchiata pelecypod pelecypoda bivalve Echinoderm is the common name given to any member of the phylum *Echinodermata* of marine animals. The adults are recognizable by their (usually five-point) radial symmetry, and include such well-known animals as sea stars, sea urchins, sand dollars, and sea cucumbers, as well as the sea lilies or "stone lilies". [https://en.wikipedia.org/wiki/Echinoderm] http://langual.org EC:No 1637/2001 ECH FAO ASFIS:ECH http://www.langual.org/langual_thesaurus.asp?termid=B2115 Echinodermata Echinodermata Klein, 1734 echinodermata echinoderm http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2126 tea or coffee plant coffee or tea plant *Coelenterata* is an obsolete term encompassing the animal phyla *Cnidaria* (coral animals, true jellies, sea anemones, sea pens, and their allies) and *Ctenophora* (comb jellies). [https://en.wikipedia.org/wiki/Coelenterata] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2409 coelenterata coelenterate http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2559 pepper, poblano poblano pepper plant The bell pepper (also known as sweet pepper or pepper in the United Kingdom, Canada and Ireland, and capsicum in Australia, India, Pakistan, Bangladesh, Singapore and New Zealand) is a cultivar group of the species *Capsicum annuum*. Bell peppers are sometimes grouped with less pungent pepper varieties as "sweet peppers". [https://en.wikipedia.org/wiki/Bell_pepper] http://langual.org GRIN:311784 GRIN:8904 ITIS:30492 MANSFELD:6120 PLANTS:CAAN4 http://eol.org/pages/581098 http://www.langual.org/langual_thesaurus.asp?termid=B2628 sweet pepper plant Capsicum annuum L. Capsicum anuum L. capsicum frutescens var. grossum bell pepper plant Unripe fruit of red or yellow bell pepper varieties. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2629 green pepper plant green bell pepper plant Ripe fruit of red bell pepper varieties. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2630 red bell sweet pepper plant red sweet pepper plant LanguaL curation note: Do not confuse with *RED PEPPER*. red bell pepper plant Ripe fruit of yellow bell pepper varieties. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2631 yellow bell pepper plant Grouped together because of similar use. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2633 paprika, hot red pepper (pungent pepper variety) pungent pepper variety plant This section and its narrover terms refer to the European Commission food additive regulation according to COMMISSION REGULATION (EU) No 1129/2011 of 11 November 2011 amending Annex II to Regulation (EC) No 1333/2008 of the European Parliament and of the Council by establishing a Union list of food additives [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2011:295:0001:0177:EN:PDF] and its basis, the four Food Additive Directives: the EEC Framework Directive on Food Additives (89/107/EEC), the Directive on colours (94/36/EC), the Directive on sweeteners (94/35/EC) and the 'miscellaneous' Directive (95/2/EC) plus amendments [http://ec.europa.eu/food/fs/sfp/flav_index_en.html] and/or Codex Alimentarius Commission General Standard for Food Additives (CODEX STAN 192, revised 2011) [http://www.codexalimentarius.net/download/standards/4/CXS_192e.pdf]. If used for food supplement substances, thissection and its narrover terms refer to the European Commission regulation in general [http://ec.europa.eu/food/food/labellingnutrition/supplements/index_en.htm] and specifically to the EC Directive on the approximation of the laws of the Members States relating to food supplements (2002/46/EC) [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF]. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2972 Damion Dooley's note: manysubclasses here are currently originating from LanguaL additives that have not yet been matched to CHEBI ontology terms. If matches are possible they will be implemented over time, at which point the corresponding FoodOn id's will be deprecated. food additive http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3357 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. plant according to family http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3358 feed plant fodder fodder plant forage plant used as fodder http://langual.org CCPR: GRIN:30008 GRIN:300085 PLANTS:BRASS2 http://eol.org/pages/4219 http://www.langual.org/langual_thesaurus.asp?termid=B3372 Brassica Brassica L. Brassica sp. Brassica spp. brassica spp. brassica species http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3391 tropical or subtropical fruit - inedible peel plant Yam is the common name for some plant species in the genus *Dioscorea* (family *Dioscoreaceae*) that form edible tubers. Yams are perennial herbaceous vines cultivated for the consumption of their starchy tubers in many temperate and subtropical world regions. The tubers themselves are also called "yams", having numerous cultivars. In parts of the United States and Canada, "yam" is sometimes used to refer to varieties of the completely unrelated sweet potato (*Ipomoea batatas*).[https://en.wikipedia.org/wiki/Yam_(vegetable)] http://langual.org CCPR: GRIN:300191 http://eol.org/pages/8214 http://www.langual.org/langual_thesaurus.asp?termid=B3396 Dioscorea L. dioscorea spp. dioscoreaceae yam plant http://langual.org GRIN:40544 GRIN:410383 ITIS:42237 MANSFELD:34204 PLANTS:TRAE http://eol.org/pages/1115240 http://www.langual.org/langual_thesaurus.asp?termid=B3507 Triticum aestivum L. Triticum aestivum subsp. aestivum triticum aestivum common wheat plant This section list vitamins and mineral substances which may be used in the manufacture of food supplements. DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3749 food supplements, vitamin and mineral substances (ec) DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF] and its amendments COMMISSION DIRECTIVE 2006/37/EC [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2006:094:0032:0033:EN:PDF] and COMMISSION REGULATION (EC) No 1170/2009 [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2009:314:0036:0042:EN:PDF]. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3751 food supplements, vitamin substances (ec) http://langual.org http://eol.org/pages/25172 http://www.langual.org/langual_thesaurus.asp?termid=B3989 thunnus spp. albacore and tuna http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4168 plant used for dietary supplements Melons with netted skin. WIKIPEDIA:Melon http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4221 Cucumis melo L. var. reticulatus Ser. true muskmelon plant The North American cantaloupe, common in the United States, Mexico, and in some parts of Canada, has a net-like (or reticulated) skin covering. It is a round melon with firm, orange, moderately sweet flesh and a thin, reticulated, light-brown rind. Varieties with redder and yellower flesh exist but are not common in the U.S. market. WIKIPEDIA:Cantaloupe http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4222 north american cantaloupe plant *Allium* is a genus of monocotyledonous flowering plants that includes hundreds of species, including the cultivated onion, garlic, scallion, shallot, leek, and chives. [https://en.wikipedia.org/wiki/Allium] http://langual.org http://eol.org/pages/8187 http://www.langual.org/langual_thesaurus.asp?termid=B4302 allium onion wild onion allium species Species belonging to the taxonomic group *Avena* spp. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4319 avena spp. oat plant The biological subfamily *Bovinae* includes a diverse group of 10 genera of medium- to large-sized ungulates, including domestic cattle, the bison, African buffalo, the water buffalo, the yak, and the four-horned and spiral-horned antelopes. The evolutionary relationship between the members of the group is obscure, and their classification into loose tribes rather than formal subgroups reflects this uncertainty. General characteristics include cloven hoofs and usually at least one of the sexes of a species having true horns. WIKIPEDIA:Bovinae http://langual.org http://eol.org/pages/2851454 http://www.langual.org/langual_thesaurus.asp?termid=B4374 bovinae bovine A bovid (family *Bovidae*) is any of almost 140 species of cloven-hoofed, ruminant mammal which has males with characteristic unbranching horns covered in a permanent sheath of keratin. The family is widespread, being native to Asia, Africa, Europe and North America, and diverse: members include bison, African buffalo, water buffalo, antelopes, gazelles, sheep, goats, muskoxen, and domestic cattle. WIKIPEDIA:Bovidae http://langual.org http://eol.org/pages/7687 http://www.langual.org/langual_thesaurus.asp?termid=B4381 bovidae bovid *Cucumis* is a genus of twining, tendril-bearing plants in the *Cucurbitaceae* family which includes the cucumber (*Cucumis sativus*), muskmelons (*Cucumis melo*, including cantaloupe and honeydew), the horned melon (*Cucumis metuliferus*), and the West Indian gherkin (*Cucumis anguria*). [https://en.wikipedia.org/wiki/Cucumis] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4459 cucumis species The *Cucurbitaceae*, also called cucurbits and the gourd family, are a plant family consisting of about 965 species in around 95 genera, the most important of which are: *Cucurbita* - squash, pumpkin, zucchini, some gourds; *Lagenaria* - calabash, and others that are inedible; *Citrullus* - watermelon (*C. lanatus, C. colocynthis*) and others; *Cucumis* - cucumber (*C. sativus*), various melons; *Luffa* - luffa, loofah http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4460 cucurbitaceae gourd/squash family Tunicates, previously known as *Urochordata* or urochordates, are members of the *Tunicata*, a subphylum of the phylum *Chordata*. They are marine filter feeders with a saclike morphology. In their respiration and feeding they take in water through an incurrent (or inhalant) siphon and expel the filtered water through an excurrent (or exhalant) siphon. Most adult tunicates are sessile and attached to rocks or similarly suitable surfaces on the ocean floor; others such as salps, doliolids and pyrosomes swim in the pelagic zone as adults. Various species are commonly known as sea squirts or sea pork. WIKIPEDIA:Tunicate http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4466 oopah sea squirt tunicata tunicate *Ipomoea* is the largest genus in the flowering plant family *Convolvulaceae*, with over 500 species. It is a large and diverse group with common names including morning glory, water convolvulus or kangkung, sweet potato, bindweed, moonflower, etc. [https://en.wikipedia.org/wiki/Ipomoea] http://langual.org GRIN:300283 PLANTS:IPOMO http://eol.org/pages/4431 http://www.langual.org/langual_thesaurus.asp?termid=B4741 Ipomoea Ipomoea L. Ipomoea spp. birdweed ipomoea spp. kangkung moonflower sweet potato water convolvulus morning-glory family Invertebrates are animals that neither possess nor develop a vertebral column (commonly known as a backbone or spine), derived from the notochord. This includes all animals apart from the subphylum *Vertebrata*. Familiar examples of invertebrates include insects; crabs, lobsters and their kin; snails, clams, octopuses and their kin; starfish, sea-urchins and their kin; jellyfish, and worms. [https://en.wikipedia.org/wiki/Invertebrate] Terrestrial invertebrates include ants, flies, crickets, grasshoppers and spiders. [https://en.wikipedia.org/wiki/Terrestrial_animal] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B4899 insect invertebrate, land land snail terrestrial invertebrate The *Solanaceae*, or nightshades, are an economically important family of flowering plants. Many members of the family contain potent alkaloids, and some are highly toxic, but many, including tomatoes, potatoes, eggplant, bell/chili peppers, and tobacco are widely used. The *Solanaceae* consists of about 98 genera and some 2,700 species, with a great diversity of habitats, morphology and ecology. [https://en.wikipedia.org/wiki/Solanaceae] http://langual.org http://eol.org/pages/4437 http://www.langual.org/langual_thesaurus.asp?termid=B4934 nightshade family solanaceae plant *Solanum* is a large and diverse genus of flowering plants, which include two food crops of high economic importance, the potato and the tomato. It also contains the nightshades and horse nettles, as well as numerous plants cultivated for their ornamental flowers and fruit. *Solanum* species show a wide range of growing habits, such as annual and perennials, vines, subshrubs, shrubs, and small trees. Many formerly independent genera like *Lycopersicon* (the tomatoes) and *Cyphomandra* are now included in *Solanum* as subgenera or sections. Thus, the genus today contains roughly 1,500-2,000 species. http://langual.org GRIN:300568 PLANTS:SOLAN http://eol.org/pages/4437 http://www.langual.org/langual_thesaurus.asp?termid=B5104 Solanum Solanum L. Solanum spp. solanum plant Edible flesh of any type of animal, including poultry and seafood. Excludes parts containing only animal fat, which is indexed under *FAT OR OIL* or under *FAT, TRIM*. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0103 Damion Dooley Feb 6, 2017: Good meat cut resources to incorporate for Canada: The CFIA Meat Cuts Manual http://www.inspection.gc.ca/food/labelling/meat-cuts/eng/1300126276015/1300126372856 meat part of animal A broad term that includes the nutritive sweeteners dextrose, fructose, galactose, lactose, maltose and sucrose, which are simple carbohydrates with molecules composed of one or two saccharide units. Note that on a product label or in a recipe, 'sugar' means *SUCROSE* and should be so indexed. Use the broad term *SUGAR* only if the specific sugar used is not known or not listed in the vocabulary. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0108 sugar A broad term that includes milk and its components, cream, curd and whey; use the appropriate specific term when milk or a milk product is the principal ingredient. Use the appropriate term under *MEAT ANIMAL* to index the source of the milk (note: 21 CFR 131.110 defines milk as cow's milk). http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0113 LanguaL curation note: For 'whole milk' combine *MILK OR MILK PRODUCT* (A. PRODUCT TYPE) with *MILK* (C. PART OF PLANT OR ANIMAL); for 'lowfat cottage cheese' combine *UNCURED CHEESE* (A. PRODUCT TYPE) with *CURD* (C. PART OF PLANT OR ANIMAL) and *FAT PARTIALLY REMOVED* (H. TREATMENT APPLIED). mammalian milk or milk component Anatomical part of the plant or animal from which a food product or its major ingredient is derived. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0116 LanguaL curation note: "e.g. *LEAF*, *ROOT OR TUBER*, *ORGAN MEAT*, *MILK* OR *EGG*; it also includes components of parts, such as *CREAM*, and extracts, concentrates or isolates, such as *PROTEIN EXTRACT* or *SUGAR*." part of organism Bone, feathers, shell, skin or trim fat. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0122 LanguaL curation note: *BLOOD* AND *INK, AQUATIC ANIMAL* are now listed under organism substance. nonmeat part of animal http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0125 boneless meat skeletal meat part, without bone, skin undetermined skeletal meat part, without bone or shell Includes carcass meat, organ meat, and nonmeat parts of animals, as well as the whole animal. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0127 LanguaL curation note: Includes carcass meat, organ meat, and nonmeat parts of animals, as well as the whole animal. animal body or body part http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0134 LanguaL curation note: Renamed from *SEED OR KERNEL, SKIN REMOVED* in LanguaL 2008. seed, skin removed http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0144 LanguaL curation note: This broad term is used for the plant as a whole, excluding the root and the fruit; for any piece consisting of two or more individual parts (e.g., a celery stalk with the leaf blades attached); or for any mixture of two or more individual parts (e.g., mushroom stems and pieces). plant above surface, excluding fruit and seed The parts of a plant that are not fruit or seed. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0148 flower, root, stem or leaf leaf, flower, root or stem stem, leaf, flower or root root, stem, leaf or flower Extract, concentrate or isolate high in sugar, oligosaccharide or polysaccharide. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0152 carbohydrate extract, concentrate, or isolate Anatomical part of an animal; includes eggs and milk that, although separated from the animal, are produced as integral parts and are affected by the animal's food intake and metabolism. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0164 part of animal The fleshy fruit of any plant. *FRUIT* includes vegetables berries and pods as well. The bulk of a fruit is its fleshy part, which is covered by a peel (skin) and which encloses a core, pit or seeds. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0167 berry berry or fruit (anatomical part) fruit or berry, peel undetermined hip (fruit) infructescence LanguaL curation note: The descriptors under *FRUIT* are arrayed so that the indexer can check first whether the peel is present, removed or undetermined; then check the same informationfor the core, pit or seeds. For juices, beverages or jellies made from fruit, Index the entire part from which the product is derived. Renamed from *FRUIT OR BERRY* in LanguaL 2008. fruit part Carcass meat from any type of animal including poultry and seafood. Includes retail and wholesale cuts other than organ meat. Refers to the whole carcass or parts. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0175 skeletal meat part http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0178 seed part Poultry, game bird or turtle eggs. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0194 LanguaL curation note: Fish roe are indexed under *OVARY, ROE*. egg or egg component The bulk of a seed; germ and bran are removed. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0208 endosperm LanguaL curation note: Renamed from *SEED OR KERNEL, SKIN REMOVED, GERM REMOVED (ENDOSPERM)* in LanguaL 2008. seed, skin removed, germ removed (endosperm) Edible organ meat, including blood and bone marrow. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0218 variety meat organ meat The egg yolk and albumen component of one or more eggs with shell removed. Damion Dooley http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0225 egg (without shell) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0227 LanguaL curation note: Used for seeds in hard shells rather than pods. Examples include brazil nuts, walnuts, almonds and peanuts. seed(s) in shell or hull A physical-chemical component separated from the food source or its parts by extraction, centrifugation, filtration, heat processing, expressing or a similar process. The separated component may be converted through further processing. If this is done, the final substance is indexed. A water-extracted component may remain in aqueous dispersion. The extract, concentrate or isolate is indexed in preference to the anatomic part from which it is derived. For example, peanut oil is indexed under *PEANUT* combined wih *FAT OR OIL* rather than with *SEED OR KERNEL*. On the other hand, fruit and vegetable juices can be indexed under *FRUIT JUICE OR NECTAR* or *VEGETABLE JUICE* (A. PRODUCT TYPE); therefore the anatomic part of the plant should be indexed. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0228 Damion Dooley's note: Items in this branch will be merged into foodon food product branch. extract, concentrate or isolate of plant or animal http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0238 bulb, root or tuber tuber, bulb or root root, tuber or bulb The broken outer coat, or husk, of grains of wheat, rye, oats, etc. separated from the flour after grinding, as by sifting (Source: Webster's) http://langual.org LANGUAL:C0288 seed bran The oil produced by pressing or extracting lipids from plant seeds (e.g. grapeseed oil, rapeseed oil, linseed oil) /AM http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0307 seed oil The physical state of the food product (liquid, semiliquid, semisolid, or solid). Solid food products are further subdivided by shape or form. Terms are provided for products that have both liquid and solid components or that incorporate air or other gases. [FDA CFSAN 1995] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=E0113 Damion Dooley's note: these categories need to be mapped over to PATO phenotypic categories, with a suitable treatment of mixtures of solids that are divided into parts. food physical quality http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=E0115 chopped diced cracked into medium size pieces divided into pieces, thickness 0.3-1.5 cm. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=E0122 LanguaL curation note: The distinctions in this category are based on size characteristics, primarily thickness, which are important for heat transfer and for diffusion of chemicals in processing. *DIVIDED INTO HALVES, QUARTERS OR SEGMENTS* should be examined first and if one of the descriptors listed applies it should be used regardless of the size of the pieces. If none of these are applicable, other *DIVIDED OR DISINTEGRATED* descriptors should be examined. Do not use any of these descriptors if dividing or disintegrating results in a semiliquid or semisolid product. divided or disintegrated A state of matter between a solid and a gas, in which a substance has the capacity to flow and conforms to the shape of the container. Liquids range from water to honey, corresponding to a range in viscosity (or apparent viscosity) from 1 to 500 centipoise (viscosity is a measure of a liquid's resistance to flow). Products that are pourable but have a higher viscosity are *SEMILIQUID*. http://langual.org SUBSET_SIREN:F5105 http://www.langual.org/langual_thesaurus.asp?termid=E0130 fluid SIREN DB annotation: * has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130) food (liquid) http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=E0137 LanguaL curation note: Used for solid products that are divided into uniformly thin pieces (e.g., sliced bread). sliced Divided into pieces whose shape bears little or no relation to the shape of the whole. If all dimensions are below 0.2 cm., use *DISINTEGRATED OR GROUND*. Examples are: bread slice, cubed beef, sliced carrot, cut green beans, apple ring, shredded cabbage or cheese. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=E0152 divided into pieces http://www.langual.org/langual_thesaurus.asp?termid=G0002 food cooking Cooked at moderate to high levels of heat in which no liquid is added and only small amounts of fat may be added to prevent sticking. http://www.langual.org/langual_thesaurus.asp?termid=G0004 dry cooked LanguaL cooking by dry heat Cooked without moisture, covered or uncovered, in an oven. Damion Dooley http://www.langual.org/langual_thesaurus.asp?termid=G0005 roasting food baking Used to specifically characterize a food product based on the treatment or processes applied to the product or any indexed ingredient. The processes include adding, substituting or removing components or modifying the food or component, e.g., through fermentation. http://www.langual.org/langual_thesaurus.asp?termid=H0111 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. food treatment process A food modification process by microbial or enzymatic action which results in molecular changes in any food component. http://www.langual.org/langual_thesaurus.asp?termid=H0119 fermented, unspecified LanguaL curation note: If salt, sugar or other food additive is used to aid in the modification process, index it by the appropriate term under *INGREDIENT ADDED*. microbial/enzymatic modification process A food modification process where physical or chemical changes are effected in any food ingredient through a physical or non-enzymatic chemical process. http://www.langual.org/langual_thesaurus.asp?termid=H0130 physical/chemical modification process http://www.langual.org/langual_thesaurus.asp?termid=H0141 LanguaL curation note: Used when the food product underwent mechanical, chemical or enzymatic modification that has affected the texture, flavor or other characteristic of the product. food modification process http://www.langual.org/langual_thesaurus.asp?termid=H0161 cholesterol removed|defatted LanguaL curation note: Used for products that contain less than 60% of the fat naturally present in the food source (more precisely, the part of the food source.) more specific fat levels, which vary from one product type to another, are specified in the extended scope notes for *FAT PARTIALLY REMOVED* and *FAT FULLY REMOVED* in the manual. fat removal process This disjunction is provided for food indexers who used the LanguaL category per guidelines. Currently, by specifying the more specific nut or seed as ingredient instead, this category can be inferred. nut or seed added http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=H0177 LanguaL curation note: With the exception of peanut (see *PEANUT OR PEANUT BUTTER ADDED*), used when a nut or seed ingredient is the second ingredient in order of predominance. plant seed or nut food product http://www.langual.org/langual_thesaurus.asp?termid=H0207 stuffing process LanguaL curation note: Applies to all filled or stuffed products, including pies and sandwiches. food filling process http://www.langual.org/langual_thesaurus.asp?termid=H0230 LanguaL curation note: Used for products in which either carbohydrates, proteins or fats were modified through microbial processes. Enzymatic or other biological processes may also be involved. If two or more of these components are modified in significant amounts, index under *FERMENTED/MODIFIED, MULTIPLE COMPONENT*. single component food fermentation A component separation process at the very least removes one component from an initial entity. The removed component may be captured as a process output for reuse if not destroyed in the process of removal. Damion Dooley http://www.langual.org/langual_thesaurus.asp?termid=H0238 LanguaL curation note: Use the appropriate term under *COMPONENT REMOVED* to indicate the permanent full or partial removal of a nutritional/chemical component naturally present in the part of plant or animal used. food component separation process http://www.langual.org/langual_thesaurus.asp?termid=H0248 LanguaL curation note: Used for products that contain less than 10-20% of the fat naturally present in the food source. Examples are skim milk, low-fat cocoa and dry-curd cottage cheese. full fat removal process http://www.langual.org/langual_thesaurus.asp?termid=H0256 yeast leavened carbohydrate fermentation A fat or oil derived from vegetable material Damion Dooley vegetable fat or oil added http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=H0263 This is a convenience class inherited from LanguaL vegetable fat or oil The methods contributing to the prevention or retardation of microbial, enzymatic or oxidative spoilage and thus to the extension of shelf life. Index all methods for which information is available, even if a corresponding descriptor has already been used in *H. TREATMENT APPLIED*. Preservation descriptors refer to the finished food as a whole with these exceptions: (1) if the components of a multi-component food, such as cream pie, are preservation by different methods, index all methods; (2) if chemical preservatives are declared on the label, always index them even if it is known that the preservative was introduced through or is only present in a component or ingredient of the food; and (3) if the preservation method for an ingredient is declared on the label (such as brie cheese made from pasteurized milk) index it. Also use *INGREDIENT preservation by THERMAL PROCESSING* or *INGREDIENT preservation by IRRADIATION* when ingredients have been pasteurized, ultrapasteurized, sterilized or irradiated. http://www.langual.org/langual_thesaurus.asp?termid=J0107 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. food preservation process http://www.langual.org/langual_thesaurus.asp?termid=J0119 LanguaL curation note: Used when sufficient radiation (e.g. 10 kGy) is applied to destroy most patho-genic and food spoilage organisms. Also index *preservation by CHILLING*. pasteurization by irradiation Preservation by the use of high temperature for a time sufficient to reduce or destroy undesirable microorganisms and enzyme activity. [FDA CFSAN 1995] http://www.langual.org/langual_thesaurus.asp?termid=J0120 heat treatment food preservation Preservation by irradiation, primarily by gamma radiation. http://www.langual.org/langual_thesaurus.asp?termid=J0122 preservation by ionizing radiation http://www.langual.org/langual_thesaurus.asp?termid=J0135 LanguaL curation note: Used when the product is held at a temperature of 60-150 °C (140-300 °F) for a time sufficient to destroy most pathogenic and food spoilage organisms. When followed by refrigeration, also index *preservation by CHILLING*. pasteurization by heating Preservation by the use of radiation to destroy or suppress undesirable microorganisms or enzyme activity. http://www.langual.org/langual_thesaurus.asp?termid=J0138 preservation by irradiation The specific container or coating materials in direct contact with the food. [FDA CFSAN 1995] http://langual.org surface http://www.langual.org/langual_thesaurus.asp?termid=N0010 food product contact surface http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=N0050 food contact surface from natural material adjunct characteristics of meat, poultry or fish http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=Z0049 LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. meat, poultry or fish physical quality http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=Z0055 LanguaL curation note: Used to characterize colors of tuna or salmon flesh. The appropriate narrower term is used only when tuna or salmon is the first or sole ingredient of a food product. color of fish flesh http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=Z0058 LanguaL curation note: This color designation describes tuna flesh that is darker than munsell value 5.3 (21 CFR 161.190(a)(4) (iii)). dark fish flesh The category covers both raw materials and infusions of cacao, coffee, tea and other vegetable products for infusions. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A03GG 34020 - coffee, cocoa, tea and infusions (efsa foodex2) The category covers all types of Coffee, cocoa, tea and herbal infusions. The part consumed/analysed is by default the whole marketed unit or a homogeneous representative portion. When relevant, information on the part consumed/analysed has to be reported with additional facet descriptors.[https://en.wikipedia.org/wiki/List_of_hot_drinks] and [https://www.google.co.uk/search?tbm=isch&q=Hot drinks and similar (coffee, cocoa, tea and herbal infusions)] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A03JZ 37000 - hot drinks and similar (coffee, cocoa, tea and herbal infusions) (efsa foodex2) The group includes any type of Cocoa beverages, i.e. beverages usually made with cocoa powder and possibly other cocoa-based products dissolved into a liquid. The part consumed/analysed is by default the whole marketed unit or a homogeneous representative portion.[https://www.google.co.uk/search?tbm=isch&q=Cocoa beverages] http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=A03KY 37220 - cocoa beverages (efsa foodex2) A botanical dietary supplement composed primarily of the root or root extract of the Actaea racemosa plant. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Actaea_racemosa https://www.nccih.nih.gov/health/black-cohosh 2021-06-08T13:32:28 Cimicifuga racemosa supplement black bugbane supplement black snakeroot supplement Black cohosh supplementation has been used in functional medicine for management of menopausal symptoms. black cohosh supplement A dietary supplement composed primarily of the ubiquinone coenzyme Q10. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Coenzyme_Q10 https://www.nccih.nih.gov/health/coenzyme-q10 2021-06-08T13:32:29 CoQ10 supplement ubiquinone-10 supplement Coenzyme Q10 supplementation has been used in functional medicine for a wide range of ailments including heart disease and cancer. coenzyme Q10 supplement A dietary fat supplement composed primarily of fish oil. https://orcid.org/0000-0002-7463-6306 https://www.health.harvard.edu/blog/fish-oil-friend-or-foe-201307126467 2021-06-08T13:32:30 Fish oil supplementation has been used in function medicine to reduce cardiovascular disease risk and reduce inflammation. fish oil supplement A dietary fat supplement composed primarily of flaxseed oil. https://orcid.org/0000-0002-7463-6306 https://www.nccih.nih.gov/health/flaxseed-and-flaxseed-oil 2021-06-08T13:32:31 Flaxseed oil supplementation has been used in function medicine for a variety of ailments including gastrointestinal complaints and cardiovascular disease. flaxseed oil supplement A botanical dietary supplement composed primarily of a Ginkgo biloba plant leaf extract. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Ginkgo_biloba 2021-06-08T13:32:32 ginkgo leaf supplement Ginkgo biloba supplementation has been used in functional medicine for a variety of ailments including peripheral artery disease and dementia. ginkgo biloba supplement https://www.nccih.nih.gov/health/ginkgo A botanical dietary supplement composed primarily of the root or root extract of the Panax ginseng plant. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Ginseng 2021-06-08T13:32:33 Asian ginseng supplement Ginseng supplementation has been used in functional medicine to stimulate immune function, improve well-being, and a variety of other health problems. ginseng supplement https://www.nccih.nih.gov/health/asian-ginseng A dietary supplement composed primarily of the amino sugar glucosamine. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Glucosamine#Manufacturing 2021-06-08T13:32:34 Glucosamine supplementation has been used in functional medicine for arthritis and pain. glucosamine supplement https://www.nccih.nih.gov/health/glucosamine-and-chondroitin-for-osteoarthritis A dietary supplement composed primarily of the hormone melatonin. https://orcid.org/0000-0002-7463-6306 https://www.nccih.nih.gov/health/melatonin-what-you-need-to-know 2021-06-08T13:32:35 Melatonin supplementation has been used in functional medicine for circadian rhythm disruption and insomnia. melatonin supplement A botanical dietary supplement composed primarily of extract from the seeds of the Silybum marianum plant. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Silybum_marianum 2021-06-08T13:32:36 milk thistle extract supplement silymarin supplement Milk thistle supplementation has been used in functional medicine for a variety of ailments including hepatitis, cirrhosis, and diabetes. milk thistle supplement https://www.nccih.nih.gov/health/milk-thistle A dietary fat supplement composed primarily of omega-3 fatty acids eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). https://orcid.org/0000-0002-7463-6306 https://www.nccih.nih.gov/health/omega3-supplements-in-depth 2021-06-08T13:32:37 docosahexaenoic acid (DHA) supplement eicosapentaenoic acid (EPA) supplement Omega-3- fatty acid supplementation has been used in function medicine for a variety of ailments including hypertriglyceridemia and rheumatoid arthritis. omega-3- fatty acid supplement A botanical dietary supplement composed primarily of red yeast rice (rice fermented with the mold Monascus purpureus). https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Red_yeast_rice 2021-06-08T13:32:38 angkak supplement red fermented rice supplement red koji rice supplement Red yeast rice supplementation has been used in functional medicine to aid in digestion and reduce blood cholesterol. red yeast rice supplement https://www.nccih.nih.gov/health/red-yeast-rice A botanical dietary supplement composed primarily of resveratrol. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Resveratrol 2021-06-08T13:32:39 Resveratrol supplementation has been used in functional medicine to reduce blood pressure and improve cognition. resveratrol supplement A botanical dietary supplement composed primarily of an extract of the flower of the Hypericum perforatum plant. https://orcid.org/0000-0002-7463-6306 https://en.wikipedia.org/wiki/Hypericum_perforatum 2021-06-08T13:32:40 hypericum supplement St. john's wort supplementation has been used in functional medicine for a variety of ailments including insomnia and depression. St. John's wort is a cytochrome P450 inducer and has known interactions with some medications. St. John's wort supplement https://www.nccih.nih.gov/health/st-johns-wort One of the large, unbroken masses of land into which the Earth's surface is divided. continent north america http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=R0362 LanguaL curation note: US FDA 1995 Code: QT North America A federal constitutional republic comprising fifty states and a federal district. The country is situated mostly in central North America, where its forty-eight contiguous states and Washington, DC, the capital district, lie between the Pacific and Atlantic Oceans, bordered by Canada to the north and Mexico to the south. The State of Alaska is in the northwest of the continent, with Canada to its east and Russia to the west across the Bering Strait, and the State of Hawaii is in the mid-Pacific. The United States also possesses several territories, or insular areas, that are scattered around the Caribbean and Pacific. The states are divided into smaller administrative regions, called counties in most states, exceptions being Alaska (parts of the state are organized into subdivisions called boroughs; the rest of the state's territory that is not included in any borough is divided into "census areas"), and Louisiana (which is divided into county-equivalents that are called parishes). There are also independent cities which are within particular states but not part of any particular county or consolidated city-counties. Another type of organization is where the city and county are unified and function as an independent city. There are thirty-nine independent cities in Virginia and other independent cities or city-counties are San Francisco, California, Baltimore, Maryland, St. Louis, Missouri, Denver, Colorado and Carson City, Nevada. Counties can include a number of cities, towns, villages, or hamlets, or sometimes just a part of a city. Counties have varying degrees of political and legal significance, but they are always administrative divisions of the state. Counties in many states are further subdivided into townships, which, by definition, are administrative divisions of a county. In some states, such as Michigan, a township can file a charter with the state government, making itself into a "charter township", which is a type of mixed municipal and township status (giving the township some of the rights of a city without all of the responsibilities), much in the way a metropolitan municipality is a mixed municipality and county. united states http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=R0413 LanguaL curation note: US FDA 1995 Code: US United States of America A country occupying most of northern North America, extending from the Atlantic Ocean in the east to the Pacific Ocean in the west and northward into the Arctic Ocean. Canada is a federation composed of ten provinces and three territories; in turn, these may be grouped into regions. Western Canada consists of British Columbia and the three Prairie provinces (Alberta, Saskatchewan, and Manitoba). Central Canada consists of Quebec and Ontario. Atlantic Canada consists of the three Maritime provinces (New Brunswick, Prince Edward Island, and Nova Scotia), along with Newfoundland and Labrador. Eastern Canada refers to Central Canada and Atlantic Canada together. Three territories (Yukon, Northwest Territories, and Nunavut) make up Northern Canada. canada http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=R0171 LanguaL curation note: US FDA 1995 Code: CA Canada geographical entity of astronomical body A material entity that is (1) a bona fide or fiat object part of the crust, any bodies of liquid on or contained within the crust, or planetary boundary layer (if present) of a terrestrial planet (including Earth), dwarf planet, exoplanet, natural satellite, planetesimal, or small Solar System body, and that (2) overlaps the planetary surface (including having a boundary that coincides with part of the planetary surface). geographical entity A geographical entity that is demarcated at least in part by one or more closed fiat boundaries all of whose lines are part of the planetary surface. geographical region Binding to an acyl group, any group formally derived by removal of the hydroxyl group from the acid function of a carboxylic acid. acyl-CoA or acyl binding molecular_function GO:0000035 acyl binding Binding to an acyl group, any group formally derived by removal of the hydroxyl group from the acid function of a carboxylic acid. GOC:curators ISBN:0198506732 The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically. glycan biosynthesis glycan biosynthetic process polysaccharide anabolism polysaccharide biosynthesis polysaccharide formation polysaccharide synthesis biological_process GO:0000271 polysaccharide biosynthetic process The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically. GOC:go_curators Any process that modulates levels of neurotransmitter. biological_process GO:0001505 regulation of neurotransmitter levels Any process that modulates levels of neurotransmitter. GOC:jl Formation of a complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator). translation initiation ternary complex assembly biological_process GO:0001677 formation of translation initiation ternary complex Formation of a complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator). GOC:hjd The chemical reactions and pathways involving histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans. histamine metabolism biological_process GO:0001692 histamine metabolic process The chemical reactions and pathways involving histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans. GOC:jl ISBN:0395825172 The chemical reactions and pathways resulting in the formation of histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans. GO:0001693 histamine anabolism histamine biosynthesis histamine formation histamine synthesis biological_process GO:0001694 histamine biosynthetic process The chemical reactions and pathways resulting in the formation of histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans. GOC:jl ISBN:0395825172 Binding to a nucleobase, any of a class of pyrmidines or purines, organic nitrogenous bases. molecular_function GO:0002054 nucleobase binding Binding to a nucleobase, any of a class of pyrmidines or purines, organic nitrogenous bases. GOC:hjd A molecular process that can be carried out by the action of a single macromolecular machine, usually via direct physical interactions with other molecular entities. Function in this sense denotes an action, or activity, that a gene product (or a complex) performs. These actions are described from two distinct but related perspectives: (1) biochemical activity, and (2) role as a component in a larger system/process. molecular process GO:0005554 molecular function molecular_function GO:0003674 Note that, in addition to forming the root of the molecular function ontology, this term is recommended for use for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. molecular_function A molecular process that can be carried out by the action of a single macromolecular machine, usually via direct physical interactions with other molecular entities. Function in this sense denotes an action, or activity, that a gene product (or a complex) performs. These actions are described from two distinct but related perspectives: (1) biochemical activity, and (2) role as a component in a larger system/process. GOC:pdt Binding to a nucleic acid. GO:0000496 base pairing molecular_function GO:0003676 nucleic acid binding Binding to a nucleic acid. GOC:jl Binding to an RNA molecule or a portion thereof. GO:0000498 GO:0044822 Reactome:R-HSA-203922 base pairing with RNA molecular_function poly(A) RNA binding poly(A)-RNA binding poly-A RNA binding GO:0003723 RNA binding Binding to an RNA molecule or a portion thereof. GOC:jl GOC:mah Reactome:R-HSA-203922 Exportin-5 recognizes 3' overhang of pre-miRNA Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. Wikipedia:Enzyme enzyme activity molecular_function GO:0003824 catalytic activity Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. GOC:vw ISBN:0198506732 enzyme activity GOC:dph GOC:tb Binds to and stops, prevents or reduces the activity of an enzyme. GO:0048551 metalloenzyme inhibitor activity molecular_function GO:0004857 This term should only be used in cases when the regulator directly interacts with the enzyme. enzyme inhibitor activity Binds to and stops, prevents or reduces the activity of an enzyme. GOC:ai GOC:ebc The selective, non-covalent, often stoichiometric, interaction of a molecule with one or more specific sites on another molecule. Wikipedia:Binding_(molecular) ligand molecular_function GO:0005488 Note that this term is in the subset of terms that should not be used for direct, manual gene product annotation. Please choose a more specific child term, or request a new one if no suitable term is available. For ligands that bind to signal transducing receptors, consider the molecular function term 'receptor binding ; GO:0005102' and its children. binding The selective, non-covalent, often stoichiometric, interaction of a molecule with one or more specific sites on another molecule. GOC:ceb GOC:mah ISBN:0198506732 Binding to a steroid, any of a large group of substances that have in common a ring system based on 1,2-cyclopentanoperhydrophenanthrene. molecular_function GO:0005496 steroid binding Binding to a steroid, any of a large group of substances that have in common a ring system based on 1,2-cyclopentanoperhydrophenanthrene. GOC:jl ISBN:0198506732 Binding to a fatty acid, an aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis. molecular_function GO:0005504 fatty acid binding Binding to a fatty acid, an aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis. ISBN:0198506732 Binding to an iron (Fe) ion. iron binding molecular_function GO:0005506 iron ion binding Binding to an iron (Fe) ion. GOC:ai Binding to a calcium ion (Ca2+). molecular_function calcium ion storage activity GO:0005509 calcium ion binding Binding to a calcium ion (Ca2+). GOC:ai Binding to a protein. GO:0001948 GO:0045308 protein amino acid binding glycoprotein binding molecular_function GO:0005515 protein binding Binding to a protein. GOC:go_curators Binding to D- or L-enantiomers of glucose. molecular_function GO:0005536 glucose binding Binding to D- or L-enantiomers of glucose. GOC:jl A location, relative to cellular compartments and structures, occupied by a macromolecular machine when it carries out a molecular function. There are two ways in which the gene ontology describes locations of gene products: (1) relative to cellular structures (e.g., cytoplasmic side of plasma membrane) or compartments (e.g., mitochondrion), and (2) the stable macromolecular complexes of which they are parts (e.g., the ribosome). GO:0008372 NIF_Subcellular:sao1337158144 cell or subcellular entity cellular component cellular_component subcellular entity GO:0005575 Note that, in addition to forming the root of the cellular component ontology, this term is recommended for use for the annotation of gene products whose cellular component is unknown. When this term is used for annotation, it indicates that no information was available about the cellular component of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. cellular_component A location, relative to cellular compartments and structures, occupied by a macromolecular machine when it carries out a molecular function. There are two ways in which the gene ontology describes locations of gene products: (1) relative to cellular structures (e.g., cytoplasmic side of plasma membrane) or compartments (e.g., mitochondrion), and (2) the stable macromolecular complexes of which they are parts (e.g., the ribosome). GOC:pdt NIF_Subcellular:sao1337158144 subcellular entity NIF_Subcellular:nlx_subcell_100315 A component of a cell contained within (but not including) the plasma membrane. In eukaryotes it includes the nucleus and cytoplasm. https://github.com/geneontology/go-ontology/issues/17776 Wikipedia:Intracellular internal to cell intracellular protoplasm cellular_component nucleocytoplasm protoplast GO:0005622 intracellular anatomical structure A component of a cell contained within (but not including) the plasma membrane. In eukaryotes it includes the nucleus and cytoplasm. ISBN:0198506732 nucleocytoplasm GOC:mah protoplast GOC:mah A membrane-bounded organelle of eukaryotic cells in which chromosomes are housed and replicated. In most cells, the nucleus contains all of the cell's chromosomes except the organellar chromosomes, and is the site of RNA synthesis and processing. In some species, or in specialized cell types, RNA metabolism or DNA replication may be absent. NIF_Subcellular:sao1702920020 Wikipedia:Cell_nucleus cell nucleus horsetail nucleus cellular_component GO:0005634 nucleus nucleus A membrane-bounded organelle of eukaryotic cells in which chromosomes are housed and replicated. In most cells, the nucleus contains all of the cell's chromosomes except the organellar chromosomes, and is the site of RNA synthesis and processing. In some species, or in specialized cell types, RNA metabolism or DNA replication may be absent. GOC:go_curators horsetail nucleus GOC:al GOC:mah GOC:vw PMID:15030757 The double lipid bilayer enclosing the nucleus and separating its contents from the rest of the cytoplasm; includes the intermembrane space, a gap of width 20-40 nm (also called the perinuclear space). GO:0005636 Wikipedia:Nuclear_envelope cellular_component GO:0005635 nuclear envelope The double lipid bilayer enclosing the nucleus and separating its contents from the rest of the cytoplasm; includes the intermembrane space, a gap of width 20-40 nm (also called the perinuclear space). ISBN:0198547684 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. https://github.com/geneontology/go-ontology/issues/23023 Wikipedia:Cytoplasm cellular_component GO:0005737 cytoplasm The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. ISBN:0198547684 A closed structure, found only in eukaryotic cells, that is completely surrounded by unit membrane and contains liquid material. Cells contain one or several vacuoles, that may have different functions from each other. Vacuoles have a diverse array of functions. They can act as a storage organelle for nutrients or waste products, as a degradative compartment, as a cost-effective way of increasing cell size, and as a homeostatic regulator controlling both turgor pressure and pH of the cytosol. Wikipedia:Vacuole cellular_component vacuolar carboxypeptidase Y GO:0005773 vacuole A closed structure, found only in eukaryotic cells, that is completely surrounded by unit membrane and contains liquid material. Cells contain one or several vacuoles, that may have different functions from each other. Vacuoles have a diverse array of functions. They can act as a storage organelle for nutrients or waste products, as a degradative compartment, as a cost-effective way of increasing cell size, and as a homeostatic regulator controlling both turgor pressure and pH of the cytosol. GOC:mtg_sensu ISBN:0198506732 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0005887 GO:0005904 juxtamembrane NIF_Subcellular:sao1663586795 Wikipedia:Cell_membrane cell membrane cellular membrane cytoplasmic membrane plasmalemma bacterial inner membrane inner endospore membrane integral component of plasma membrane integral to plasma membrane plasma membrane lipid bilayer cellular_component GO:0005886 plasma membrane The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. ISBN:0716731363 cellular membrane NIF_Subcellular:sao6433132645 plasma membrane lipid bilayer GOC:mah The region of a cell that lies just beneath the plasma membrane and often, but not always, contains a network of actin filaments and associated proteins. Wikipedia:Cell_cortex cellular_component cell periphery peripheral cytoplasm GO:0005938 cell cortex The region of a cell that lies just beneath the plasma membrane and often, but not always, contains a network of actin filaments and associated proteins. GOC:mah ISBN:0815316194 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. https://github.com/geneontology/go-ontology/issues/22880 jl 2012-10-23T15:40:34Z GO:0044261 GO:0044723 Wikipedia:Carbohydrate_metabolism carbohydrate metabolism biological_process GO:0005975 carbohydrate metabolic process The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GOC:mah ISBN:0198506732 The chemical reactions and pathways involving a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically. GO:0044263 polysaccharide metabolism glycan metabolic process glycan metabolism multicellular organismal polysaccharide metabolic process biological_process GO:0005976 polysaccharide metabolic process The chemical reactions and pathways involving a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically. ISBN:0198547684 The chemical reactions and pathways involving monosaccharides, the simplest carbohydrates. They are polyhydric alcohols containing either an aldehyde or a keto group and between three to ten or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides. monosaccharide metabolism biological_process GO:0005996 monosaccharide metabolic process The chemical reactions and pathways involving monosaccharides, the simplest carbohydrates. They are polyhydric alcohols containing either an aldehyde or a keto group and between three to ten or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides. ISBN:0198506732 The chemical reactions and pathways involving glucose, the aldohexose gluco-hexose. D-glucose is dextrorotatory and is sometimes known as dextrose; it is an important source of energy for living organisms and is found free as well as combined in homo- and hetero-oligosaccharides and polysaccharides. cellular glucose metabolic process glucose metabolism biological_process GO:0006006 glucose metabolic process The chemical reactions and pathways involving glucose, the aldohexose gluco-hexose. D-glucose is dextrorotatory and is sometimes known as dextrose; it is an important source of energy for living organisms and is found free as well as combined in homo- and hetero-oligosaccharides and polysaccharides. ISBN:0198506732 cellular glucose metabolic process GOC:vw The chemical reactions and pathways involving aminoglycans, any polymer containing amino groups that consists of more than about 10 monosaccharide residues joined to each other by glycosidic linkages. aminoglycan metabolism biological_process GO:0006022 aminoglycan metabolic process The chemical reactions and pathways involving aminoglycans, any polymer containing amino groups that consists of more than about 10 monosaccharide residues joined to each other by glycosidic linkages. GOC:ai ISBN:0198506732 The chemical reactions and pathways resulting in the formation of aminoglycans, any polymer containing amino groups that consists of more than about 10 monosaccharide residues joined to each other by glycosidic linkages. aminoglycan anabolism aminoglycan biosynthesis aminoglycan formation aminoglycan synthesis biological_process GO:0006023 aminoglycan biosynthetic process The chemical reactions and pathways resulting in the formation of aminoglycans, any polymer containing amino groups that consists of more than about 10 monosaccharide residues joined to each other by glycosidic linkages. GOC:ai ISBN:0198506732 The chemical reactions and pathways involving chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. beta-1,4-linked N-acetylglucosamine metabolic process beta-1,4-linked N-acetylglucosamine metabolism chitin metabolism biological_process GO:0006030 chitin metabolic process The chemical reactions and pathways involving chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. GOC:jl ISBN:0198506732 The chemical reactions and pathways resulting in the formation of chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. beta-1,4-linked N-acetylglucosamine biosynthesis beta-1,4-linked N-acetylglucosamine biosynthetic process chitin anabolism chitin biosynthesis chitin formation chitin synthesis biological_process GO:0006031 chitin biosynthetic process The chemical reactions and pathways resulting in the formation of chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving any amino sugar, sugars containing an amino group in place of a hydroxyl group. amino sugar metabolism aminosaccharide metabolic process aminosaccharide metabolism biological_process GO:0006040 amino sugar metabolic process The chemical reactions and pathways involving any amino sugar, sugars containing an amino group in place of a hydroxyl group. GOC:jl ISBN:0192801023 The chemical reactions and pathways involving alcohols, any of a class of compounds containing one or more hydroxyl groups attached to a saturated carbon atom. alcohol metabolism biological_process GO:0006066 alcohol metabolic process The chemical reactions and pathways involving alcohols, any of a class of compounds containing one or more hydroxyl groups attached to a saturated carbon atom. ISBN:0198506732 The chemical reactions and pathways involving aldehydes, any organic compound with the formula R-CH=O, as carried out by individual cells. aldehyde metabolism alkanal metabolic process alkanal metabolism biological_process GO:0006081 cellular aldehyde metabolic process The chemical reactions and pathways involving aldehydes, any organic compound with the formula R-CH=O, as carried out by individual cells. GOC:go_curators ISBN:0198506732 The chemical reactions and pathways involving organic acids, any acidic compound containing carbon in covalent linkage. organic acid metabolism biological_process GO:0006082 organic acid metabolic process The chemical reactions and pathways involving organic acids, any acidic compound containing carbon in covalent linkage. ISBN:0198506732 The chemical reactions and pathways involving acetate, the anion of acetic acid. acetate metabolism biological_process GO:0006083 acetate metabolic process The chemical reactions and pathways involving acetate, the anion of acetic acid. GOC:go_curators The formation of glucose from noncarbohydrate precursors, such as pyruvate, amino acids and glycerol. MetaCyc:GLUCONEO-PWY Wikipedia:Gluconeogenesis glucose biosynthesis glucose biosynthetic process biological_process GO:0006094 gluconeogenesis The formation of glucose from noncarbohydrate precursors, such as pyruvate, amino acids and glycerol. MetaCyc:GLUCONEO-PWY Any cellular metabolic process involving nucleobases, nucleosides, nucleotides and nucleic acids. GO:0055134 cellular nucleobase, nucleoside, nucleotide and nucleic acid metabolic process cellular nucleobase, nucleoside, nucleotide and nucleic acid metabolism nucleobase, nucleoside, nucleotide and nucleic acid metabolism biological_process nucleobase, nucleoside and nucleotide metabolic process nucleobase, nucleoside, nucleotide and nucleic acid metabolic process GO:0006139 nucleobase-containing compound metabolic process Any cellular metabolic process involving nucleobases, nucleosides, nucleotides and nucleic acids. GOC:ai nucleobase, nucleoside, nucleotide and nucleic acid metabolic process GOC:dph GOC:tb The cellular metabolic process in which a protein is formed, using the sequence of a mature mRNA or circRNA molecule to specify the sequence of amino acids in a polypeptide chain. Translation is mediated by the ribosome, and begins with the formation of a ternary complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2, which subsequently associates with the small subunit of the ribosome and an mRNA or circRNA. Translation ends with the release of a polypeptide chain from the ribosome. GO:0006416 GO:0006453 GO:0043037 Wikipedia:Translation_(genetics) protein anabolism protein biosynthesis protein biosynthetic process protein formation protein synthesis protein translation biological_process GO:0006412 translation The cellular metabolic process in which a protein is formed, using the sequence of a mature mRNA or circRNA molecule to specify the sequence of amino acids in a polypeptide chain. Translation is mediated by the ribosome, and begins with the formation of a ternary complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2, which subsequently associates with the small subunit of the ribosome and an mRNA or circRNA. Translation ends with the release of a polypeptide chain from the ribosome. GOC:go_curators The process preceding formation of the peptide bond between the first two amino acids of a protein. This includes the formation of a complex of the ribosome, mRNA or circRNA, and an initiation complex that contains the first aminoacyl-tRNA. GO:0006440 GO:0006454 biopolymerisation biopolymerization protein synthesis initiation translation initiation biological_process GO:0006413 translational initiation The process preceding formation of the peptide bond between the first two amino acids of a protein. This includes the formation of a complex of the ribosome, mRNA or circRNA, and an initiation complex that contains the first aminoacyl-tRNA. ISBN:019879276X The successive addition of amino acid residues to a nascent polypeptide chain during protein biosynthesis. GO:0006442 GO:0006455 protein synthesis elongation translation elongation biological_process GO:0006414 translational elongation The successive addition of amino acid residues to a nascent polypeptide chain during protein biosynthesis. GOC:ems The process resulting in the release of a polypeptide chain from the ribosome, usually in response to a termination codon (UAA, UAG, or UGA in the universal genetic code). GO:0006443 GO:0006456 protein synthesis termination translation termination translational complex disassembly biological_process GO:0006415 translational termination The process resulting in the release of a polypeptide chain from the ribosome, usually in response to a termination codon (UAA, UAG, or UGA in the universal genetic code). GOC:hjd ISBN:019879276X The chemical reactions and pathways involving peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another. peptide metabolism biological_process GO:0006518 peptide metabolic process The chemical reactions and pathways involving peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another. GOC:go_curators The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups. https://github.com/geneontology/go-ontology/issues/17904 GO:0006519 cellular amino acid metabolic process cellular amino acid metabolism biological_process amino acid and derivative metabolism cellular amino acid and derivative metabolic process GO:0006520 amino acid metabolic process The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups. ISBN:0198506732 The chemical reactions and pathways occurring at the level of individual cells involving any of a group of naturally occurring, biologically active amines, such as norepinephrine, histamine, and serotonin, many of which act as neurotransmitters. biogenic amine metabolism cellular biogenic amine metabolic process biological_process GO:0006576 biogenic amine metabolic process The chemical reactions and pathways occurring at the level of individual cells involving any of a group of naturally occurring, biologically active amines, such as norepinephrine, histamine, and serotonin, many of which act as neurotransmitters. GOC:jl ISBN:0395825172 The chemical reactions and pathways involving any of a group of physiologically important biogenic amines that possess a catechol (3,4-dihydroxyphenyl) nucleus and are derivatives of 3,4-dihydroxyphenylethylamine. catecholamine metabolism biological_process GO:0006584 catecholamine metabolic process The chemical reactions and pathways involving any of a group of physiologically important biogenic amines that possess a catechol (3,4-dihydroxyphenyl) nucleus and are derivatives of 3,4-dihydroxyphenylethylamine. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving indolalkylamines, indole or indole derivatives containing a primary, secondary, or tertiary amine group. indolamine metabolic process indolamine metabolism indolalkylamine metabolism biological_process GO:0006586 indolalkylamine metabolic process The chemical reactions and pathways involving indolalkylamines, indole or indole derivatives containing a primary, secondary, or tertiary amine group. GOC:curators The chemical reactions and pathways involving lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent. Includes fatty acids; neutral fats, other fatty-acid esters, and soaps; long-chain (fatty) alcohols and waxes; sphingoids and other long-chain bases; glycolipids, phospholipids and sphingolipids; and carotenes, polyprenols, sterols, terpenes and other isoprenoids. Wikipedia:Lipid_metabolism lipid metabolism biological_process GO:0006629 lipid metabolic process The chemical reactions and pathways involving lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent. Includes fatty acids; neutral fats, other fatty-acid esters, and soaps; long-chain (fatty) alcohols and waxes; sphingoids and other long-chain bases; glycolipids, phospholipids and sphingolipids; and carotenes, polyprenols, sterols, terpenes and other isoprenoids. GOC:ma The chemical reactions and pathways involving fatty acids, aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis. Wikipedia:Fatty_acid_metabolism fatty acid metabolism biological_process GO:0006631 fatty acid metabolic process The chemical reactions and pathways involving fatty acids, aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis. ISBN:0198547684 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes. GO:0000037 MetaCyc:FASYN-INITIAL-PWY MetaCyc:PWY-4381 MetaCyc:PWY-5156 Wikipedia:Fatty_acid_synthesis fatty acid anabolism fatty acid biosynthesis fatty acid formation fatty acid synthesis biological_process GO:0006633 fatty acid biosynthetic process The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes. GOC:mah ISBN:0198506732 The chemical reactions and pathways resulting in the formation of steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus; includes de novo formation and steroid interconversion by modification. Wikipedia:Steroid_metabolisms#Steroid_biosynthesis steroid anabolism steroid biosynthesis steroid formation steroid synthesis steroidogenesis biological_process GO:0006694 steroid biosynthetic process The chemical reactions and pathways resulting in the formation of steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus; includes de novo formation and steroid interconversion by modification. GOC:go_curators The chemical reactions and pathways resulting in the formation of C21-steroid hormones, steroid compounds containing 21 carbons which function as hormones. C21-steroid hormone anabolism C21-steroid hormone biosynthesis C21-steroid hormone formation C21-steroid hormone synthesis biological_process GO:0006700 C21-steroid hormone biosynthetic process The chemical reactions and pathways resulting in the formation of C21-steroid hormones, steroid compounds containing 21 carbons which function as hormones. GOC:ai The chemical reactions and pathways resulting in the formation of progesterone, a steroid hormone produced in the ovary which prepares and maintains the uterus for pregnancy. Also found in plants. progesterone anabolism progesterone biosynthesis progesterone formation progesterone synthesis biological_process GO:0006701 progesterone biosynthetic process The chemical reactions and pathways resulting in the formation of progesterone, a steroid hormone produced in the ovary which prepares and maintains the uterus for pregnancy. Also found in plants. GOC:jl http://www.cogsci.princeton.edu/ The chemical reactions and pathways resulting in the formation of glucocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. glucocorticoid anabolism glucocorticoid biosynthesis glucocorticoid formation glucocorticoid synthesis biological_process GO:0006704 glucocorticoid biosynthetic process The chemical reactions and pathways resulting in the formation of glucocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of mineralocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. mineralocorticoid anabolism mineralocorticoid biosynthesis mineralocorticoid formation mineralocorticoid synthesis biological_process GO:0006705 mineralocorticoid biosynthetic process The chemical reactions and pathways resulting in the formation of mineralocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. ISBN:0198506732 The chemical reactions and pathways involving isoprenoid compounds, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues. GO:0016096 isoprenoid metabolism polyisoprenoid metabolic process polyisoprenoid metabolism polyterpene metabolic process polyterpene metabolism biological_process GO:0006720 isoprenoid metabolic process The chemical reactions and pathways involving isoprenoid compounds, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues. ISBN:0198547684 The chemical reactions and pathways involving terpenoids, any member of a class of compounds characterized by an isoprenoid chemical structure and including derivatives with various functional groups. terpenoid metabolism biological_process GO:0006721 terpenoid metabolic process The chemical reactions and pathways involving terpenoids, any member of a class of compounds characterized by an isoprenoid chemical structure and including derivatives with various functional groups. ISBN:0198506732 The chemical reactions and pathways involving aromatic compounds, any organic compound characterized by one or more planar rings, each of which contains conjugated double bonds and delocalized pi electrons, as carried out by individual cells. aromatic compound metabolism aromatic hydrocarbon metabolic process aromatic hydrocarbon metabolism biological_process GO:0006725 cellular aromatic compound metabolic process The chemical reactions and pathways involving aromatic compounds, any organic compound characterized by one or more planar rings, each of which contains conjugated double bonds and delocalized pi electrons, as carried out by individual cells. GOC:ai ISBN:0198506732 The chemical reactions and pathways involving the nonmetallic element sulfur or compounds that contain sulfur, such as the amino acids methionine and cysteine or the tripeptide glutathione. Wikipedia:Sulfur_metabolism sulfur metabolism sulphur metabolic process sulphur metabolism biological_process GO:0006790 sulfur compound metabolic process The chemical reactions and pathways involving the nonmetallic element sulfur or compounds that contain sulfur, such as the amino acids methionine and cysteine or the tripeptide glutathione. GOC:ai The chemical reactions and pathways involving the nonmetallic element phosphorus or compounds that contain phosphorus, usually in the form of a phosphate group (PO4). phosphorus metabolism biological_process GO:0006793 phosphorus metabolic process The chemical reactions and pathways involving the nonmetallic element phosphorus or compounds that contain phosphorus, usually in the form of a phosphate group (PO4). GOC:ai The chemical reactions and pathways involving the phosphate group, the anion or salt of any phosphoric acid. phosphate metabolism biological_process phosphate metabolic process GO:0006796 phosphate-containing compound metabolic process The chemical reactions and pathways involving the phosphate group, the anion or salt of any phosphoric acid. GOC:ai The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen. nitrogen compound metabolism biological_process GO:0006807 nitrogen compound metabolic process The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen. GOC:jl ISBN:0198506732 A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of an organelle within a cell. An organelle is an organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane. jl 2013-12-19T15:25:51Z GO:1902589 organelle organisation single organism organelle organization biological_process organelle organization and biogenesis single-organism organelle organization GO:0006996 organelle organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of an organelle within a cell. An organelle is an organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane. GOC:mah single organism organelle organization GOC:TermGenie organelle organization and biogenesis GOC:dph GOC:jl GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nucleus. GO:0048287 nuclear organisation nuclear organization biological_process nuclear morphology nuclear organization and biogenesis nucleus organization and biogenesis GO:0006997 nucleus organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nucleus. GOC:dph GOC:ems GOC:jl GOC:mah nuclear organization and biogenesis GOC:mah nucleus organization and biogenesis GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nuclear envelope. nuclear envelope organisation biological_process nuclear envelope organization and biogenesis GO:0006998 nuclear envelope organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nuclear envelope. GOC:dph GOC:ems GOC:jl GOC:mah nuclear envelope organisation GOC:mah nuclear envelope organization and biogenesis GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the plasma membrane. plasma membrane organisation biological_process plasma membrane organization and biogenesis GO:0007009 plasma membrane organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the plasma membrane. GOC:dph GOC:jl GOC:mah plasma membrane organization and biogenesis GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the cytoplasm. The cytoplasm is all of the contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. cytoplasm organisation biological_process cytoplasm organization and biogenesis GO:0007028 cytoplasm organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the cytoplasm. The cytoplasm is all of the contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GOC:curators GOC:dph GOC:jl GOC:mah cytoplasm organization and biogenesis GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a vacuole. GO:0044086 vacuole organisation vacuolar assembly biological_process vacuole biogenesis vacuole organization and biogenesis GO:0007033 vacuole organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a vacuole. GOC:mah vacuolar assembly GOC:mah vacuole biogenesis GOC:mah vacuole organization and biogenesis GOC:mah The internally coordinated responses (actions or inactions) of animals (individuals or groups) to internal or external stimuli, via a mechanism that involves nervous system activity. jl 2012-09-20T14:06:08Z GO:0023032 GO:0044708 GO:0044709 Wikipedia:Behavior behavioral response to stimulus behaviour behavioural response to stimulus biological_process single-organism behavior GO:0007610 1. Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation reviews. 2. While a broader definition of behavior encompassing plants and single cell organisms would be justified on the basis of some usage (see PMID:20160973 for discussion), GO uses a tight definition that limits behavior to animals and to responses involving the nervous system, excluding plant responses that GO classifies under development, and responses of unicellular organisms that has general classifications for covering the responses of cells in multicellular organisms (e.g. cell chemotaxis). behavior The internally coordinated responses (actions or inactions) of animals (individuals or groups) to internal or external stimuli, via a mechanism that involves nervous system activity. GOC:ems GOC:jl ISBN:0395448956 PMID:20160973 Behavior associated with the intake of food. https://github.com/geneontology/go-ontology/issues/18547 jl 2011-10-27T03:53:33Z GO:0044366 GO:0044367 GO:0044368 GO:0044369 GO:0044370 GO:0044371 GO:0044372 Wikipedia:List_of_feeding_behaviours behavioral response to food behavioural response to food feeding behaviour eating feeding from phloem of other organism feeding from plant phloem feeding from tissue of other organism feeding from vascular tissue of another organism feeding from xylem of other organism feeding on blood of other organism feeding on or from other organism feeding on plant sap hematophagy injection of substance into other organism during feeding on blood of other organism taking of blood meal biological_process GO:0007631 See also the biological process term 'behavior ; GO:0007610'. feeding behavior Behavior associated with the intake of food. GOC:mah Binds to and increases the activity of an enzyme. GO:0010577 metalloenzyme activator activity molecular_function GO:0008047 This term should only be used in cases when the regulator directly interacts with the enzyme. enzyme activator activity Binds to and increases the activity of an enzyme. GOC:dph GOC:mah GOC:tb Binding to chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. molecular_function GO:0008061 chitin binding Binding to chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. GOC:jl ISBN:0198506732 A biological process represents a specific objective that the organism is genetically programmed to achieve. Biological processes are often described by their outcome or ending state, e.g., the biological process of cell division results in the creation of two daughter cells (a divided cell) from a single parent cell. A biological process is accomplished by a particular set of molecular functions carried out by specific gene products (or macromolecular complexes), often in a highly regulated manner and in a particular temporal sequence. jl 2012-09-19T15:05:24Z GO:0000004 GO:0007582 GO:0044699 Wikipedia:Biological_process biological process physiological process biological_process single organism process single-organism process GO:0008150 Note that, in addition to forming the root of the biological process ontology, this term is recommended for use for the annotation of gene products whose biological process is unknown. When this term is used for annotation, it indicates that no information was available about the biological process of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. biological_process A biological process represents a specific objective that the organism is genetically programmed to achieve. Biological processes are often described by their outcome or ending state, e.g., the biological process of cell division results in the creation of two daughter cells (a divided cell) from a single parent cell. A biological process is accomplished by a particular set of molecular functions carried out by specific gene products (or macromolecular complexes), often in a highly regulated manner and in a particular temporal sequence. GOC:pdt The chemical reactions and pathways, including anabolism and catabolism, by which living organisms transform chemical substances. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation. jl 2012-10-17T15:46:40Z GO:0044236 GO:0044710 Wikipedia:Metabolism metabolism metabolic process resulting in cell growth metabolism resulting in cell growth multicellular organism metabolic process biological_process single-organism metabolic process GO:0008152 Note that metabolic processes do not include single functions or processes such as protein-protein interactions, protein-nucleic acids, nor receptor-ligand interactions. metabolic process The chemical reactions and pathways, including anabolism and catabolism, by which living organisms transform chemical substances. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation. GOC:go_curators ISBN:0198547684 The chemical reactions and pathways involving steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus. Wikipedia:Steroid_metabolism steroid metabolism biological_process GO:0008202 steroid metabolic process The chemical reactions and pathways involving steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus. ISBN:0198547684 The chemical reactions and pathways involving C21-steroid hormones, steroid compounds containing 21 carbons which function as hormones. C21-steroid hormone metabolism biological_process GO:0008207 C21-steroid hormone metabolic process The chemical reactions and pathways involving C21-steroid hormones, steroid compounds containing 21 carbons which function as hormones. GOC:ai The chemical reactions and pathways involving glucocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. Glucocorticoids act primarily on carbohydrate and protein metabolism, and have anti-inflammatory effects. glucocorticoid metabolism glucocorticosteroid metabolic process glucocorticosteroid metabolism biological_process GO:0008211 glucocorticoid metabolic process The chemical reactions and pathways involving glucocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. Glucocorticoids act primarily on carbohydrate and protein metabolism, and have anti-inflammatory effects. ISBN:0198506732 The chemical reactions and pathways involving mineralocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. Mineralocorticoids act primarily on water and electrolyte balance. mineralocorticoid metabolism biological_process GO:0008212 mineralocorticoid metabolic process The chemical reactions and pathways involving mineralocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. Mineralocorticoids act primarily on water and electrolyte balance. ISBN:0198506732 Binding to a lipid. molecular_function GO:0008289 lipid binding Binding to a lipid. GOC:ai The chemical reactions and pathways involving acetylcholine, the acetic acid ester of the organic base choline. Acetylcholine is a major neurotransmitter and neuromodulator both in the central and peripheral nervous systems. It also acts as a paracrine signal in various non-neural tissues. acetylcholine metabolism biological_process GO:0008291 acetylcholine metabolic process The chemical reactions and pathways involving acetylcholine, the acetic acid ester of the organic base choline. Acetylcholine is a major neurotransmitter and neuromodulator both in the central and peripheral nervous systems. It also acts as a paracrine signal in various non-neural tissues. GOC:jl GOC:nln ISBN:0192800752 The chemical reactions and pathways resulting in the formation of acetylcholine, the acetic acid ester of the organic base choline. acetylcholine anabolism acetylcholine biosynthesis acetylcholine formation acetylcholine synthesis biological_process GO:0008292 acetylcholine biosynthetic process The chemical reactions and pathways resulting in the formation of acetylcholine, the acetic acid ester of the organic base choline. GOC:jl ISBN:0192800752 The chemical reactions and pathways resulting in the formation of an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues. GO:0009241 MetaCyc:POLYISOPRENSYN-PWY isoprenoid anabolism isoprenoid biosynthesis isoprenoid formation isoprenoid synthesis polyisoprenoid anabolism polyisoprenoid biosynthesis polyisoprenoid biosynthetic process polyisoprenoid formation polyisoprenoid synthesis polyterpene biosynthesis polyterpene biosynthetic process biological_process GO:0008299 isoprenoid biosynthetic process The chemical reactions and pathways resulting in the formation of an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent. lipid anabolism lipid biosynthesis lipid formation lipid synthesis lipogenesis biological_process GO:0008610 lipid biosynthetic process The chemical reactions and pathways resulting in the formation of lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent. GOC:go_curators lipogenesis GOC:sl The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents. https://github.com/geneontology/go-ontology/issues/17904 Wikipedia:Amino_acid_synthesis amino acid anabolism amino acid biosynthesis amino acid formation amino acid synthesis cellular amino acid biosynthetic process biological_process GO:0008652 amino acid biosynthetic process The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of substances; typically the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones. jl 2012-10-17T15:52:18Z GO:0044274 GO:0044711 formation Wikipedia:Anabolism anabolism biosynthesis synthesis multicellular organismal biosynthetic process biological_process single-organism biosynthetic process GO:0009058 biosynthetic process The chemical reactions and pathways resulting in the formation of substances; typically the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones. GOC:curators ISBN:0198547684 The chemical reactions and pathways resulting in the formation of a macromolecule, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. GO:0043284 biopolymer biosynthetic process macromolecule anabolism macromolecule biosynthesis macromolecule formation macromolecule synthesis biological_process GO:0009059 macromolecule biosynthetic process The chemical reactions and pathways resulting in the formation of a macromolecule, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. GOC:mah biopolymer biosynthetic process GOC:mtg_chebi_dec09 The chemical reactions and pathways involving glycoproteins, a protein that contains covalently bound glycose (i.e. monosaccharide) residues; the glycose occurs most commonly as oligosaccharide or fairly small polysaccharide but occasionally as monosaccharide. glycoprotein metabolism biological_process GO:0009100 glycoprotein metabolic process The chemical reactions and pathways involving glycoproteins, a protein that contains covalently bound glycose (i.e. monosaccharide) residues; the glycose occurs most commonly as oligosaccharide or fairly small polysaccharide but occasionally as monosaccharide. GOC:go_curators ISBN:0198506732 The chemical reactions and pathways resulting in the formation of glycoproteins, a protein that contains covalently bound glycose (i.e. monosaccharide) residues; the glycose occurs most commonly as oligosaccharide or fairly small polysaccharide but occasionally as monosaccharide. glycoprotein anabolism glycoprotein biosynthesis glycoprotein formation glycoprotein synthesis biological_process GO:0009101 glycoprotein biosynthetic process The chemical reactions and pathways resulting in the formation of glycoproteins, a protein that contains covalently bound glycose (i.e. monosaccharide) residues; the glycose occurs most commonly as oligosaccharide or fairly small polysaccharide but occasionally as monosaccharide. GOC:go_curators ISBN:0198506732 The chemical reactions and pathways involving a nucleobase, a nitrogenous base that is a constituent of a nucleic acid, e.g. the purines: adenine, guanine, hypoxanthine, xanthine and the pyrimidines: cytosine, uracil, thymine. nucleobase metabolism biological_process GO:0009112 nucleobase metabolic process The chemical reactions and pathways involving a nucleobase, a nitrogenous base that is a constituent of a nucleic acid, e.g. the purines: adenine, guanine, hypoxanthine, xanthine and the pyrimidines: cytosine, uracil, thymine. GOC:ma The chemical reactions and pathways involving any organic compound that is weakly basic in character and contains an amino or a substituted amino group. Amines are called primary, secondary, or tertiary according to whether one, two, or three carbon atoms are attached to the nitrogen atom. jl 2009-07-15T11:55:44Z GO:0044106 amine metabolism cellular amine metabolic process biological_process GO:0009308 amine metabolic process The chemical reactions and pathways involving any organic compound that is weakly basic in character and contains an amino or a substituted amino group. Amines are called primary, secondary, or tertiary according to whether one, two, or three carbon atoms are attached to the nitrogen atom. GOC:jl ISBN:0198506732 The chemical reactions and pathways resulting in the formation of any organic compound that is weakly basic in character and contains an amino or a substituted amino group. Amines are called primary, secondary, or tertiary according to whether one, two, or three carbon atoms are attached to the nitrogen atom. amine anabolism amine biosynthesis amine formation amine synthesis biological_process GO:0009309 amine biosynthetic process The chemical reactions and pathways resulting in the formation of any organic compound that is weakly basic in character and contains an amino or a substituted amino group. Amines are called primary, secondary, or tertiary according to whether one, two, or three carbon atoms are attached to the nitrogen atom. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving a compound containing a pyrocatechol (1,2-benzenediol) nucleus or substituent. biological_process catechol metabolic process catechol metabolism GO:0009712 catechol-containing compound metabolic process The chemical reactions and pathways involving a compound containing a pyrocatechol (1,2-benzenediol) nucleus or substituent. GOC:sm ISBN:0198547684 The chemical reactions and pathways resulting in the formation of catechol-containing compounds. Catechol is a compound containing a pyrocatechol nucleus or substituent. biological_process catechol anabolism catechol biosynthesis catechol biosynthetic process catechol formation catechol synthesis GO:0009713 catechol-containing compound biosynthetic process The chemical reactions and pathways resulting in the formation of catechol-containing compounds. Catechol is a compound containing a pyrocatechol nucleus or substituent. GOC:go_curators The chemical reactions and pathways involving alkaloids, nitrogen containing natural products which are not otherwise classified as peptides, nonprotein amino acids, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones or primary metabolites (such as purine or pyrimidine bases). alkaloid metabolism biological_process GO:0009820 alkaloid metabolic process The chemical reactions and pathways involving alkaloids, nitrogen containing natural products which are not otherwise classified as peptides, nonprotein amino acids, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones or primary metabolites (such as purine or pyrimidine bases). GOC:lr ISBN:0122146743 The chemical reactions and pathways resulting in the formation of alkaloids, nitrogen-containing natural products which are not otherwise classified as nonprotein amino acids, amines, peptides, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones, or primary metabolite (such as purine or pyrimidine bases). UM-BBD_enzymeID:e0711 alkaloid anabolism alkaloid biosynthesis alkaloid formation alkaloid synthesis biological_process GO:0009821 alkaloid biosynthetic process The chemical reactions and pathways resulting in the formation of alkaloids, nitrogen-containing natural products which are not otherwise classified as nonprotein amino acids, amines, peptides, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones, or primary metabolite (such as purine or pyrimidine bases). GOC:lr ISBN:0122146743 Any process that is carried out at the cellular level, but not necessarily restricted to a single cell. For example, cell communication occurs among more than one cell, but occurs at the cellular level. jl 2012-12-11T16:56:55Z GO:0008151 GO:0044763 GO:0050875 cell physiology cellular physiological process cell growth and/or maintenance biological_process single-organism cellular process GO:0009987 cellular process Any process that is carried out at the cellular level, but not necessarily restricted to a single cell. For example, cell communication occurs among more than one cell, but occurs at the cellular level. GOC:go_curators GOC:isa_complete A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the endomembrane system. endomembrane organization endomembrane system organisation biological_process GO:0010256 endomembrane system organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the endomembrane system. GOC:mah GOC:sm endomembrane system organisation GOC:mah The process in which a gene's sequence is converted into a mature gene product (protein or RNA). This includes the production of an RNA transcript and its processing, translation and maturation for protein-coding genes. https://github.com/geneontology/go-ontology/issues/22557 Wikipedia:Gene_expression biological_process GO:0010467 gene expression The process in which a gene's sequence is converted into a mature gene product (protein or RNA). This includes the production of an RNA transcript and its processing, translation and maturation for protein-coding genes. GOC:txnOH-2018 PMID:25934543 PMID:31580950 Any process that modulates the levels of hormone within an organism or a tissue. A hormone is any substance formed in very small amounts in one specialized organ or group of cells and carried (sometimes in the bloodstream) to another organ or group of cells in the same organism, upon which it has a specific regulatory action. biological_process GO:0010817 regulation of hormone levels Any process that modulates the levels of hormone within an organism or a tissue. A hormone is any substance formed in very small amounts in one specialized organ or group of cells and carried (sometimes in the bloodstream) to another organ or group of cells in the same organism, upon which it has a specific regulatory action. GOC:BHF GOC:dph GOC:tb A collection of membranous structures involved in transport within the cell. The main components of the endomembrane system are endoplasmic reticulum, Golgi bodies, vesicles, cell membrane and nuclear envelope. Members of the endomembrane system pass materials through each other or though the use of vesicles. Wikipedia:Endomembrane_system cellular_component GO:0012505 endomembrane system A collection of membranous structures involved in transport within the cell. The main components of the endomembrane system are endoplasmic reticulum, Golgi bodies, vesicles, cell membrane and nuclear envelope. Members of the endomembrane system pass materials through each other or though the use of vesicles. GOC:lh The chemical reactions and pathways involving formate, also known as methanoate, the anion HCOO- derived from methanoic (formic) acid. formate metabolism biological_process GO:0015942 formate metabolic process The chemical reactions and pathways involving formate, also known as methanoate, the anion HCOO- derived from methanoic (formic) acid. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of formate, also known as methanoate, the anion HCOO- derived from methanoic (formic) acid. formate anabolism formate biosynthesis formate formation formate synthesis formic acid biosynthesis formic acid biosynthetic process biological_process GO:0015943 formate biosynthetic process The chemical reactions and pathways resulting in the formation of formate, also known as methanoate, the anion HCOO- derived from methanoic (formic) acid. ISBN:0198506732 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. 2014-03-06T11:37:54Z GO:0016021 GO:0098589 GO:0098805 Wikipedia:Biological_membrane Wikipedia:Transmembrane_protein integral component of membrane integral to membrane membrane region region of membrane whole membrane cellular_component transmembrane GO:0016020 membrane membrane A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GOC:dos GOC:mah ISBN:0815316194 transmembrane GOC:mah A process that results in the assembly, arrangement of constituent parts, or disassembly of a cellular component. GO:0044235 GO:0071842 cell organisation cellular component organisation at cellular level cellular component organisation in other organism cellular component organization at cellular level cellular component organization in other organism biological_process cell organization and biogenesis GO:0016043 cellular component organization A process that results in the assembly, arrangement of constituent parts, or disassembly of a cellular component. GOC:ai GOC:jl GOC:mah cellular component organisation at cellular level GOC:mah cellular component organisation in other organism GOC:mah cell organization and biogenesis GOC:mah The chemical reactions and pathways resulting in the formation of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0006093 anabolic carbohydrate metabolic process anabolic carbohydrate metabolism carbohydrate anabolism carbohydrate biosynthesis carbohydrate formation carbohydrate synthesis biological_process GO:0016051 carbohydrate biosynthetic process The chemical reactions and pathways resulting in the formation of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of organic acids, any acidic compound containing carbon in covalent linkage. organic acid anabolism organic acid biosynthesis organic acid formation organic acid synthesis biological_process GO:0016053 organic acid biosynthetic process The chemical reactions and pathways resulting in the formation of organic acids, any acidic compound containing carbon in covalent linkage. ISBN:0198506732 The cellular chemical reactions and pathways involving RNA, ribonucleic acid, one of the two main type of nucleic acid, consisting of a long, unbranched macromolecule formed from ribonucleotides joined in 3',5'-phosphodiester linkage. RNA metabolism biological_process GO:0016070 RNA metabolic process The cellular chemical reactions and pathways involving RNA, ribonucleic acid, one of the two main type of nucleic acid, consisting of a long, unbranched macromolecule formed from ribonucleotides joined in 3',5'-phosphodiester linkage. ISBN:0198506732 The chemical reactions and pathways involving tetraterpenoid compounds, terpenoids with eight isoprene units. tetraterpenoid metabolism tetraterpene metabolic process tetraterpene metabolism biological_process GO:0016108 tetraterpenoid metabolic process The chemical reactions and pathways involving tetraterpenoid compounds, terpenoids with eight isoprene units. ISBN:0198547684 The chemical reactions and pathways resulting in the formation of tetraterpenoid compounds, terpenoids with eight isoprene units. tetraterpenoid anabolism tetraterpenoid biosynthesis tetraterpenoid formation tetraterpenoid synthesis tetraterpene biosynthesis tetraterpene biosynthetic process biological_process GO:0016109 tetraterpenoid biosynthetic process The chemical reactions and pathways resulting in the formation of tetraterpenoid compounds, terpenoids with eight isoprene units. GOC:go_curators The chemical reactions and pathways resulting in the formation of terpenoids, any member of a class of compounds characterized by an isoprenoid chemical structure. Wikipedia:Terpenoid terpenoid anabolism terpenoid biosynthesis terpenoid formation terpenoid synthesis biological_process GO:0016114 terpenoid biosynthetic process The chemical reactions and pathways resulting in the formation of terpenoids, any member of a class of compounds characterized by an isoprenoid chemical structure. GOC:ai The chemical reactions and pathways involving carotenoids, tetraterpenoid compounds in which two units of 4 isoprenoid residues joined head-to-tail are themselves joined tail-to-tail. carotenoid metabolism biological_process GO:0016116 carotenoid metabolic process The chemical reactions and pathways involving carotenoids, tetraterpenoid compounds in which two units of 4 isoprenoid residues joined head-to-tail are themselves joined tail-to-tail. ISBN:0198547684 The chemical reactions and pathways resulting in the formation of carotenoids, tetraterpenoid compounds in which two units of 4 isoprenoid residues joined head-to-tail are themselves joined tail-to-tail. MetaCyc:CAROTENOID-PWY carotenoid anabolism carotenoid biosynthesis carotenoid formation carotenoid synthesis biological_process GO:0016117 carotenoid biosynthetic process The chemical reactions and pathways resulting in the formation of carotenoids, tetraterpenoid compounds in which two units of 4 isoprenoid residues joined head-to-tail are themselves joined tail-to-tail. GOC:go_curators The chemical reactions and pathways involving carotenes, hydrocarbon carotenoids. carotene metabolism biological_process GO:0016119 carotene metabolic process The chemical reactions and pathways involving carotenes, hydrocarbon carotenoids. ISBN:0198547684 The chemical reactions and pathways resulting in the formation of carotenes, hydrocarbon carotenoids. carotene anabolism carotene biosynthesis carotene formation carotene synthesis biological_process GO:0016120 carotene biosynthetic process The chemical reactions and pathways resulting in the formation of carotenes, hydrocarbon carotenoids. GOC:go_curators true Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. Reactome:R-HSA-6788855 Reactome:R-HSA-6788867 phosphokinase activity molecular_function GO:0016301 Note that this term encompasses all activities that transfer a single phosphate group; although ATP is by far the most common phosphate donor, reactions using other phosphate donors are included in this term. kinase activity Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. ISBN:0198506732 Reactome:R-HSA-6788855 FN3KRP phosphorylates PsiAm, RibAm Reactome:R-HSA-6788867 FN3K phosphorylates ketosamines Binding to an amino acid, organic acids containing one or more amino substituents. molecular_function GO:0016597 amino acid binding Binding to an amino acid, organic acids containing one or more amino substituents. GOC:ai Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2. EC:2.-.-.- Reactome:R-HSA-1483089 Reactome:R-HSA-1483186 Reactome:R-HSA-5668414 Reactome:R-HSA-8868783 molecular_function GO:0016740 transferase activity Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2. ISBN:0198506732 Reactome:R-HSA-1483089 PE is converted to PS by PTDSS2 Reactome:R-HSA-1483186 PC is converted to PS by PTDSS1 Reactome:R-HSA-5668414 TRAF2 ubiquitinates cIAP1,2 in cIAP1,2:TRAF1:TRAF2:TRAF3:NIK Reactome:R-HSA-8868783 TSR3 transfers aminocarboxypropyl group from S-adenosylmethionine to N(1)-methylpseudouridine-1248 of 18SE rRNA yielding N(1)-methyl-N(3)-aminocarboxypropylpseudouridine-1248 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor). EC:2.7.-.- molecular_function GO:0016772 Note that this term encompasses all kinase activities, as well as activities that transfer other phosphorus-containing groups such as diphosphate or nucleotides. transferase activity, transferring phosphorus-containing groups Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor). GOC:jl ISBN:0198506732 Binding to a peptide with hormonal activity in animals. polypeptide hormone binding molecular_function GO:0017046 peptide hormone binding Binding to a peptide with hormonal activity in animals. GOC:jl ISBN:0198506732 The chemical reactions and pathways resulting in the formation of heterocyclic compounds, those with a cyclic molecular structure and at least two different atoms in the ring (or rings). heterocycle anabolism heterocycle biosynthesis heterocycle formation heterocycle synthesis biological_process GO:0018130 heterocycle biosynthetic process The chemical reactions and pathways resulting in the formation of heterocyclic compounds, those with a cyclic molecular structure and at least two different atoms in the ring (or rings). ISBN:0198547684 The chemical reactions and pathways involving a phenol, any compound containing one or more hydroxyl groups directly attached to an aromatic carbon ring. UM-BBD_pathwayID:phe carbolic acid metabolic process carbolic acid metabolism hydroxybenzene metabolic process hydroxybenzene metabolism phenol-containing compound metabolism biological_process GO:0018958 Note that phenol metabolism is not included as a child of 'xenobiotic metabolism' because although it is synthesized industrially, phenol is also found naturally in animal wastes and other organic materials. It is often formed by the activity of microorganisms, which can chemically modify a variety of xenobiotic and naturally occurring phenolic compounds. phenol-containing compound metabolic process The chemical reactions and pathways involving a phenol, any compound containing one or more hydroxyl groups directly attached to an aromatic carbon ring. ISBN:0198506732 Modulates the activity of a kinase, an enzyme which catalyzes of the transfer of a phosphate group, usually from ATP, to a substrate molecule. molecular_function GO:0019207 kinase regulator activity Modulates the activity of a kinase, an enzyme which catalyzes of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GOC:ai Binds to and increases the activity of a kinase, an enzyme which catalyzes of the transfer of a phosphate group, usually from ATP, to a substrate molecule. molecular_function GO:0019209 kinase activator activity Binds to and increases the activity of a kinase, an enzyme which catalyzes of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GOC:ai Binds to and stops, prevents or reduces the activity of a kinase. molecular_function GO:0019210 kinase inhibitor activity Binds to and stops, prevents or reduces the activity of a kinase. GOC:mah The chemical reactions and pathways involving a hexose, any monosaccharide with a chain of six carbon atoms in the molecule. hexose metabolism biological_process GO:0019318 hexose metabolic process The chemical reactions and pathways involving a hexose, any monosaccharide with a chain of six carbon atoms in the molecule. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of hexose, any monosaccharide with a chain of six carbon atoms in the molecule. hexose anabolism hexose biosynthesis hexose formation hexose synthesis biological_process GO:0019319 hexose biosynthetic process The chemical reactions and pathways resulting in the formation of hexose, any monosaccharide with a chain of six carbon atoms in the molecule. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of acetate, the anion of acetic acid. acetate anabolism acetate biosynthesis acetate formation acetate synthesis biological_process GO:0019413 acetate biosynthetic process The chemical reactions and pathways resulting in the formation of acetate, the anion of acetic acid. GOC:go_curators The chemical reactions and pathways resulting in the formation of aromatic compounds, any substance containing an aromatic carbon ring. aromatic compound anabolism aromatic compound biosynthesis aromatic compound formation aromatic compound synthesis aromatic hydrocarbon biosynthesis aromatic hydrocarbon biosynthetic process biological_process GO:0019438 aromatic compound biosynthetic process The chemical reactions and pathways resulting in the formation of aromatic compounds, any substance containing an aromatic carbon ring. GOC:ai The chemical reactions and pathways involving a protein. Includes protein modification. https://github.com/geneontology/go-ontology/issues/23112 GO:0006411 GO:0044267 GO:0044268 Wikipedia:Protein_metabolism cellular protein metabolic process cellular protein metabolism protein metabolic process and modification protein metabolism protein metabolism and modification multicellular organismal protein metabolic process biological_process GO:0019538 protein metabolic process The chemical reactions and pathways involving a protein. Includes protein modification. GOC:ma The chemical reactions and pathways involving any butyrate, the anions of butyric acid (butanoic acid), a saturated, unbranched aliphatic acid. GO:0043437 butanoic acid metabolic process butanoic acid metabolism butyrate metabolism butyric acid metabolic process butyric acid metabolism biological_process GO:0019605 butyrate metabolic process The chemical reactions and pathways involving any butyrate, the anions of butyric acid (butanoic acid), a saturated, unbranched aliphatic acid. ISBN:0198506732 The chemical reactions and pathways involving organophosphates, any phosphate-containing organic compound. organophosphate metabolism biological_process GO:0019637 organophosphate metabolic process The chemical reactions and pathways involving organophosphates, any phosphate-containing organic compound. ISBN:0198506732 The chemical reactions and pathways resulting in many of the chemical changes of compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon. In multicellular organisms secondary metabolism is generally carried out in specific cell types, and may be useful for the organism as a whole. In unicellular organisms, secondary metabolism is often used for the production of antibiotics or for the utilization and acquisition of unusual nutrients. Wikipedia:Secondary_metabolism secondary metabolism secondary metabolite metabolic process secondary metabolite metabolism biological_process GO:0019748 secondary metabolic process The chemical reactions and pathways resulting in many of the chemical changes of compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon. In multicellular organisms secondary metabolism is generally carried out in specific cell types, and may be useful for the organism as a whole. In unicellular organisms, secondary metabolism is often used for the production of antibiotics or for the utilization and acquisition of unusual nutrients. GOC:go_curators The chemical reactions and pathways involving carboxylic acids, any organic acid containing one or more carboxyl (COOH) groups or anions (COO-). carboxylic acid metabolism biological_process GO:0019752 carboxylic acid metabolic process The chemical reactions and pathways involving carboxylic acids, any organic acid containing one or more carboxyl (COOH) groups or anions (COO-). ISBN:0198506732 Binding to oxygen (O2). cytochrome P450 molecular_function cytochrome P450 activity GO:0019825 oxygen binding Binding to oxygen (O2). GOC:jl Binding to an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues. molecular_function GO:0019840 isoprenoid binding Binding to an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues. GOC:jl A cellular process that results in the breakdown of a cellular component. GO:0071845 cell structure disassembly cellular component disassembly at cellular level biological_process GO:0022411 cellular component disassembly A cellular process that results in the breakdown of a cellular component. GOC:isa_complete The aggregation, arrangement and bonding together of a cellular component. GO:0071844 cell structure assembly cellular component assembly at cellular level biological_process GO:0022607 cellular component assembly The aggregation, arrangement and bonding together of a cellular component. GOC:isa_complete A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a complex containing RNA and proteins. Includes the biosynthesis of the constituent RNA and protein molecules, and those macromolecular modifications that are involved in synthesis or assembly of the ribonucleoprotein complex. RNA-protein complex biogenesis ribonucleoprotein complex biogenesis and assembly biological_process GO:0022613 ribonucleoprotein complex biogenesis A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a complex containing RNA and proteins. Includes the biosynthesis of the constituent RNA and protein molecules, and those macromolecular modifications that are involved in synthesis or assembly of the ribonucleoprotein complex. GOC:isa_complete GOC:mah RNA-protein complex biogenesis GOC:mah ribonucleoprotein complex biogenesis and assembly GOC:mah The aggregation, arrangement and bonding together of proteins and RNA molecules to form a ribonucleoprotein complex. RNA-protein complex assembly RNP complex assembly protein-RNA complex assembly biological_process GO:0022618 ribonucleoprotein complex assembly The aggregation, arrangement and bonding together of proteins and RNA molecules to form a ribonucleoprotein complex. GOC:jl Binds to and modulates the activity of an enzyme. GO:0010576 catalytic regulator activity enzyme modulator metalloenzyme regulator activity molecular_function GO:0030234 This term should only be used in cases when the regulator directly interacts with the enzyme. enzyme regulator activity Binds to and modulates the activity of an enzyme. GOC:dph GOC:mah GOC:tb catalytic regulator activity GOC:dph Binding to a carbohydrate, which includes monosaccharides, oligosaccharides and polysaccharides as well as substances derived from monosaccharides by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom. Cyclitols are generally not regarded as carbohydrates. GO:0005529 sugar binding molecular_function selectin GO:0030246 carbohydrate binding Binding to a carbohydrate, which includes monosaccharides, oligosaccharides and polysaccharides as well as substances derived from monosaccharides by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom. Cyclitols are generally not regarded as carbohydrates. GOC:mah Binding to a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically. GO:0002506 polysaccharide assembly with MHC class II protein complex molecular_function GO:0030247 polysaccharide binding Binding to a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically. GOC:mah The controlled breakdown of any cell membrane in the context of a normal process such as autophagy. membrane breakdown membrane catabolism membrane degradation biological_process GO:0030397 membrane disassembly The controlled breakdown of any cell membrane in the context of a normal process such as autophagy. GOC:mah A membrane that is one of the two lipid bilayers of an organelle envelope or the outermost membrane of single membrane bound organelle. NIF_Subcellular:sao830981606 cellular_component intracellular membrane GO:0031090 organelle membrane A membrane that is one of the two lipid bilayers of an organelle envelope or the outermost membrane of single membrane bound organelle. GOC:dos GOC:mah intracellular membrane NIF_Subcellular:sao830981606 Binding to a carboxylic acid, an organic acid containing one or more carboxyl (COOH) groups or anions (COO-). molecular_function GO:0031406 carboxylic acid binding Binding to a carboxylic acid, an organic acid containing one or more carboxyl (COOH) groups or anions (COO-). GOC:mah ISBN:0198506732 Either of the lipid bilayers that surround the nucleus and form the nuclear envelope; excludes the intermembrane space. NIF_Subcellular:sao1687101204 cellular_component GO:0031965 nuclear membrane Either of the lipid bilayers that surround the nucleus and form the nuclear envelope; excludes the intermembrane space. GOC:mah GOC:pz A double membrane structure enclosing an organelle, including two lipid bilayers and the region between them. In some cases, an organelle envelope may have more than two membranes. cellular_component GO:0031967 organelle envelope A double membrane structure enclosing an organelle, including two lipid bilayers and the region between them. In some cases, an organelle envelope may have more than two membranes. GOC:mah GOC:pz A multilayered structure surrounding all or part of a cell; encompasses one or more lipid bilayers, and may include a cell wall layer; also includes the space between layers. cellular_component GO:0031975 envelope A multilayered structure surrounding all or part of a cell; encompasses one or more lipid bilayers, and may include a cell wall layer; also includes the space between layers. GOC:mah GOC:pz The chemical reactions and pathways involving aldosterone, a corticosteroid hormone that is produced by the zona glomerulosa of the adrenal cortex and regulates salt (sodium and potassium) and water balance. aldosterone metabolism biological_process GO:0032341 aldosterone metabolic process The chemical reactions and pathways involving aldosterone, a corticosteroid hormone that is produced by the zona glomerulosa of the adrenal cortex and regulates salt (sodium and potassium) and water balance. PMID:16527843 The chemical reactions and pathways resulting in the formation of aldosterone, a corticosteroid hormone that is produced by the zona glomerulosa of the adrenal cortex and regulates salt (sodium and potassium) and water balance. biological_process GO:0032342 aldosterone biosynthetic process The chemical reactions and pathways resulting in the formation of aldosterone, a corticosteroid hormone that is produced by the zona glomerulosa of the adrenal cortex and regulates salt (sodium and potassium) and water balance. PMID:16527843 Any biological process, occurring at the level of a multicellular organism, pertinent to its function. jl 2012-09-19T16:07:47Z GO:0044707 GO:0050874 organismal physiological process biological_process single-multicellular organism process GO:0032501 multicellular organismal process Any biological process, occurring at the level of a multicellular organism, pertinent to its function. GOC:curators GOC:dph GOC:isa_complete GOC:tb The chemical reactions and pathways resulting in the formation of RNA, ribonucleic acid, one of the two main type of nucleic acid, consisting of a long, unbranched macromolecule formed from ribonucleotides joined in 3',5'-phosphodiester linkage. Includes polymerization of ribonucleotide monomers. Refers not only to transcription but also to e.g. viral RNA replication. GO:0062103 RNA anabolism RNA biosynthesis RNA formation RNA synthesis double-stranded RNA biosynthesis double-stranded RNA biosynthetic process dsRNA biosynthesis dsRNA biosynthetic process biological_process GO:0032774 Note that, in some cases, viral RNA replication and viral transcription from RNA actually refer to the same process, but may be called differently depending on the focus of a specific research study. RNA biosynthetic process The chemical reactions and pathways resulting in the formation of RNA, ribonucleic acid, one of the two main type of nucleic acid, consisting of a long, unbranched macromolecule formed from ribonucleotides joined in 3',5'-phosphodiester linkage. Includes polymerization of ribonucleotide monomers. Refers not only to transcription but also to e.g. viral RNA replication. GOC:mah GOC:txnOH dsRNA biosynthetic process GOC:BHF GOC:BHF_telomere GOC:nc GOC:rl The chemical reactions and pathways involving monocarboxylic acids, any organic acid containing one carboxyl (COOH) group or anion (COO-). monocarboxylate metabolic process monocarboxylic acid metabolism biological_process GO:0032787 monocarboxylic acid metabolic process The chemical reactions and pathways involving monocarboxylic acids, any organic acid containing one carboxyl (COOH) group or anion (COO-). GOC:vk The disaggregation of a protein-containing macromolecular complex into its constituent components. https://github.com/geneontology/go-ontology/issues/22580 GO:0034623 GO:0043241 GO:0043624 protein complex disassembly biological_process cellular macromolecule complex disassembly cellular protein complex disassembly macromolecule complex disassembly GO:0032984 protein-containing complex disassembly The disaggregation of a protein-containing macromolecular complex into its constituent components. GOC:mah The disaggregation of a protein-RNA complex into its constituent components. RNA-protein complex disassembly RNP complex disassembly protein-RNA complex disassembly biological_process GO:0032988 ribonucleoprotein complex disassembly The disaggregation of a protein-RNA complex into its constituent components. GOC:mah A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together. GO:0043234 macromolecular complex macromolecule complex protein containing complex protein complex protein-protein complex cellular_component GO:0032991 A protein complex in this context is meant as a stable set of interacting proteins which can be co-purified by an acceptable method, and where the complex has been shown to exist as an isolated, functional unit in vivo. Acceptable experimental methods include stringent protein purification followed by detection of protein interaction. The following methods should be considered non-acceptable: simple immunoprecipitation, pull-down experiments from cell extracts without further purification, colocalization and 2-hybrid screening. Interactions that should not be captured as protein complexes include: 1) enzyme/substrate, receptor/ligand or any similar transient interactions, unless these are a critical part of the complex assembly or are required e.g. for the receptor to be functional; 2) proteins associated in a pull-down/co-immunoprecipitation assay with no functional link or any evidence that this is a defined biological entity rather than a loose-affinity complex; 3) any complex where the only evidence is based on genetic interaction data; 4) partial complexes, where some subunits (e.g. transmembrane ones) cannot be expressed as recombinant proteins and are excluded from experiments (in this case, independent evidence is necessary to find out the composition of the full complex, if known). Interactions that may be captured as protein complexes include: 1) enzyme/substrate or receptor/ligand if the complex can only assemble and become functional in the presence of both classes of subunits; 2) complexes where one of the members has not been shown to be physically linked to the other(s), but is a homologue of, and has the same functionality as, a protein that has been experimentally demonstrated to form a complex with the other member(s); 3) complexes whose existence is accepted based on localization and pharmacological studies, but for which experimental evidence is not yet available for the complex as a whole. protein-containing complex A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together. GOC:dos GOC:mah Binding to an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group. molecular_function GO:0033218 amide binding Binding to an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group. GOC:mah Binding to a monocarboxylic acid, any organic acid containing one carboxyl (COOH) group or anion (COO-). molecular_function GO:0033293 monocarboxylic acid binding Binding to a monocarboxylic acid, any organic acid containing one carboxyl (COOH) group or anion (COO-). GOC:mah Binding to an apolipoprotein, the protein component of a lipoprotein complex. molecular_function GO:0034185 apolipoprotein binding Binding to an apolipoprotein, the protein component of a lipoprotein complex. GOC:BHF GOC:rl The chemical reactions and pathways involving primary alcohols. A primary alcohol is any alcohol in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. monohydric alcohol metabolic process primary alcohol metabolism biological_process GO:0034308 primary alcohol metabolic process The chemical reactions and pathways involving primary alcohols. A primary alcohol is any alcohol in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. GOC:mah primary alcohol metabolism GOC:mah The chemical reactions and pathways resulting in the formation of primary alcohols. A primary alcohol is any alcohol in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. monohydric alcohol biosynthetic process primary alcohol anabolism primary alcohol biosynthesis primary alcohol formation primary alcohol synthesis biological_process GO:0034309 primary alcohol biosynthetic process The chemical reactions and pathways resulting in the formation of primary alcohols. A primary alcohol is any alcohol in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. GOC:mah primary alcohol anabolism GOC:mah primary alcohol biosynthesis GOC:mah primary alcohol formation GOC:mah primary alcohol synthesis GOC:mah The chemical reactions and pathways involving various organic and inorganic nitrogenous compounds, as carried out by individual cells. cellular nitrogen compound metabolism biological_process GO:0034641 cellular nitrogen compound metabolic process The chemical reactions and pathways involving various organic and inorganic nitrogenous compounds, as carried out by individual cells. GOC:mah The chemical reactions and pathways resulting in the formation of a macromolecule, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass, carried out by individual cells. GO:0034961 cellular biopolymer biosynthetic process cellular macromolecule anabolism cellular macromolecule biosynthesis cellular macromolecule formation cellular macromolecule synthesis biological_process GO:0034645 cellular macromolecule biosynthetic process The chemical reactions and pathways resulting in the formation of a macromolecule, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass, carried out by individual cells. GOC:mah cellular biopolymer biosynthetic process GOC:mtg_chebi_dec09 cellular macromolecule anabolism GOC:mah cellular macromolecule biosynthesis GOC:mah cellular macromolecule formation GOC:mah cellular macromolecule synthesis GOC:mah The chemical reactions and pathways resulting in the formation of nucleobases, nucleosides, nucleotides and nucleic acids. nucleobase, nucleoside, nucleotide and nucleic acid anabolism nucleobase, nucleoside, nucleotide and nucleic acid biosynthesis nucleobase, nucleoside, nucleotide and nucleic acid formation nucleobase, nucleoside, nucleotide and nucleic acid synthesis biological_process GO:0034654 nucleobase-containing compound biosynthetic process The chemical reactions and pathways resulting in the formation of nucleobases, nucleosides, nucleotides and nucleic acids. GOC:mah Binding to dopamine, a catecholamine neurotransmitter formed by aromatic-L-amino-acid decarboxylase from 3,4-dihydroxy-L-phenylalanine. molecular_function GO:0035240 dopamine binding Binding to dopamine, a catecholamine neurotransmitter formed by aromatic-L-amino-acid decarboxylase from 3,4-dihydroxy-L-phenylalanine. ISBN:0198506732 The chemical reactions and pathways involving an indole alkaloid, an alkaloid containing an indole skeleton. bf 2011-05-04T03:17:44Z indole alkaloid metabolism biological_process GO:0035834 indole alkaloid metabolic process The chemical reactions and pathways involving an indole alkaloid, an alkaloid containing an indole skeleton. GOC:yaf indole alkaloid metabolism GOC:bf The chemical reactions and pathways resulting in the formation of an indole alkaloid, an alkaloid containing an indole skeleton. bf 2011-05-04T03:18:31Z indole alkaloid anabolism indole alkaloid biosynthesis indole alkaloid formation indole alkaloid synthesis biological_process GO:0035835 indole alkaloid biosynthetic process The chemical reactions and pathways resulting in the formation of an indole alkaloid, an alkaloid containing an indole skeleton. GOC:yaf indole alkaloid anabolism GOC:bf indole alkaloid biosynthesis GOC:bf indole alkaloid formation GOC:bf indole alkaloid synthesis GOC:bf Binding to a small molecule, any low molecular weight, monomeric, non-encoded molecule. bf 2012-01-17T04:20:34Z molecular_function GO:0036094 Small molecules in GO include monosaccharides but exclude disaccharides and polysaccharides. small molecule binding Binding to a small molecule, any low molecular weight, monomeric, non-encoded molecule. GOC:curators GOC:pde GOC:pm The chemical reactions and pathways involving neurotransmitters, any of a group of substances that are released on excitation from the axon terminal of a presynaptic neuron of the central or peripheral nervous system and travel across the synaptic cleft to either excite or inhibit the target cell. neurotransmitter metabolism biological_process GO:0042133 neurotransmitter metabolic process The chemical reactions and pathways involving neurotransmitters, any of a group of substances that are released on excitation from the axon terminal of a presynaptic neuron of the central or peripheral nervous system and travel across the synaptic cleft to either excite or inhibit the target cell. GOC:jl The chemical reactions and pathways resulting in the formation of any of a group of substances that are released on excitation from the axon terminal of a presynaptic neuron of the central or peripheral nervous system and travel across the synaptic cleft to either excite or inhibit the target cell. neurotransmitter biosynthesis and storage neurotransmitter biosynthetic process and storage neurotransmitter anabolism neurotransmitter biosynthesis neurotransmitter formation neurotransmitter synthesis biological_process GO:0042136 neurotransmitter biosynthetic process The chemical reactions and pathways resulting in the formation of any of a group of substances that are released on excitation from the axon terminal of a presynaptic neuron of the central or peripheral nervous system and travel across the synaptic cleft to either excite or inhibit the target cell. GOC:jl The chemical reactions and pathways involving any conjugated, water-soluble protein in which the covalently attached nonprotein group consists of a lipid or lipids. lipoprotein metabolism biological_process GO:0042157 lipoprotein metabolic process The chemical reactions and pathways involving any conjugated, water-soluble protein in which the covalently attached nonprotein group consists of a lipid or lipids. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of any conjugated, water-soluble protein in which the covalently attached nonprotein group consists of a lipid or lipids. lipoprotein anabolism lipoprotein biosynthesis lipoprotein formation lipoprotein synthesis biological_process GO:0042158 lipoprotein biosynthetic process The chemical reactions and pathways resulting in the formation of any conjugated, water-soluble protein in which the covalently attached nonprotein group consists of a lipid or lipids. ISBN:0198506732 Binding to a neurotransmitter, any chemical substance that is capable of transmitting (or inhibiting the transmission of) a nerve impulse from a neuron to another cell. molecular_function GO:0042165 neurotransmitter binding Binding to a neurotransmitter, any chemical substance that is capable of transmitting (or inhibiting the transmission of) a nerve impulse from a neuron to another cell. ISBN:0198506732 Binding to acetylcholine, an acetic acid ester of the organic base choline that functions as a neurotransmitter, released at the synapses of parasympathetic nerves and at neuromuscular junctions. molecular_function GO:0042166 acetylcholine binding Binding to acetylcholine, an acetic acid ester of the organic base choline that functions as a neurotransmitter, released at the synapses of parasympathetic nerves and at neuromuscular junctions. GOC:ai The chemical reactions and pathways involving any of a class of organic compounds that contain the carbonyl group, CO, and in which the carbonyl group is bonded only to carbon atoms, as carried out by individual cells. The general formula for a ketone is RCOR, where R and R are alkyl or aryl groups. ketone metabolism biological_process GO:0042180 cellular ketone metabolic process The chemical reactions and pathways involving any of a class of organic compounds that contain the carbonyl group, CO, and in which the carbonyl group is bonded only to carbon atoms, as carried out by individual cells. The general formula for a ketone is RCOR, where R and R are alkyl or aryl groups. GOC:jl ISBN:0787650153 The chemical reactions and pathways resulting in the formation of ketones, a class of organic compounds that contain the carbonyl group, CO, and in which the carbonyl group is bonded only to carbon atoms. The general formula for a ketone is RCOR, where R and R are alkyl or aryl groups. ketone anabolism ketone biosynthesis ketone formation ketone synthesis biological_process GO:0042181 ketone biosynthetic process The chemical reactions and pathways resulting in the formation of ketones, a class of organic compounds that contain the carbonyl group, CO, and in which the carbonyl group is bonded only to carbon atoms. The general formula for a ketone is RCOR, where R and R are alkyl or aryl groups. GOC:go_curators The chemical reactions and pathways involving terpenes, any of a large group of hydrocarbons that are made up of isoprene (C5H8) units which may be cyclic, acyclic or multicyclic, saturated or unsaturated, and may contain various functional groups. terpene metabolism biological_process GO:0042214 terpene metabolic process The chemical reactions and pathways involving terpenes, any of a large group of hydrocarbons that are made up of isoprene (C5H8) units which may be cyclic, acyclic or multicyclic, saturated or unsaturated, and may contain various functional groups. GOC:curators Binding to a peptide, an organic compound comprising two or more amino acids linked by peptide bonds. molecular_function GO:0042277 peptide binding Binding to a peptide, an organic compound comprising two or more amino acids linked by peptide bonds. GOC:jl Binding to a phosphate ion. molecular_function GO:0042301 phosphate ion binding Binding to a phosphate ion. GOC:jl The chemical reactions and pathways occurring at the level of individual cells resulting in the formation of any of a group of naturally occurring, biologically active amines, such as norepinephrine, histamine, and serotonin, many of which act as neurotransmitters. biogenic amine anabolism biogenic amine biosynthesis biogenic amine formation biogenic amine synthesis cellular biogenic amine biosynthetic process biological_process GO:0042401 biogenic amine biosynthetic process The chemical reactions and pathways occurring at the level of individual cells resulting in the formation of any of a group of naturally occurring, biologically active amines, such as norepinephrine, histamine, and serotonin, many of which act as neurotransmitters. GOC:jl ISBN:0395825172 The chemical reactions and pathways involving epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine. adrenaline metabolic process adrenaline metabolism epinephrine metabolism biological_process GO:0042414 epinephrine metabolic process The chemical reactions and pathways involving epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine. GOC:jl ISBN:0192801023 ISBN:0198506732 The chemical reactions and pathways resulting in the formation of dopamine, a catecholamine neurotransmitter and a metabolic precursor of noradrenaline and adrenaline. dopamine anabolism dopamine biosynthesis dopamine formation dopamine synthesis biological_process GO:0042416 dopamine biosynthetic process The chemical reactions and pathways resulting in the formation of dopamine, a catecholamine neurotransmitter and a metabolic precursor of noradrenaline and adrenaline. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving dopamine, a catecholamine neurotransmitter and a metabolic precursor of noradrenaline and adrenaline. dopamine metabolism biological_process GO:0042417 dopamine metabolic process The chemical reactions and pathways involving dopamine, a catecholamine neurotransmitter and a metabolic precursor of noradrenaline and adrenaline. GOC:jl ISBN:0198506732 The chemical reactions and pathways resulting in the formation of epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine. adrenaline biosynthesis adrenaline biosynthetic process epinephrine anabolism epinephrine biosynthesis epinephrine formation epinephrine synthesis biological_process GO:0042418 epinephrine biosynthetic process The chemical reactions and pathways resulting in the formation of epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine. GOC:jl ISBN:0192801023 ISBN:0198506732 The chemical reactions and pathways resulting in the formation of any of a group of physiologically important biogenic amines that possess a catechol (3,4-dihydroxyphenyl) nucleus and are derivatives of 3,4-dihydroxyphenylethylamine. Wikipedia:Catecholamines catecholamine anabolism catecholamine biosynthesis catecholamine formation catecholamine synthesis biological_process GO:0042423 catecholamine biosynthetic process The chemical reactions and pathways resulting in the formation of any of a group of physiologically important biogenic amines that possess a catechol (3,4-dihydroxyphenyl) nucleus and are derivatives of 3,4-dihydroxyphenylethylamine. GOC:jl ISBN:0198506732 The chemical reactions and pathways resulting in the formation of serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties. Wikipedia:Serotonin serotonin anabolism serotonin biosynthesis serotonin formation serotonin synthesis biological_process GO:0042427 serotonin biosynthetic process The chemical reactions and pathways resulting in the formation of serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties. serotonin metabolism biological_process GO:0042428 serotonin metabolic process The chemical reactions and pathways involving serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving compounds that contain an indole (2,3-benzopyrrole) skeleton. GO:0042434 indole and derivative metabolic process indole and derivative metabolism indole-containing compound metabolism ketole metabolic process ketole metabolism indole derivative metabolic process indole derivative metabolism biological_process GO:0042430 indole-containing compound metabolic process The chemical reactions and pathways involving compounds that contain an indole (2,3-benzopyrrole) skeleton. GOC:jl GOC:mah The chemical reactions and pathways resulting in the formation of compounds that contain an indole (2,3-benzopyrrole) skeleton. indole derivative biosynthesis indole derivative biosynthetic process indole-containing compound anabolism indole-containing compound biosynthesis indole-containing compound formation indole-containing compound synthesis biological_process GO:0042435 indole-containing compound biosynthetic process The chemical reactions and pathways resulting in the formation of compounds that contain an indole (2,3-benzopyrrole) skeleton. GOC:jl The chemical reactions and pathways involving pigment, any general or particular coloring matter in living organisms, e.g. melanin. pigment metabolism biological_process GO:0042440 pigment metabolic process The chemical reactions and pathways involving pigment, any general or particular coloring matter in living organisms, e.g. melanin. GOC:jl ISBN:0198506732 The chemical reactions and pathways involving any hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone. https://github.com/geneontology/go-ontology/issues/23965 GO:0034754 hormone metabolism biological_process cellular hormone metabolic process GO:0042445 hormone metabolic process The chemical reactions and pathways involving any hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone. GOC:jl The chemical reactions and pathways resulting in the formation of any hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone. hormone anabolism hormone biosynthesis hormone formation hormone synthesis biological_process GO:0042446 hormone biosynthetic process The chemical reactions and pathways resulting in the formation of any hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone. GOC:jl The chemical reactions and pathways involving progesterone, a steroid hormone produced in the ovary which prepares and maintains the uterus for pregnancy. Also found in plants. progesterone metabolism biological_process GO:0042448 progesterone metabolic process The chemical reactions and pathways involving progesterone, a steroid hormone produced in the ovary which prepares and maintains the uterus for pregnancy. Also found in plants. GOC:jl http://www.cogsci.princeton.edu/ Binding to an hormone, a naturally occurring substance secreted by specialized cells that affect the metabolism or behavior of cells possessing functional receptors for the hormone. Hormones may be produced by the same, or different, cell as express the receptor. molecular_function GO:0042562 hormone binding Binding to an hormone, a naturally occurring substance secreted by specialized cells that affect the metabolism or behavior of cells possessing functional receptors for the hormone. Hormones may be produced by the same, or different, cell as express the receptor. GOC:jl The specific behavior of an organism relating to the intake of liquids, especially water. drinking behaviour biological_process GO:0042756 drinking behavior The specific behavior of an organism relating to the intake of liquids, especially water. GOC:curators GOC:pr Binding to a complex of RNA and protein. RNP binding protein-RNA complex binding ribonucleoprotein binding molecular_function GO:0043021 ribonucleoprotein complex binding Binding to a complex of RNA and protein. GOC:bf GOC:go_curators GOC:vk protein-RNA complex binding GOC:bf GOC:vk ribonucleoprotein binding GOC:bf GOC:vk The chemical reactions and pathways resulting in the formation of peptides, compounds of 2 or more (but usually less than 100) amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another. This may include the translation of a precursor protein and its subsequent processing into a functional peptide. peptide anabolism peptide biosynthesis peptide formation peptide synthesis biological_process GO:0043043 peptide biosynthetic process The chemical reactions and pathways resulting in the formation of peptides, compounds of 2 or more (but usually less than 100) amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another. This may include the translation of a precursor protein and its subsequent processing into a functional peptide. GOC:dph GOC:jl Binding to an ion, a charged atoms or groups of atoms. molecular_function atom binding GO:0043167 ion binding Binding to an ion, a charged atoms or groups of atoms. GOC:jl Binding to an anion, a charged atom or group of atoms with a net negative charge. molecular_function GO:0043168 anion binding Binding to an anion, a charged atom or group of atoms with a net negative charge. GOC:jl Binding to a cation, a charged atom or group of atoms with a net positive charge. molecular_function GO:0043169 cation binding Binding to a cation, a charged atom or group of atoms with a net positive charge. GOC:jl The chemical reactions and pathways involving macromolecules, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. GO:0043283 GO:0044259 biopolymer metabolic process macromolecule metabolism organismal macromolecule metabolism multicellular organismal macromolecule metabolic process biological_process GO:0043170 macromolecule metabolic process The chemical reactions and pathways involving macromolecules, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. GOC:mah biopolymer metabolic process GOC:mtg_chebi_dec09 Binding to an amine, a weakly basic organic compound that contains an amino or a substituted amino group. molecular_function GO:0043176 amine binding Binding to an amine, a weakly basic organic compound that contains an amino or a substituted amino group. GOC:jl Binding to an organic acid, any acidic compound containing carbon in covalent linkage. molecular_function GO:0043177 organic acid binding Binding to an organic acid, any acidic compound containing carbon in covalent linkage. GOC:jl ISBN:0198506732 Binding to an alcohol, any of a class of alkyl compounds containing a hydroxyl group. molecular_function GO:0043178 alcohol binding Binding to an alcohol, any of a class of alkyl compounds containing a hydroxyl group. GOC:jl ISBN:0198506732 Binding to sulfate, SO4(2-), a negatively charged small molecule. molecular_function GO:0043199 sulfate binding Binding to sulfate, SO4(2-), a negatively charged small molecule. GOC:mlg Organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton, and prokaryotic structures such as anammoxosomes and pirellulosomes. Excludes the plasma membrane. NIF_Subcellular:sao1539965131 Wikipedia:Organelle cellular_component GO:0043226 organelle Organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton, and prokaryotic structures such as anammoxosomes and pirellulosomes. Excludes the plasma membrane. GOC:go_curators Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane. NIF_Subcellular:sao414196390 membrane-enclosed organelle cellular_component GO:0043227 membrane-bounded organelle Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane. GOC:go_curators Organized structure of distinctive morphology and function, occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane. cellular_component GO:0043229 intracellular organelle Organized structure of distinctive morphology and function, occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane. GOC:go_curators Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane and occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane. intracellular membrane-enclosed organelle cellular_component GO:0043231 intracellular membrane-bounded organelle Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane and occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane. GOC:go_curators The chemical reactions and pathways involving any oxoacid; an oxoacid is a compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). keto acid metabolic process keto acid metabolism ketoacid metabolic process ketoacid metabolism oxo acid metabolic process oxo acid metabolism oxoacid metabolism biological_process GO:0043436 oxoacid metabolic process The chemical reactions and pathways involving any oxoacid; an oxoacid is a compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). Wikipedia:Oxyacid The chemical reactions and pathways involving an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group, as carried out by individual cells. amide metabolism cellular amide metabolic process biological_process GO:0043603 amide metabolic process The chemical reactions and pathways involving an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group, as carried out by individual cells. GOC:curators The chemical reactions and pathways resulting in the formation of an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group. biological_process GO:0043604 amide biosynthetic process The chemical reactions and pathways resulting in the formation of an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group. GOC:curators Any process in which macromolecules aggregate, disaggregate, or are modified, resulting in the formation, disassembly, or alteration of a protein complex. https://github.com/geneontology/go-ontology/issues/22580 mah 2010-09-08T10:01:42Z GO:0034600 GO:0034621 GO:0071822 protein complex subunit organisation protein complex subunit organization biological_process cellular macromolecular complex organization cellular macromolecular complex subunit organisation cellular macromolecular complex subunit organization macromolecular complex organization macromolecular complex subunit organisation macromolecular complex subunit organization protein-containing complex subunit organization GO:0043933 protein-containing complex organization Any process in which macromolecules aggregate, disaggregate, or are modified, resulting in the formation, disassembly, or alteration of a protein complex. GOC:mah protein complex subunit organisation GOC:mah A process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a cellular component. Includes biosynthesis of constituent macromolecules, and those macromolecular modifications that are involved in synthesis or assembly of the cellular component. GO:0071843 cellular component biogenesis at cellular level biological_process GO:0044085 cellular component biogenesis A process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a cellular component. Includes biosynthesis of constituent macromolecules, and those macromolecular modifications that are involved in synthesis or assembly of the cellular component. GOC:jl GOC:mah A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a membrane. biological_process GO:0044091 membrane biogenesis A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a membrane. GOC:jl A ribonucleoprotein complex that contains aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator). jl 2009-10-22T02:38:55Z translation initiation (ternary) complex Met-tRNA/eIF2.GTP ternary complex cellular_component GO:0044207 translation initiation ternary complex A ribonucleoprotein complex that contains aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator). GOC:jl The chemical reactions and pathways by which individual cells transform chemical substances. cellular metabolism biological_process intermediary metabolism GO:0044237 cellular metabolic process The chemical reactions and pathways by which individual cells transform chemical substances. GOC:go_curators intermediary metabolism GOC:mah The chemical reactions and pathways involving those compounds which are formed as a part of the normal anabolic and catabolic processes. These processes take place in most, if not all, cells of the organism. primary metabolism biological_process GO:0044238 primary metabolic process The chemical reactions and pathways involving those compounds which are formed as a part of the normal anabolic and catabolic processes. These processes take place in most, if not all, cells of the organism. GOC:go_curators http://www.metacyc.org The chemical reactions and pathways resulting in the formation of substances, carried out by individual cells. cellular anabolism cellular biosynthesis cellular formation cellular synthesis biological_process GO:0044249 cellular biosynthetic process The chemical reactions and pathways resulting in the formation of substances, carried out by individual cells. GOC:jl The chemical reactions and pathways involving lipids, as carried out by individual cells. cellular lipid metabolism biological_process GO:0044255 cellular lipid metabolic process The chemical reactions and pathways involving lipids, as carried out by individual cells. GOC:jl The chemical reactions and pathways involving macromolecules, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass, as carried out by individual cells. GO:0034960 cellular biopolymer metabolic process cellular macromolecule metabolism biological_process GO:0044260 cellular macromolecule metabolic process The chemical reactions and pathways involving macromolecules, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass, as carried out by individual cells. GOC:mah cellular biopolymer metabolic process GOC:mtg_chebi_dec09 The chemical reactions and pathways resulting in the formation of organic and inorganic nitrogenous compounds. nitrogen compound anabolism nitrogen compound biosynthesis nitrogen compound formation nitrogen compound synthesis biological_process GO:0044271 cellular nitrogen compound biosynthetic process The chemical reactions and pathways resulting in the formation of organic and inorganic nitrogenous compounds. GOC:jl ISBN:0198506732 The chemical reactions and pathways resulting in the formation of compounds that contain sulfur, such as the amino acids methionine and cysteine or the tripeptide glutathione. sulfur compound anabolism sulfur compound biosynthesis sulfur compound formation sulfur compound synthesis sulfur biosynthesis sulfur biosynthetic process biological_process GO:0044272 sulfur compound biosynthetic process The chemical reactions and pathways resulting in the formation of compounds that contain sulfur, such as the amino acids methionine and cysteine or the tripeptide glutathione. GOC:jl The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule. jl 2010-01-26T12:05:20Z small molecule metabolism biological_process GO:0044281 Small molecules in GO include monosaccharides but exclude disaccharides and polysaccharides. small molecule metabolic process The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule. GOC:curators GOC:pde GOC:vw The chemical reactions and pathways resulting in the formation of small molecules, any low molecular weight, monomeric, non-encoded molecule. jl 2010-01-26T12:06:49Z small molecule biosynthesis biological_process GO:0044283 Small molecules in GO include monosaccharides but exclude disaccharides and polysaccharides. small molecule biosynthetic process The chemical reactions and pathways resulting in the formation of small molecules, any low molecular weight, monomeric, non-encoded molecule. GOC:curators GOC:pde GOC:vw The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon. jl 2012-03-29T01:55:18Z secondary metabolite biosynthesis biological_process GO:0044550 secondary metabolite biosynthetic process The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon. GOC:jl Binding to a macromolecular complex. jl 2014-12-16T11:38:58Z GO:0032403 protein complex binding molecular_function macromolecular complex binding GO:0044877 protein-containing complex binding Binding to a macromolecular complex. GOC:jl The chemical reactions and pathways resulting in the formation of a nucleobase, a nitrogenous base that is a constituent of a nucleic acid. nucleobase anabolism nucleobase biosynthesis nucleobase formation nucleobase synthesis biological_process GO:0046112 nucleobase biosynthetic process The chemical reactions and pathways resulting in the formation of a nucleobase, a nitrogenous base that is a constituent of a nucleic acid. GOC:ai The chemical reactions and pathways resulting in the formation of a pigment, any general or particular coloring matter in living organisms, e.g. melanin. pigment anabolism pigment biosynthesis pigment formation pigment synthesis biological_process GO:0046148 pigment biosynthetic process The chemical reactions and pathways resulting in the formation of a pigment, any general or particular coloring matter in living organisms, e.g. melanin. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of alcohols, any of a class of compounds containing one or more hydroxyl groups attached to a saturated carbon atom. alcohol anabolism alcohol biosynthesis alcohol formation alcohol synthesis biological_process GO:0046165 alcohol biosynthetic process The chemical reactions and pathways resulting in the formation of alcohols, any of a class of compounds containing one or more hydroxyl groups attached to a saturated carbon atom. GOC:ai The chemical reactions and pathways resulting in the formation of aldehydes, any organic compound with the formula R-CH=O. aldehyde anabolism aldehyde biosynthesis aldehyde formation aldehyde synthesis biological_process GO:0046184 aldehyde biosynthetic process The chemical reactions and pathways resulting in the formation of aldehydes, any organic compound with the formula R-CH=O. GOC:ai The chemical reactions and pathways resulting in the formation of a phenol, any compound containing one or more hydroxyl groups directly attached to an aromatic carbon ring. phenol-containing compound anabolism phenol-containing compound biosynthesis phenol-containing compound formation phenol-containing compound synthesis biological_process GO:0046189 phenol-containing compound biosynthetic process The chemical reactions and pathways resulting in the formation of a phenol, any compound containing one or more hydroxyl groups directly attached to an aromatic carbon ring. GOC:ai The chemical reactions and pathways resulting in the formation of indolalkylamines, indole or indole derivatives containing a primary, secondary, or tertiary amine group. indolalkylamine anabolism indolalkylamine biosynthesis indolalkylamine formation indolalkylamine synthesis biological_process GO:0046219 indolalkylamine biosynthetic process The chemical reactions and pathways resulting in the formation of indolalkylamines, indole or indole derivatives containing a primary, secondary, or tertiary amine group. GOC:curators The chemical reactions and pathways resulting in the formation of terpenes, any of a large group of hydrocarbons made up of isoprene units. terpene anabolism terpene biosynthesis terpene formation terpene synthesis biological_process GO:0046246 terpene biosynthetic process The chemical reactions and pathways resulting in the formation of terpenes, any of a large group of hydrocarbons made up of isoprene units. GOC:ai The chemical reactions and pathways resulting in the formation of any amino sugar, sugars containing an amino group in place of a hydroxyl group. amino sugar anabolism amino sugar biosynthesis amino sugar formation amino sugar synthesis aminosaccharide biosynthesis aminosaccharide biosynthetic process biological_process GO:0046349 amino sugar biosynthetic process The chemical reactions and pathways resulting in the formation of any amino sugar, sugars containing an amino group in place of a hydroxyl group. GOC:curators The chemical reactions and pathways resulting in the formation of butyrate, the anion of butyric acid. GO:0043439 butanoic acid anabolism butanoic acid biosynthesis butanoic acid biosynthetic process butanoic acid formation butanoic acid synthesis butyrate anabolism butyrate biosynthesis butyrate formation butyrate synthesis biological_process GO:0046358 butyrate biosynthetic process The chemical reactions and pathways resulting in the formation of butyrate, the anion of butyric acid. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of monosaccharides, polyhydric alcohols containing either an aldehyde or a keto group and between three to ten or more carbon atoms. monosaccharide anabolism monosaccharide biosynthesis monosaccharide formation monosaccharide synthesis biological_process GO:0046364 monosaccharide biosynthetic process The chemical reactions and pathways resulting in the formation of monosaccharides, polyhydric alcohols containing either an aldehyde or a keto group and between three to ten or more carbon atoms. ISBN:0198506732 The chemical reactions and pathways resulting in the formation of carboxylic acids, any organic acid containing one or more carboxyl (-COOH) groups. carboxylic acid anabolism carboxylic acid biosynthesis carboxylic acid formation carboxylic acid synthesis biological_process GO:0046394 carboxylic acid biosynthetic process The chemical reactions and pathways resulting in the formation of carboxylic acids, any organic acid containing one or more carboxyl (-COOH) groups. ISBN:0198506732 The chemical reactions and pathways involving fatty acids with a chain length of less than C6. short-chain fatty acid metabolism biological_process GO:0046459 short-chain fatty acid metabolic process The chemical reactions and pathways involving fatty acids with a chain length of less than C6. Wikipedia:Fatty_acid_metabolism The chemical reactions and pathways involving heterocyclic compounds, those with a cyclic molecular structure and at least two different atoms in the ring (or rings). heterocycle metabolism biological_process GO:0046483 heterocycle metabolic process The chemical reactions and pathways involving heterocyclic compounds, those with a cyclic molecular structure and at least two different atoms in the ring (or rings). ISBN:0198506732 Binding to a metal ion. metal binding heavy metal binding molecular_function GO:0046872 metal ion binding Binding to a metal ion. GOC:ai Binding to a transition metal ions; a transition metal is an element whose atom has an incomplete d-subshell of extranuclear electrons, or which gives rise to a cation or cations with an incomplete d-subshell. Transition metals often have more than one valency state. Biologically relevant transition metals include vanadium, manganese, iron, copper, cobalt, nickel, molybdenum and silver. molecular_function GO:0046914 transition metal ion binding Binding to a transition metal ions; a transition metal is an element whose atom has an incomplete d-subshell of extranuclear electrons, or which gives rise to a cation or cations with an incomplete d-subshell. Transition metals often have more than one valency state. Biologically relevant transition metals include vanadium, manganese, iron, copper, cobalt, nickel, molybdenum and silver. ISBN:0198506732 Binding to a monosaccharide. Monosaccharides are the simplest carbohydrates; they are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H[CHOH]nC(=O)[CHOH]mH with three or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides. molecular_function GO:0048029 monosaccharide binding Binding to a monosaccharide. Monosaccharides are the simplest carbohydrates; they are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H[CHOH]nC(=O)[CHOH]mH with three or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides. GOC:jid Binding to a protein or protein complex in the presence of calcium. molecular_function GO:0048306 calcium-dependent protein binding Binding to a protein or protein complex in the presence of calcium. GOC:jid PMID:10485905 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus. The process begins with detection of the stimulus and ends with a change in state or activity or the cell or organism. GO:0051869 physiological response to stimulus biological_process GO:0050896 Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation QC. response to stimulus Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus. The process begins with detection of the stimulus and ends with a change in state or activity or the cell or organism. GOC:ai GOC:bf The controlled breakdown of the nuclear membranes, for example during cellular division. biological_process nuclear envelope breakdown nuclear envelope catabolism nuclear envelope degradation nuclear envelope disassembly GO:0051081 nuclear membrane disassembly The controlled breakdown of the nuclear membranes, for example during cellular division. GOC:ai Binding to serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties. 5-hydroxytryptamine binding molecular_function GO:0051378 serotonin binding Binding to serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties. GOC:ai Binding to epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine. adrenaline binding molecular_function GO:0051379 epinephrine binding Binding to epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine. GOC:ai Binding to histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans. molecular_function GO:0051381 histamine binding Binding to histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans. GOC:ai The chemical reactions and pathways resulting in the formation of fatty acids with a chain length of less than C6. short chain fatty acid biosynthesis short chain fatty acid biosynthetic process short-chain fatty acid anabolism short-chain fatty acid biosynthesis short-chain fatty acid formation short-chain fatty acid synthesis biological_process GO:0051790 short-chain fatty acid biosynthetic process The chemical reactions and pathways resulting in the formation of fatty acids with a chain length of less than C6. Wikipedia:Fatty_acid_metabolism The chemical reactions and pathways involving imidazoles, five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. imidazole metabolism biological_process GO:0052803 imidazole-containing compound metabolic process The chemical reactions and pathways involving imidazoles, five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. GOC:curators The cellular chemical reactions and pathways involving a nucleobase-containing small molecule: a nucleobase, a nucleoside, or a nucleotide. nucleobase, nucleoside and nucleotide metabolism biological_process nucleobase, nucleoside and nucleotide metabolic process GO:0055086 nucleobase-containing small molecule metabolic process The cellular chemical reactions and pathways involving a nucleobase-containing small molecule: a nucleobase, a nucleoside, or a nucleotide. GOC:vw A process which results in the assembly, arrangement of constituent parts, or disassembly of a membrane. A membrane is a double layer of lipid molecules that encloses all cells, and, in eukaryotes, many organelles; may be a single or double lipid bilayer; also includes associated proteins. jl 2010-02-08T02:43:11Z GO:0016044 GO:0044802 cellular membrane organisation cellular membrane organization membrane organisation biological_process membrane organization and biogenesis single-organism membrane organization GO:0061024 membrane organization A process which results in the assembly, arrangement of constituent parts, or disassembly of a membrane. A membrane is a double layer of lipid molecules that encloses all cells, and, in eukaryotes, many organelles; may be a single or double lipid bilayer; also includes associated proteins. GOC:dph GOC:tb membrane organisation GOC:mah membrane organization and biogenesis GOC:mah The chemical reactions and pathways resulting in the formation of testosterone, an androgen having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4 C-5. dph 2010-10-27T02:50:48Z biological_process GO:0061370 testosterone biosynthetic process The chemical reactions and pathways resulting in the formation of testosterone, an androgen having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4 C-5. GOC:dph GOC:yaf A transferase complex capable of catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor). dph 2015-05-06T11:22:38Z cellular_component GO:0061695 transferase complex, transferring phosphorus-containing groups A transferase complex capable of catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor). GOC:bhm GOC:dph The aggregation, arrangement and bonding together of a set of macromolecules to form a protein-containing complex. https://github.com/geneontology/go-ontology/issues/22580 GO:0006461 GO:0034622 GO:0043623 cellular protein complex assembly biological_process cellular macromolecule complex assembly cellular protein-containing complex assembly chaperone activity macromolecular complex assembly macromolecule complex assembly protein complex assembly protein complex formation GO:0065003 protein-containing complex assembly The aggregation, arrangement and bonding together of a set of macromolecules to form a protein-containing complex. GOC:jl Binding to ammonium ions (NH4+). molecular_function ammonium binding GO:0070405 ammonium ion binding Binding to ammonium ions (NH4+). CHEBI:28938 GOC:ecd The aggregation, arrangement and bonding together of a set of components to form an organelle. An organelle is an organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane. mah 2009-09-15T03:00:51Z biological_process GO:0070925 organelle assembly The aggregation, arrangement and bonding together of a set of components to form an organelle. An organelle is an organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane. GOC:mah The chemical reactions and pathways involving an organic substance, any molecular entity containing carbon. mah 2010-03-08T03:32:18Z organic molecular entity metabolic process organic molecular entity metabolism organic substance metabolism biological_process GO:0071704 organic substance metabolic process The chemical reactions and pathways involving an organic substance, any molecular entity containing carbon. GOC:mah The aggregation, arrangement and bonding together of a set of components to form a membrane. mah 2010-03-10T11:19:17Z biological_process GO:0071709 membrane assembly The aggregation, arrangement and bonding together of a set of components to form a membrane. GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nuclear inner or outer membrane. mah 2010-03-29T03:59:35Z nuclear membrane organisation biological_process nuclear membrane organization and biogenesis GO:0071763 nuclear membrane organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nuclear inner or outer membrane. GOC:mah nuclear membrane organisation GOC:mah nuclear membrane organization and biogenesis GOC:mah Any process in which macromolecules aggregate, disaggregate, or are modified, resulting in the formation, disassembly, or alteration of a ribonucleoprotein complex. mah 2010-09-08T10:10:35Z RNA-protein complex subunit organization protein-RNA complex subunit organization ribonucleoprotein complex subunit organisation biological_process GO:0071826 ribonucleoprotein complex subunit organization Any process in which macromolecules aggregate, disaggregate, or are modified, resulting in the formation, disassembly, or alteration of a ribonucleoprotein complex. GOC:mah RNA-protein complex subunit organization GOC:mah protein-RNA complex subunit organization GOC:mah ribonucleoprotein complex subunit organisation GOC:mah A process that results in the biosynthesis of constituent macromolecules, assembly, arrangement of constituent parts, or disassembly of a cellular component. mah 2010-09-10T01:39:16Z GO:0071841 cellular component organisation or biogenesis cellular component organisation or biogenesis at cellular level cellular component organization or biogenesis at cellular level biological_process GO:0071840 cellular component organization or biogenesis A process that results in the biosynthesis of constituent macromolecules, assembly, arrangement of constituent parts, or disassembly of a cellular component. GOC:mah cellular component organisation or biogenesis GOC:mah cellular component organisation or biogenesis at cellular level GOC:mah Binding to bicarbonate ions (CHO3-). mah 2010-09-14T01:47:43Z CHO3- ion binding binding hydrogencarbonate binding molecular_function GO:0071890 bicarbonate binding Binding to bicarbonate ions (CHO3-). GOC:curators hydrogencarbonate binding CHEBI:17544 The part of a cell encompassing the cell cortex, the plasma membrane, and any external encapsulating structures. mah 2010-10-04T01:51:47Z cellular_component GO:0071944 cell periphery The part of a cell encompassing the cell cortex, the plasma membrane, and any external encapsulating structures. GOC:mah The chemical reactions and pathways resulting in the formation of monocarboxylic acids, any organic acid containing one carboxyl (-COOH) group. mah 2010-11-02T04:51:32Z monocarboxylic acid anabolism monocarboxylic acid biosynthesis monocarboxylic acid formation monocarboxylic acid synthesis biological_process GO:0072330 monocarboxylic acid biosynthetic process The chemical reactions and pathways resulting in the formation of monocarboxylic acids, any organic acid containing one carboxyl (-COOH) group. GOC:mah monocarboxylic acid anabolism GOC:mah monocarboxylic acid biosynthesis GOC:mah monocarboxylic acid formation GOC:mah monocarboxylic acid synthesis GOC:mah The chemical reactions and pathways involving diatomic oxygen (O2). mah 2011-02-11T10:46:51Z diatomic oxygen metabolic process oxygen metabolism biological_process GO:0072592 oxygen metabolic process The chemical reactions and pathways involving diatomic oxygen (O2). GOC:mah diatomic oxygen metabolic process CHEBI:33263 oxygen metabolism GOC:mah Any cellular metabolic process involving nucleic acids. tb 2010-04-07T10:18:47Z biological_process GO:0090304 nucleic acid metabolic process Any cellular metabolic process involving nucleic acids. GOC:dph GOC:tb The chemical reactions and pathways resulting in the biosynthesis of deoxyribose phosphate, the phosphorylated sugar 2-deoxy-erythro-pentose. tb 2011-02-26T02:22:41Z biological_process GO:0090407 organophosphate biosynthetic process The chemical reactions and pathways resulting in the biosynthesis of deoxyribose phosphate, the phosphorylated sugar 2-deoxy-erythro-pentose. GOC:chem_mtg Binding to an organic cyclic compound, any molecular entity that contains carbon arranged in a cyclic molecular structure. pr 2011-09-23T02:31:01Z molecular_function GO:0097159 organic cyclic compound binding Binding to an organic cyclic compound, any molecular entity that contains carbon arranged in a cyclic molecular structure. GOC:sjw PMID:7583672 The chemical reactions and pathways involving the ammonium ion. pr 2011-09-28T04:21:30Z ammonium ion metabolism biological_process ammonium metabolic process GO:0097164 ammonium ion metabolic process The chemical reactions and pathways involving the ammonium ion. GOC:dhl GOC:tb PMID:14671018 Binding to a carbohydrate derivative. pr 2012-08-02T13:03:39Z molecular_function GO:0097367 carbohydrate derivative binding Binding to a carbohydrate derivative. GOC:pr A membrane that is a (regional) part of the plasma membrane. dos 2014-03-06T11:55:32Z region of plasma membrane cellular_component GO:0098590 Note that this term should not be used for direct manual annotation as it should always be possible to choose a more specific subclass. plasma membrane region A membrane that is a (regional) part of the plasma membrane. GOC:dos A molecular function regulator regulates the activity of its target via non-covalent binding that does not result in covalent modification to the target. Examples of molecular function regulators include regulatory subunits of multimeric enzymes and channels. Mechanisms of regulation include allosteric changes in the target and competitive inhibition. https://github.com/geneontology/go-ontology/issues/20854 https://github.com/geneontology/go-ontology/issues/20862 molecular function regulator molecular_function GO:0098772 molecular function regulator activity A molecular function regulator regulates the activity of its target via non-covalent binding that does not result in covalent modification to the target. Examples of molecular function regulators include regulatory subunits of multimeric enzymes and channels. Mechanisms of regulation include allosteric changes in the target and competitive inhibition. GOC:dos GOC:pt Any protein complex that is part of a membrane. cellular_component GO:0098796 membrane protein complex Any protein complex that is part of a membrane. GOC:dos Any protein complex that is part of the plasma membrane. cellular_component GO:0098797 plasma membrane protein complex Any protein complex that is part of the plasma membrane. GOC:dos Any (proper) part of the cytoplasm of a single cell of sufficient size to still be considered cytoplasm. cellular_component GO:0099568 cytoplasmic region Any (proper) part of the cytoplasm of a single cell of sufficient size to still be considered cytoplasm. GOC:dos The complete extent of cell cortex that underlies some some region of the plasma membrane. perimembrane region cellular_component GO:0099738 cell cortex region The complete extent of cell cortex that underlies some some region of the plasma membrane. GOC:dos The process in which a nuclear membrane is synthesized, aggregates, and bonds together. biological_process GO:0101025 nuclear membrane biogenesis The process in which a nuclear membrane is synthesized, aggregates, and bonds together. GOC:vw A part of a cellular organism that is either an immaterial entity or a material entity with granularity above the level of a protein complex but below that of an anatomical system. Or, a substance produced by a cellular organism with granularity above the level of a protein complex. kmv 2019-08-12T18:01:37Z cellular_component GO:0110165 cellular anatomical entity A part of a cellular organism that is either an immaterial entity or a material entity with granularity above the level of a protein complex but below that of an anatomical system. Or, a substance produced by a cellular organism with granularity above the level of a protein complex. GOC:kmv The chemical reactions and pathways resulting in the formation of any steroid hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone. https://github.com/geneontology/go-ontology/issues/16000 krc 2019-05-20T22:34:00Z biological_process GO:0120178 steroid hormone biosynthetic process The chemical reactions and pathways resulting in the formation of any steroid hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone. GOC:krc GOC:nln The chemical reactions and pathways resulting in the formation of a hydrocarbon, a compound consisting of carbon and hydrogen only. https://github.com/geneontology/go-ontology/issues/19842 krc 2020-09-02T20:35:53Z hydrocarbon anabolism hydrocarbon biosynthesis hydrocarbon formation hydrocarbon synthesis biological_process GO:0120251 hydrocarbon biosynthetic process The chemical reactions and pathways resulting in the formation of a hydrocarbon, a compound consisting of carbon and hydrogen only. GOC:krc Wikipedia:Hydrocarbon hydrocarbon anabolism GOC:krc hydrocarbon biosynthesis GOC:krc hydrocarbon formation GOC:krc hydrocarbon synthesis GOC:krc The chemical reactions and pathways involving a hydrocarbon, a compound consisting of carbon and hydrogen only. https://github.com/geneontology/go-ontology/issues/19842 krc 2020-09-02T20:47:28Z hydrocarbon metabolism biological_process GO:0120252 hydrocarbon metabolic process The chemical reactions and pathways involving a hydrocarbon, a compound consisting of carbon and hydrogen only. GOC:krc Wikipedia:Hydrocarbon hydrocarbon metabolism GOC:krc The chemical reactions and pathways involving an olefinic compound, any compound which contains a carbon-carbon double bond (aka C=C). https://github.com/geneontology/go-ontology/issues/19936 krc 2020-09-02T23:13:44Z alkene substituted compound metabolic process alkene substituted compound metabolism biological_process GO:0120254 olefinic compound metabolic process The chemical reactions and pathways involving an olefinic compound, any compound which contains a carbon-carbon double bond (aka C=C). GOC:krc The chemical reactions and pathways resulting in the formation of an olefinic compound, any compound which contains a carbon-carbon double bond (aka C=C). https://github.com/geneontology/go-ontology/issues/19936 krc 2020-09-02T23:30:20Z alkene substituted compound anabolic process alkene substituted compound anabolism alkene substituted compound biosynthesis alkene substituted compound biosynthetic process alkene substituted compound synthesis biological_process GO:0120255 olefinic compound biosynthetic process The chemical reactions and pathways resulting in the formation of an olefinic compound, any compound which contains a carbon-carbon double bond (aka C=C). GOC:krc alkene substituted compound anabolic process GOC:krc alkene substituted compound anabolism GOC:krc alkene substituted compound biosynthesis GOC:krc alkene substituted compound biosynthetic process GOC:krc alkene substituted compound synthesis GOC:krc Catalytic activity that acts to modify a protein. https://github.com/geneontology/go-ontology/issues/14225 pg 2017-09-14T10:32:59Z molecular_function GO:0140096 catalytic activity, acting on a protein Catalytic activity that acts to modify a protein. GOC:molecular_function_refactoring GOC:pdt Catalytic activity that acts to modify RNA, driven by ATP hydrolysis. https://github.com/geneontology/go-ontology/issues/14225 https://github.com/geneontology/go-ontology/issues/21612 pg 2017-09-14T12:05:21Z molecular_function GO:0140098 catalytic activity, acting on RNA Catalytic activity that acts to modify RNA, driven by ATP hydrolysis. GOC:molecular_function_refactoring GOC:pdt Catalysis of a biochemical reaction at physiological temperatures in which one of the substrates is a glycoprotein. https://github.com/geneontology/go-ontology/issues/14225 pg 2017-09-15T19:27:54Z molecular_function GO:0140103 catalytic activity, acting on a glycoprotein Catalysis of a biochemical reaction at physiological temperatures in which one of the substrates is a glycoprotein. GOC:molecular_function_refactoring GOC:pdt A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together in the nucleus. pg 2020-09-09T05:12:38Z nuclear complex cellular_component GO:0140513 nuclear protein-containing complex A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together in the nucleus. GOC:pg Catalytic activity that acts to modify a nucleic acid. https://github.com/geneontology/go-ontology/issues/21402 pg 2021-05-11T06:31:07Z molecular_function GO:0140640 catalytic activity, acting on a nucleic acid Catalytic activity that acts to modify a nucleic acid. GOC:pg A molecular function regulator that activates or increases the activity of its target via non-covalent binding that does not result in covalent modification to the target. https://github.com/geneontology/go-ontology/issues/21782 pg 2021-07-07T07:24:16Z molecular_function GO:0140677 molecular function activator activity A molecular function regulator that activates or increases the activity of its target via non-covalent binding that does not result in covalent modification to the target. GOC:curators A molecular function regulator that inhibits or decreases the activity of its target via non-covalent binding that does not result in covalent modification to the target. https://github.com/geneontology/go-ontology/issues/21782 pg 2021-07-07T07:24:32Z molecular_function GO:0140678 molecular function inhibitor activity A molecular function regulator that inhibits or decreases the activity of its target via non-covalent binding that does not result in covalent modification to the target. GOC:curators A protein complex capable of activating an enzyme. Activating subunits may dissociate from the catalytic unit before the enzyme is active. cellular_component GO:0150005 enzyme activator complex A protein complex capable of activating an enzyme. Activating subunits may dissociate from the catalytic unit before the enzyme is active. GOC:bhm PMID:16244137 PMID:28710280 The chemical reactions and pathways involving an acetate ester, any carboxylic ester where the carboxylic acid component is acetic acid. bf 2012-05-16T12:29:51Z acetate ester metabolism acetyl ester metabolic process acetyl ester metabolism biological_process GO:1900619 acetate ester metabolic process The chemical reactions and pathways involving an acetate ester, any carboxylic ester where the carboxylic acid component is acetic acid. GOC:TermGenie acetate ester metabolism GOC:TermGenie acetyl ester metabolic process CHEBI:47622 acetyl ester metabolism CHEBI:47622 The chemical reactions and pathways resulting in the formation of an acetate esteran acetate ester, any carboxylic ester where the carboxylic acid component is acetic acid. bf 2012-05-16T12:30:12Z acetate ester anabolism acetate ester biosynthesis acetate ester formation acetate ester synthesis acetyl ester biosynthesis acetyl ester biosynthetic process biological_process GO:1900620 acetate ester biosynthetic process The chemical reactions and pathways resulting in the formation of an acetate esteran acetate ester, any carboxylic ester where the carboxylic acid component is acetic acid. GOC:TermGenie PMID:15042596 acetate ester anabolism GOC:TermGenie acetate ester biosynthesis GOC:TermGenie acetate ester formation GOC:TermGenie acetate ester synthesis GOC:TermGenie acetyl ester biosynthesis CHEBI:47622 acetyl ester biosynthetic process CHEBI:47622 The chemical reactions and pathways involving glucosamine-containing compounds (glucosamines). bf 2012-07-02T03:18:04Z glucosamine-containing compound metabolism glucosamines metabolic process glucosamines metabolism biological_process GO:1901071 glucosamine-containing compound metabolic process The chemical reactions and pathways involving glucosamine-containing compounds (glucosamines). GOC:TermGenie glucosamine-containing compound metabolism GOC:bf glucosamines metabolic process CHEBI:24271 glucosamines metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of glucosamine-containing compounds (glucosamines). bf 2012-07-02T03:18:33Z glucosamine-containing compound anabolism glucosamine-containing compound biosynthesis glucosamine-containing compound formation glucosamine-containing compound synthesis glucosamines anabolism glucosamines biosynthesis glucosamines biosynthetic process glucosamines formation glucosamines synthesis biological_process GO:1901073 glucosamine-containing compound biosynthetic process The chemical reactions and pathways resulting in the formation of glucosamine-containing compounds (glucosamines). GOC:TermGenie glucosamine-containing compound anabolism GOC:bf glucosamine-containing compound biosynthesis GOC:bf glucosamine-containing compound formation GOC:bf glucosamine-containing compound synthesis GOC:bf glucosamines anabolism GOC:TermGenie glucosamines biosynthesis GOC:TermGenie glucosamines biosynthetic process CHEBI:24271 glucosamines formation GOC:TermGenie glucosamines synthesis GOC:TermGenie The chemical reactions and pathways involving carbohydrate derivative. bf 2012-07-12T04:05:09Z carbohydrate derivative metabolism biological_process GO:1901135 carbohydrate derivative metabolic process The chemical reactions and pathways involving carbohydrate derivative. GOC:TermGenie carbohydrate derivative metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of carbohydrate derivative. bf 2012-07-12T04:05:39Z carbohydrate derivative anabolism carbohydrate derivative biosynthesis carbohydrate derivative formation carbohydrate derivative synthesis biological_process GO:1901137 carbohydrate derivative biosynthetic process The chemical reactions and pathways resulting in the formation of carbohydrate derivative. GOC:TermGenie carbohydrate derivative anabolism GOC:TermGenie carbohydrate derivative biosynthesis GOC:TermGenie carbohydrate derivative formation GOC:TermGenie carbohydrate derivative synthesis GOC:TermGenie The chemical reactions and pathways involving primary amino compound. bf 2012-07-18T04:44:39Z primary amino compound metabolism biological_process GO:1901160 primary amino compound metabolic process The chemical reactions and pathways involving primary amino compound. GOC:TermGenie primary amino compound metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of primary amino compound. bf 2012-07-18T04:45:14Z primary amino compound anabolism primary amino compound biosynthesis primary amino compound formation primary amino compound synthesis biological_process GO:1901162 primary amino compound biosynthetic process The chemical reactions and pathways resulting in the formation of primary amino compound. GOC:TermGenie primary amino compound anabolism GOC:TermGenie primary amino compound biosynthesis GOC:TermGenie primary amino compound formation GOC:TermGenie primary amino compound synthesis GOC:TermGenie Binding to catecholamine. bf 2012-09-03T14:08:44Z molecular_function GO:1901338 catecholamine binding Binding to catecholamine. GOC:TermGenie The chemical reactions and pathways involving organic cyclic compound. bf 2012-09-14T09:03:51Z organic cyclic compound metabolism biological_process GO:1901360 organic cyclic compound metabolic process The chemical reactions and pathways involving organic cyclic compound. GOC:TermGenie organic cyclic compound metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of organic cyclic compound. bf 2012-09-14T09:05:22Z organic cyclic compound anabolism organic cyclic compound biosynthesis organic cyclic compound formation organic cyclic compound synthesis biological_process GO:1901362 organic cyclic compound biosynthetic process The chemical reactions and pathways resulting in the formation of organic cyclic compound. GOC:TermGenie organic cyclic compound anabolism GOC:TermGenie organic cyclic compound biosynthesis GOC:TermGenie organic cyclic compound formation GOC:TermGenie organic cyclic compound synthesis GOC:TermGenie Binding to heterocyclic compound. bf 2012-09-14T13:53:50Z molecular_function GO:1901363 heterocyclic compound binding Binding to heterocyclic compound. GOC:TermGenie The chemical reactions and pathways involving organonitrogen compound. pr 2012-11-04T15:17:52Z organonitrogen compound metabolism biological_process GO:1901564 organonitrogen compound metabolic process The chemical reactions and pathways involving organonitrogen compound. GOC:TermGenie GOC:pr organonitrogen compound metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of organonitrogen compound. pr 2012-11-04T15:18:00Z organonitrogen compound anabolism organonitrogen compound biosynthesis organonitrogen compound formation organonitrogen compound synthesis biological_process GO:1901566 organonitrogen compound biosynthetic process The chemical reactions and pathways resulting in the formation of organonitrogen compound. GOC:TermGenie GOC:pr organonitrogen compound anabolism GOC:TermGenie organonitrogen compound biosynthesis GOC:TermGenie organonitrogen compound formation GOC:TermGenie organonitrogen compound synthesis GOC:TermGenie The chemical reactions and pathways resulting in the formation of an organic substance, any molecular entity containing carbon. pr 2012-11-05T11:04:40Z organic molecular entity anabolism organic molecular entity biosynthesis organic molecular entity biosynthetic process organic molecular entity formation organic molecular entity synthesis organic substance anabolism organic substance biosynthesis organic substance formation organic substance synthesis biological_process GO:1901576 organic substance biosynthetic process The chemical reactions and pathways resulting in the formation of an organic substance, any molecular entity containing carbon. GOC:TermGenie GOC:pr organic molecular entity anabolism GOC:TermGenie organic molecular entity biosynthesis GOC:TermGenie organic molecular entity formation GOC:TermGenie organic molecular entity synthesis GOC:TermGenie The chemical reactions and pathways involving an alpha-amino acid. tb 2012-11-08T17:39:50Z alpha-amino acid metabolism biological_process GO:1901605 alpha-amino acid metabolic process The chemical reactions and pathways involving an alpha-amino acid. GOC:TermGenie alpha-amino acid metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of an alpha-amino acid. tb 2012-11-08T17:39:58Z alpha-amino acid anabolism alpha-amino acid biosynthesis alpha-amino acid formation alpha-amino acid synthesis biological_process GO:1901607 alpha-amino acid biosynthetic process The chemical reactions and pathways resulting in the formation of an alpha-amino acid. GOC:TermGenie alpha-amino acid anabolism GOC:TermGenie alpha-amino acid biosynthesis GOC:TermGenie alpha-amino acid formation GOC:TermGenie alpha-amino acid synthesis GOC:TermGenie The chemical reactions and pathways involving organic hydroxy compound. pr 2012-11-13T12:54:27Z organic hydroxy compound metabolism biological_process GO:1901615 organic hydroxy compound metabolic process The chemical reactions and pathways involving organic hydroxy compound. GOC:TermGenie GOC:pr organic hydroxy compound metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of organic hydroxy compound. pr 2012-11-13T12:54:36Z organic hydroxy compound anabolism organic hydroxy compound biosynthesis organic hydroxy compound formation organic hydroxy compound synthesis biological_process GO:1901617 organic hydroxy compound biosynthetic process The chemical reactions and pathways resulting in the formation of organic hydroxy compound. GOC:TermGenie GOC:pr organic hydroxy compound anabolism GOC:TermGenie organic hydroxy compound biosynthesis GOC:TermGenie organic hydroxy compound formation GOC:TermGenie organic hydroxy compound synthesis GOC:TermGenie Binding to a sulfur compound. pr 2012-11-26T20:45:23Z sulfur molecular entity binding molecular_function GO:1901681 sulfur compound binding Binding to a sulfur compound. GOC:TermGenie GOC:pr The chemical reactions and pathways involving beta-carotene. yaf 2013-01-22T10:30:23Z beta-carotene metabolism biological_process GO:1901810 beta-carotene metabolic process The chemical reactions and pathways involving beta-carotene. GOC:TermGenie GOC:yaf MetaCyc:PWY-5943 PMID:11387982 UniPathway:UPA00802 beta-carotene metabolism GOC:TermGenie The chemical reactions and pathways resulting in the formation of beta-carotene. yaf 2013-01-22T10:30:32Z beta-carotene anabolism beta-carotene biosynthesis beta-carotene formation beta-carotene synthesis biological_process GO:1901812 beta-carotene biosynthetic process The chemical reactions and pathways resulting in the formation of beta-carotene. GOC:TermGenie GOC:yaf MetaCyc:PWY-5943 PMID:11387982 UniPathway:UPA00802 beta-carotene anabolism GOC:TermGenie beta-carotene biosynthesis GOC:TermGenie beta-carotene formation GOC:TermGenie beta-carotene synthesis GOC:TermGenie A protein complex which is capable of catalytic activity. https://github.com/geneontology/go-ontology/issues/19980 bhm 2013-11-13T16:18:47Z enzyme complex cellular_component GO:1902494 catalytic complex A protein complex which is capable of catalytic activity. GOC:TermGenie GOC:bhm PMID:8077207 enzyme complex GOC:bhm GOC:jl Binding to carbon dioxide. bhm 2014-02-04T10:38:41Z CO2 binding molecular_function GO:1902670 carbon dioxide binding Binding to carbon dioxide. GOC:TermGenie GOC:bhm GO_REF:0000067 PMID:15491402 The disaggregation of an organelle into its constituent components. jl 2014-05-13T12:36:03Z organelle degradation biological_process GO:1903008 organelle disassembly The disaggregation of an organelle into its constituent components. GOC:TermGenie GO_REF:0000079 The disaggregation of a nucleus into its constituent components. pr 2016-11-14T13:38:57Z cell nucleus disassembly biological_process GO:1905690 nucleus disassembly The disaggregation of a nucleus into its constituent components. GOC:TermGenie GOC:autophagy GOC:pr GO_REF:0000079 cell nucleus disassembly GOC:TermGenie A protein complex capable of catalyzing the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). bhm 2013-11-12T13:20:12Z cellular_component GO:1990234 transferase complex A protein complex capable of catalyzing the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). GOC:bhm PMID:16540464 Binding to a steroid hormone. pr 2013-11-15T09:26:18Z molecular_function GO:1990239 steroid hormone binding Binding to a steroid hormone. GOC:ln A macromolecular complex that contains both RNA and protein molecules. pr 2015-11-19T12:26:37Z GO:0030529 GO:1990903 Wikipedia:Ribonucleoprotein RNA-protein complex RNP protein-RNA complex extracellular ribonucleoprotein complex intracellular ribonucleoprotein complex cellular_component GO:1990904 ribonucleoprotein complex A macromolecular complex that contains both RNA and protein molecules. GOC:krc GOC:vesicles data item An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements. data item information content entity A generically dependent continuant that is about some thing. PERSON: Chris Stoeckert OBI_0000142 information content entity curation status specification The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. GROUP:OBI:<http://purl.obolibrary.org/obo/obi> OBI_0000266 curation status specification data about an ontology part Data about an ontology part is a data item about a part of an ontology, for example a term data about an ontology part A clinically prescribed procedure, therapy, intervention, or recommendation. OGMS:0000096 medical action NCIT:C25218 NCIT:C49236 OAE:0000094 OGMS:0000112 SIO:001024 therapeutic procedure ERO:0000378 NCIT:C15329 NCIT:C17173 NCRO:0000228 OAE:0000067 SCDO:1000017 operation surgery surgical intervention surgical operation surgical procedure Use of a substance introduced into a living organism with therapeutic or diagnostic purpose. CHEBI:52217 drug treatment medication therapy pharmaceutical drug pharmaceutical treatment pharmacological treatment pharmacotherapy NCIT:C15342 NCIT:C15431 OBI:0000105 transplant procedure transplantation transplantation surgery transplantation surgical procedure transplantation procedure Treatment with a drug used in the treatment of Parkinson's disease. CHEBI:48407 NCIT:C38149 anti-Parkinson agent therapy antiparkinson agent treatment antiparkinson drug therapy antiparkinson drug treatment antiparkinsonian agent therapy antiparkisonian agent treatment antiparkisonian drug treatment treatment with anti-Parkinson drug treatment with antiparkinson drug antiparkinson agent therapy Treatment with a mood-stimulating drug used primarily in the treatment of affective disorders and related conditions. CHEBI:35469 antidepressant drug therapy antidepressant therapy antidepressants treatment thymoanaleptics treatment thymoleptic agent therapy thymoleptic drug treatment therapy thymoleptics drug therapy treatment with antidepressant antidepressant agent therapy CHEBI:35841 CHEBI:35845 NCIT:C29733 anti-gout agent therapy anti-gout combination medicine therapy anti-gout drug therapy anti-gout preparation therapy antigout agent therapy antigout combination medicine therapy antigout drug therapy antigout medication therapy antigout preparation therapy antigout therapy gout suppressant agent treatment treatment with anti-gout drug treatment with anti-gout medication treatment with antigout agent treatment with antigout drug treatment with antigout medication treatment with gout suppressant agent treatment with gout suppressant drug treatment with gout suppressant medication treatment with uricosuric drug uricosuric drug therapy uricosuric agent therapy Therapy using an agent that promotes the excretion of urine through its effects on kidney function CHEBI:35498 NCIT:C448 diuretic agent drug treatment therapy diuretic drug therapy diuretic therapy treatment with diuretic treatment with diuretic agent treatment with diuretic drug treatment with diuretic medication diuretic agent therapy Treatment with an agent that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. CHEBI:35476 antipsychotic agent therapy antipsychotic drug treatment antipsychotic therapy major tranquilizer drug treatment neuroleptic agent treatment neuroleptic therapies treatment with antipsychotic agent treatment with antipsychotic drug treatment with antipsychotic medication antipsychotic agent therapy A therapy utilizing a substance which produces loss of feeling or sensation. CHEBI:38867 NCIT:C245 anaesthesia therapy anaesthetic medication therapy anaesthetic therapy anesthesia therapy anesthetic drug therapy anesthetic medication therapy treatment with anaesthetic anesthetic agent therapy Any drug that works to lower abnormally high glucose (sugar) levels in the blood, which are characteristic of the endocrine system disorder known as diabetes mellitus. blood glucose regulator drug treatment blood glucose regulator therapy Use of an agent that prevents blood clotting. CHEBI:50249 anticoagulant agent treatment anticoagulant drug treatment anticoagulant therapy treatment with anticoagulant anticoagulant agent therapy Use of a drug which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. CHEBI:50427 platelet aggregation inhibitor agent treatment platelet aggregation inhibitor therapy treatment with platelet aggregation antagonist treatment with platelet aggregation blocker treatment with platelet aggregation inhibitor platelet aggregation inhibitor therapy Treatment with an agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. CHEBI:37890 a-adrenergic antagonist agent therapy a-adrenergic antagonist therapy a-adrenergic receptor antagonist drug treatment alpha adrenergic antagonist drug therapy alpha blocker therapy alpha-adrenergic antagonist agent treatment alpha-adrenergic antagonist drug therapy alpha-adrenergic antagonist drug treatment alpha-adrenergic antagonist medication therapy alpha-adrenergic antagonist therapy alpha-adrenergic blockader therapy alpha-adrenergic blocker therapy alpha-adrenergic blocking agent therapy alpha-adrenergic receptor antagonist agent therapy alpha-adrenergic receptor antagonist drug therapy alpha-adrenergic receptor blockader therapy alpha-adrenergic receptor blocker therapy alpha-adrenoceptor antagonist therapy treatment with alpha-adrenergic antagonist treatment with alpha-adrenergic antagonist drug treatment with alpha-adrenergic antagonist medication alpha adrenergic antagonist therapy Treatment with a drug for prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. CHEBI:38070 NCIT:C47793 anti-arrhythmia agent therapy anti-arrhythmia drug therapy anti-arrhythmic agent therapy anti-arrhythmic drug treatment therapy anti-arrythmic agent therapy antiarrhythmic agent therapy antiarrhythmic drug therapy antiarrhythmic drug treatment treatment with anti-arrhythmia agent treatment with anti-arrhythmia drug treatment with anti-arrhythmia medication treatment with anti-arrhythmic agent treatment with anti-arrhythmic drug treatment with anti-arrhythmic medication treatment with anti-arrythmic drug treatment with antiarrhythmic agent treatment with antiarrhythmic drug treatment with antiarrhythmic medication antiarrythmic agent therapy CHEBI:35530 Beta blocker therapy Beta-adrenergic blocking agent therapy b-adrenergic antagonist therapy b-adrenergic receptor antagonist therapy beta adrenergic antagonist agent treatment beta adrenergic antagonist drug treatment beta adrenergic receptor antagonist therapy beta-adrenergic antagonist agent treatment beta-adrenergic antagonist therapy beta-adrenergic receptor antagonist agents beta-adrenergic receptor antagonist drug treatment beta-adrenergic receptor antagonist therapy beta-adrenergic receptor blockader therapy beta-adrenoceptor antagonist therapy treatment with beta blocker agent treatment with beta blocker drug treatment with beta blocker medication treatment with beta-adrenergic antagonist treatment with beta-adrenergic antagonist agent treatment with beta-adrenergic antagonist drug treatment with beta-adrenergic antagonist medication beta-adrenergic antagonist therapy Therapy using an agent that reduces plasma lipids, such as cholesterol or low density lipoproteins (LDL), acting systemically or locally (intestines) to decrease fat digestion, absorption, production, and accumulation in the plasma and reducing pathogenic atherosclerosis and thrombosis. NCIT:C29703 anti-lipemic therapy anti-lipidemic agent therapy antihyperlipemic agent therapy antihyperlipidaemic agent therapy antihyperlipidemic agent therapy antihyperlipidemic drug therapy antilipemic drug therapy antilipemic therapy antilipidemic agent therapy antilipidemic drug treatment therapy dyslipidemia agent therapy dyslipidemia drug treatment therapy dyslipidemic agent drug treatment dyslipidemic drug therapy dyslipidemic drugs therapy hypolipidemic agent therapy lipid-lowering agent therapy treatment with anti-lipidemic agent treatment with anti-lipidemic drug treatment with anti-lipidemic medication treatment with antilipemic drug treatment with antilipidemic agent treatment with antilipidemic medication treatment with dyslipidemic agent treatment with dyslipidemic drug treatment with dyslipidemic medication dyslipidemic agent therapy Treatment with Renin-angiotensin-aldosterone system (RAAS) inhibitors, a group of drugs that act by inhibiting the renin-angiotensin-aldosterone system and include angiotensin-converting enzyme (ACE) inhibitors, angiotensin-receptor blockers (ARBs), and direct renin inhibitors Treatment with RAAS inhibitor renin-angiotensin-aldosterone system inhibitor therapy treatment with renin-angiotensin-aldosterone system inhibitor RAAS inhibitor therapy CHEBI:35620 NCIT:C29707 vasodilating agent therapy vasodilating drug treatment therapy vasodilator agent therapy vasodilator drug therapies vasodilator drug therapy vasodilator drug treatment therapy vasodilator therapies vasodilator agent therapy CHEBI:37733 EC 3.1.1.8 (cholinesterase) inhibitor therapy cholinesterase inhibitor drug treatment cholinesterase inhibitor medication therapy treatment with EC 3.1.1.8 (cholinesterase) inhibitor cholinesteriase inhibitor therapy A drug that acts as an inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4). CHEBI:38623 NCIT:C667 EC 1.4.3.4 (monoamine oxidase) inhibitor therapy MAO drug therapy MAO drug treatment inhibitors of MAO therapy inhibitors of monoamine oxidase therapy treatment with EC 1.4.3.4 (monoamine oxidase) inhibitor monoamine oxidase inhibitor therapy Treatment with mood-stimulating agents which contain a tricyclic structure and are used primarily in the treatment of affective disorders and related conditions. NCIT:C94727 tricyclic antidepressant drug therapy tricyclic antidepressant drug treatment tricyclic antidepressant agent therapy Treatment with an anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. CHEBI:35475 non-steroidal anti-inflammatory drug therapy non-steroidal anti-inflammatory medication treatment treatment with NSAID drug treatment with NSAID medication treatment with NSAID therapy treatment with non-steroidal anti-inflammatory drug treatment with non-steroidal anti-inflammatory medication NSAID therapy nonsteroidal anti-inflammatory agent therapy Treatment with any drug or agent taken that maintains ando/or regulates blood glucose levels. glycemic agent drug therapy glycemic regulation agent therapy glycemic regulation drug treatment glycemic regulator agent therapy glycemic agent therapy NCIT:C581 insulin drug treatment insulin therapy therapeutic insulin preparations treatment therapeutic insulin treatment CHEBI:37961 H2 blocker treatment therapy H2 blocking agent treatment therapy H2 receptor antagonist treatment therapy H2 receptor blockader treatment H2-receptor blocker therapy Histamine2 antagonist therapy histamine H2 receptor antagonist therapy histamine H2 receptor antagonist treatment histamine2 blocking agent therapy H2-receptor antagonist agent therapy NCIT:C29723 proton pump inhibitor drug treatment proton pump inhibitor treatment therapy proton pump inhibitor agent therapy Treatment with any agent or medication that modifies androgen, estrogens, and/or progestogens. sex hormone modifying drug treatment sex hormone modifying agent therapy Treatment with an agent or medication that regulates hormones released by the thyroid. treatment with thyroid modifier treatment with thyroid modifying agent treatment with thyroid modifying drug treatment with thyroid modifying medication thyroid-modifying hormonal agent therapy A drug which acts to modulates estrogenic activity in the body, either by modulating the amount of estrogen or by modulating the activity of whatever estrogen is present. CHEBI:50739 estrogen modifying drug therapy estrogen modifying medication therapy estrogen receptor modulator therapy oestrogen modifying agent therapy oestrogen modifying drug therapy treatment with estrogen receptor modulator treatment with estrogent modifying medication treatment with oestrogen modifying medication estrogen modifying agent therapy Treatment with an agent to modify progestin action. progestin modifying drug treatment treatment with progestin modifier treatment with progestin modifying agent treatment with progestin modifying drug treatment with progestin modifying medication progestin modifying agent therapy Treatment with an inhaled agent that reduces inflammation and mucus in the airways that carry air to the lungs. inhaled corticosteroid drug treatment inhaled corticosteroid agent therapy Use of a drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level. CHEBI:49159 antileukotriene drug treatment leukotriene antagonist therapy treatment with antileukotriene agent treatment with antileukotriene medication treatment with leukotriene antagonist treatment with leukotriene blocker antileukotriene agent therapy Treatment with an agent that blocks the effect of acetylcholine in airways and nasal passages to keep the airways from constricting during asthma and allergy-related brathing issues. anticholinergic bronchodilator drug treatment anticholinergic bronchodilator agent therapy Treatment with a phosphodiesterase (PDE) inhibitor that decreases mean pulmonary arterial pressure. phosphodiesterase inhibitor bronchodilator drug treatment phosphodiesterase inhibitor bronchodilator agent therapy Treatment with an agent for reversible airway obstruction in diseases such as asthma and COPD. These agents produce bronchodilation by stimulating beta2 adrenergic receptors on airway smooth muscle. adrenergic bronchiodilator agent therapy adrenergic bronchiodilator agent treatment adrenergic bronchiodilator drug therapy sympathomimetic bronchodilator drug therapy treatment with adrenergic bronchiodilator agent sympathomimetic bronchodilator agent therapy Treatment with an agent that decreases pulmonary hypertension. pulmonary antihypertensive drug treatment pulmonary antihypertensive agent therapy Treatment with a pharmaceutical agent that inhibits the movement of calcium across through calcium channels in the cell membrane, preventing or decreasing the amount of calcium able to enter the cell. These drugs are used for their chronotropic, antihypertensive and vasodilatory effects. CHEBI:38215 NCIT:C333 calcium channel antagonist drug therapy calcium channel antagonist therapy calcium channel blocker drug therapy calcium channel blocker therapy treatment with calcium channel blocker treatment with calcium channel blocker drug treatment with calcium channel blocker medication treatment with calcium channel blocking drug treatment with calcium channel blocking medication calcium channel blocking agent therapy Use of a natural or synthetic analog of the hormones secreted by the adrenal gland as a type of anti-inflammatory treatment. CHEBI:50858 corticosteroid treatment treatment with corticosteroid agent treatment with corticosteroid drug treatment with corticosteroid medication treatment with corticosteroid therapy corticosteroid agent therapy NCIT:C15192 OGMS:0000145 transfusion of blood products blood transfusion Treatment with a traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behavior. CHEBI:35473 tranquilizing drug therapy treatment with tranquilizing drug tranquilizing agent therapy The surgical transfer of a(n) kidney from a donor to a patient. NCIT:C15265 kidney grafting renal transplantation transplantation of kidney kidney transplantation Use of an imaging test that uses small amounts of radiation to produce pictures of neck. neck X-ray procedure neck radiogram procedure radiograph of neck radiography of neck neck radiograph procedure "Behavior related to the complex psychophysiological experience of an individual's state of mind as interacting with biochemical (internal) and environmental (external) influences." [wikipedia:Emotions] 2011-04-14T01:03:39Z George Gkoutos affective behaviour mood behavior_ontology emotional behavior "A behavioral interaction between organisms in which one organism has the intention of inflicting damage on another individual using physical or verbal means." [wikipedia:Aggression] 2011-04-14T01:03:39Z George Gkoutos aggression aggressive behaviour agonism behavior_ontology GO:0002118 aggressive behavior "A feeding behavior associated with the intake or the frequency of intake or preference or manner of intake of food." [NBO:GVG] 2011-04-14T01:20:02Z George Gkoutos eating behaviour behavior_ontology GO:0042755 regulation of eating behavior "A feeding behavior associated with the intake or the frequency of intake or preference or manner of intake of liquids." [NBO:GVG] 2011-04-14T01:20:02Z George Gkoutos drinking behaviour behavior_ontology GO:0042756 regulation of drinking behavior The act of bringing an object or substance into the body by swallowing, surrounding or absorbing it [NBO:SMAC] 2011-04-14T01:20:02Z George Gkoutos feeding behaviour behavior_ontology GO:0007631 feeding behavior "A physical aggression behavior involving attack on prey by a predator." [NBO:GVG] 2011-04-14T01:20:02Z George Gkoutos predatory aggression predatory aggressive behaviour behavior_ontology GO:0002120 predator behavior "An aggressive behavior that aims to inflicting damage on another entity using physical means." [NBO:GVG] 2011-03-31T11:14:04Z George Gkoutos physical aggression behaviour violent behaviour behavior_ontology physical aggression behavior "A behavior associated with the intake of liquid." [NBO:GVG] 2011-03-31T12:40:37Z George Gkoutos behavior_ontology liquid consumption "A drinking behavior associated with the intake of alcohol." [NBO:GVG] 2011-03-31T12:40:53Z George Gkoutos behavior_ontology alcohol consumption "A drinking behavior associated with the intake of water." [NBO:GVG] 2011-03-31T12:41:14Z George Gkoutos behavior_ontology GO:0045187 water consumption "A feeding behavior associated with the intake of food." [NBO:GVG] 2011-03-31T12:42:46Z George Gkoutos behavior_ontology food consumption "A feeding behavior associated with the intake of saccharin." [NBO:GVG] 2011-03-31T12:50:41Z George Gkoutos behavior_ontology saccharin consumption "Behavior related to the tendency of an organism to maintain internal equilibrium." [NBO:GVG] 2011-04-04T08:29:40Z George Gkoutos NBO:0000050 behavioral homeostasis maintenance behaviour perception of need behavior_ontology motivation behavior "Behavior related to the deprivation of food." [NBO:GVG] 2011-04-04T08:30:11Z George Gkoutos appetite related behaviour behavior_ontology hunger motivation behavior "The action, reaction, or performance of an organism in response to external or internal stimuli." [GO:GO\:0007610] 2011-04-05T09:53:10Z George Gkoutos NBO:0000000 behavior behaviour behavior_ontology GO:0007610 behavior process 2012-02-16T01:16:31Z gkoutos behavior_ontology aggressive behavior by means "Any process that modulates the frequency, rate or extent of behavior, the specific actions or reactions of an organism in response to external or internal stimuli." [GO:0050795] George Gkoutos GO:0050795 regulation of behavior "Any process that modulates the frequency, rate or extent of alcohol consumption, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of alcohol consumption "Behavior related to the intake of substances." [NBOC:GVG] George Gkoutos ingest consumption behavior "Behavior related to the intake of addictive substances." [NBOC:GVG] George Gkoutos consumption of an addictive substance "Behavior related to the intake of cocaine." [NBOC:GVG] George Gkoutos cocaine consumption "Behavior related to the intake of morphine." [NBOC:GVG] George Gkoutos morphine consumption "Behavior related to the intake of nicotine." [NBOC:GVG] George Gkoutos nicotine consumption "Any process that modulates the frequency, rate or extent of cocaine consumption, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of cocaine consumption "Any process that modulates the frequency, rate or extent of consumption behavior, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of consumption behavior "Any process that modulates the frequency, rate or extent of consumption of an addictive substance, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of consumption of an addictive substance "Any process that modulates the frequency, rate or extent of nicotine consumption, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of nicotine consumption "Any process that modulates the frequency, rate or extent of morphine consumption, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of morphine consumption "Any process that modulates the frequency, rate or extent of consumption of food or liquid" [NBOC:GVG] George Gkoutos regulation of feeding behavior "Any process that modulates the frequency, rate or extent of water consumption, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of water consumption "Any process that modulates the frequency, rate or extent of saccharin consumption, the specific actions or reactions of an organism in response to external or internal stimuli." [NBOC:GVG] George Gkoutos regulation of saccharin consumption A predator behavior involving actively stalking prey over a distance. http://orcid.org/0000-0002-2908-3327 2019-03-11T13:51:02Z Nicolas Matentzoglu hunting behavior Feeding behavior during which a living entity acquires food and energy by actively searching for food resources. http://orcid.org/0000-0002-2908-3327 2019-08-04T13:51:02Z https://orcid.org/0000-0002-7356-1779 active foraging behavior Consumption behavior that involves inhaling a material (such as finely ground tobacco leaves) through the nose. http://orcid.org/0000-0002-2908-3327 2019-09-06T10:51:02Z https://orcid.org/0000-0002-7356-1779 smoking behavior Smoking behavior that involves burning a substance such as tobacco and tasting or inhaling the smoke through a pipe. http://orcid.org/0000-0002-2908-3327 2019-09-06T10:51:02Z https://orcid.org/0000-0002-7356-1779 pipe smoking behavior Smoking behavior that involves burning a substance such as tobacco wrapped in paper and inhaling the smoke. http://orcid.org/0000-0002-2908-3327 2019-09-06T10:51:02Z https://orcid.org/0000-0002-7356-1779 cigarette smoking behavior Smoking behavior that involves burning a substance such as tobacco wrapped in tobacco leaf and inhaling the smoke. http://orcid.org/0000-0002-2908-3327 2019-09-06T10:51:02Z https://orcid.org/0000-0002-7356-1779 cigar smoking behavior Consumption behavior that involves inhaling a material (such as finely ground tobacco leaves) through the nose. http://orcid.org/0000-0002-2908-3327 2019-09-06T10:51:02Z https://orcid.org/0000-0002-7356-1779 snuffing behavior Any habitual use of the tobacco plant leaf and its products. 2020-01-27T20:46:57Z tobacco consumption A behavior of chewing a type of smokeless tobacco maked from cured tobacco leaves. Often the tobacco is left in the mouth and chewed but the leaves are not swallowed. 2020-01-27T20:51:17Z spit tobacco consumption tobacco chewing behavior GC_ID:1 ncbi_taxonomy all NCBITaxon:1 root all all Benincaseae GC_ID:1 ncbi_taxonomy Vira Viridae viruses NCBITaxon:10239 Viruses Vira Viridae viruses Cardueae GC_ID:1 ncbi_taxonomy NCBITaxon:117570 Teleostomi NCBITaxon:40673 GC_ID:1 bony vertebrates ncbi_taxonomy NCBITaxon:117571 Euteleostomi bony vertebrates Fragariinae GC_ID:1 ncbi_taxonomy Picornavirus NCBITaxon:12058 Picornaviridae Picornavirus NCBITaxon:12128 GC_ID:1 Enteroviruses ncbi_taxonomy NCBITaxon:12059 Enterovirus Enteroviruses GC_ID:11 PMID:11321122 PMID:11542017 PMID:11837318 PMID:26654112 PMID:29458499 purple bacteria purple bacteria and relatives purple non-sulfur bacteria purple photosynthetic bacteria purple photosynthetic bacteria and relatives ncbi_taxonomy Alphaproteobacteraeota Alphaproteobacteriota proteobacteria NCBITaxon:1224 Proteobacteria purple bacteria purple bacteria and relatives purple non-sulfur bacteria purple photosynthetic bacteria purple photosynthetic bacteria and relatives Alphaproteobacteraeota Alphaproteobacteriota proteobacteria Eurypterygia Acanthomorphata Euacanthomorphacea GC_ID:11 PMID:23334881 ncbi_taxonomy Proteobacteria gamma subdivision Purple bacteria, gamma subdivision g-proteobacteria gamma proteobacteria gamma subdivision gamma subgroup NCBITaxon:1236 Gammaproteobacteria Proteobacteria gamma subdivision Purple bacteria, gamma subdivision g-proteobacteria gamma proteobacteria gamma subdivision gamma subgroup NCBITaxon:31968 GC_ID:11 PMID:10555317 PMID:11034484 PMID:11542017 PMID:15143038 PMID:25403554 PMID:26654112 PMID:29458499 low G+C Gram-positive bacteria low GC Gram+ ncbi_taxonomy Bacillaeota Bacillota Bacillus/Clostridium group Clostridium group firmicutes Firmacutes Low G+C firmicutes clostridial firmicutes firmicutes NCBITaxon:1239 Firmicutes low G+C Gram-positive bacteria low GC Gram+ Bacillaeota Bacillota Bacillus/Clostridium group Clostridium group firmicutes Firmacutes Low G+C firmicutes clostridial firmicutes firmicutes GC_ID:1 ncbi_taxonomy NCBITaxon:1280412 Conoidasida Anserineae Chenopodioideae GC_ID:1 charophyte/embryophyte group ncbi_taxonomy Charophyta/Embryophyta group NCBITaxon:131221 Streptophytina charophyte/embryophyte group Charophyta/Embryophyta group GC_ID:1 ncbi_taxonomy biota NCBITaxon:131567 cellular organisms biota biota Archelosauria GC_ID:1 ncbi_taxonomy NCBITaxon:1338369 Dipnotetrapodomorpha Vaccinium NCBITaxon:2954866 GC_ID:11 ncbi_taxonomy Bacillus/Staphylococcus group Caryophanales NCBITaxon:1385 Bacillales Bacillus/Staphylococcus group Caryophanales The coconut palm, *Cocos nucifera*, is a member of the family *Arecaceae* (palm family). It is the only accepted species in the genus *Cocos*. The term coconut can refer to the entire coconut palm, the seed, or the fruit, which is not a botanical nut, but a drupe. The spelling cocoanut is an old-fashioned form of the word. coconut palm plant WIKIPEDIA:Cocos_nucifera http://langual.org GRIN:11043 ITIS:42451 MANSFELD:10983 PLANTS:CONU http://eol.org/pages/1091712 http://www.langual.org/langual_thesaurus.asp?termid=B1536 coconut palm Cocos nucifera L. coconut cocos nucifera LanguaL curation note: When indexing the coconut palm fruit (drupe, seed) index both *COCONUT PALM [B1130]* and *FRUIT [C0167]* (or its more precise narrower terms). Cocos nucifera GC_ID:1 PMID:11743200 PMID:11791233 ncbi_taxonomy Boreotheria NCBITaxon:1437010 Boreoeutheria Boreotheria Acrogymnospermae GC_ID:1 PMID:25249442 ncbi_taxonomy NCBITaxon:1437183 Mesangiospermae Petrosaviidae GC_ID:1 ncbi_taxonomy NCBITaxon:1437201 Pentapetalae Ranunculoideae Pooideae Panicoideae PACMAD clade Oryzeae Triticeae Andropogoneae GC_ID:1 true yeasts ncbi_taxonomy NCBITaxon:147537 Saccharomycotina true yeasts filamentous ascomycetes Pezizomycotina GC_ID:1 ncbi_taxonomy Archiascomycota NCBITaxon:147554 Schizosaccharomycetes Archiascomycota Osteoglossocephalai Euteleosteomorpha Zeiogadaria Gadoidei Percomorphaceae tunas and others Scombriformes GC_ID:1 PMID:20206957 Papillomavirus ncbi_taxonomy NCBITaxon:151340 Papillomaviridae Papillomavirus Galloanserae A cultivated plant of Beta vulgaris, a plant whose tuber contains a high concentration of sucrose. It is grown commercially for sugar production. Sugar beets and other B. vulgaris cultivars such as beetroot and chard share a common wild ancestor, the sea beet (Beta vulgaris maritima). http://langual.org GRIN:103151 GRIN:7057 ITIS:20681 MANSFELD:362 http://eol.org/pages/585884 beet beta vulgaris beta vulgaris var. altissima Beta vulgaris GC_ID:11 PMID:10408878 PMID:15709360 PMID:1713054 PMID:1899799 PMID:8427807 PMID:8782674 PMID:9226919 PMID:9542083 ncbi_taxonomy Listerella NCBITaxon:1637 Listeria Listerella Phaseoleae Fabeae Andropogonodae Poeae Chloroplast Group 1 (Aveneae type) walnut family Juglandaceae *Juglans* is a plant genus of the family *Juglandaceae*, the seeds of which are known as walnuts. WIKIPEDIA:Juglans http://langual.org 2022-02-01T00:18:43Z http://eol.org/pages/38394 http://www.langual.org/langual_thesaurus.asp?termid=B1290 walnuts juglans spp. LanguaL curation note: When indexing the walnut fruit (drupe, seed) index both *WALNUT [B1290]* and *FRUIT [C0167]* (or its more precise narrower terms). Juglans Arecoideae Cocoseae Attaleinae Amygdaloideae Rosoideae The cashew is a tree in the family *Anacardiaceae*. Its English name derives from the Portuguese name for the fruit of the cashew tree, caju, which in turn derives from the indigenous Tupi name, acajú. It is now widely grown in tropical climates for its cashew nuts and cashew apples. The fruit of the cashew tree is an accessory fruit (sometimes called a pseudocarp or false fruit). What appears to be the fruit is an oval or pear-shaped structure that develops from the pedicel and the receptacle of the cashew flower. Called the cashew apple, better known in Central America as "marañón", it ripens into a yellow and/or red structure about 5 to 11 cm long. It is edible, and has a strong "sweet" smell and a sweet taste. The pulp of the cashew apple is very juicy, but the skin is fragile, making it unsuitable for transport. In Latin America, a fruit drink is made from the cashew apple pulp which has a very refreshing taste and tropical flavor that can be described as having notes of mango, raw green pepper, and just a little hint of grapefruit-like citrus. The true fruit of the cashew tree is a kidney or boxing-glove shaped drupe that grows at the end of the cashew apple. The drupe develops first on the tree, and then the pedicel expands into the cashew apple. Within the true fruit is a single seed, the cashew nut. Although a nut in the culinary sense, in the botanical sense the nut of the cashew is a seed. The seed is surrounded by a double shell containing an allergenic phenolic resin, anacardic acid, a potent skin irritant chemically related to the more well known allergenic oil urushiol which is also a toxin found in the related poison ivy. Properly roasting cashews destroys the toxin, but it must be done outdoors as the smoke (not unlike that from burning poison ivy) contains urushiol droplets which can cause severe, sometimes life-threatening, reactions by irritating the lungs. cashew plant WIKIPEDIA:Anacardium_occidentale http://langual.org GRIN:3060 IT IS:28793 ITIS:28793 MANSFELD:28212 PLANTS:ANOC http://eol.org/pages/582263 http://www.langual.org/langual_thesaurus.asp?termid=B1221 cashew maranon Anacardium occidentale L. anacardium occidentale cashew apple LanguaL curation note: When indexing the pecan fruit (drupe, seed) index both *PECAN [B1221]* and *FRUIT [C0167]* (or its more precise narrower terms). Anacardium occidentale Aurantioideae GC_ID:11 PMID:18988685 PMID:23851394 ncbi_taxonomy NCBITaxon:1783272 Terrabacteria group Brussels sprouts Brassica oleracea var. gemmifera Chenopodiaceae Actinopteri Clupeocephala Scombrinae Thunnini GC_ID:11 ncbi_taxonomy NCBITaxon:186820 Listeriaceae GC_ID:11 PMID:10425795 PMID:10425796 PMID:10425797 PMID:10490293 PMID:10843050 PMID:10939651 PMID:10939673 PMID:10939677 PMID:11211268 PMID:11321083 PMID:11321113 PMID:11411719 PMID:11540071 PMID:11542017 PMID:11542087 PMID:11760965 PMID:12054223 PMID:2112744 PMID:270744 PMID:7520741 PMID:8123559 PMID:8186100 PMID:8590690 PMID:9103655 PMID:9336922 eubacteria ncbi_taxonomy Monera Procaryotae Prokaryota Prokaryotae bacteria prokaryote prokaryotes NCBITaxon:2 Bacteria eubacteria Monera Procaryotae Prokaryota Prokaryotae bacteria prokaryote prokaryotes GC_ID:1 ncbi_taxonomy Homo/Pan/Gorilla group NCBITaxon:207598 Homininae Homo/Pan/Gorilla group NCBITaxon:28203 GC_ID:11 PMID:11156001 PMID:15143020 PMID:1704793 PMID:17329766 PMID:29034857 ncbi_taxonomy NCBITaxon:209 Helicobacter NCBITaxon:219 GC_ID:11 PMID:11931154 PMID:1995031 PMID:8186097 PMID:8494747 ncbi_taxonomy Campylobacter pylori Campylobacter pylori subsp. pylori Campylobacter pyloridis Helicobacter nemestrinae NCBITaxon:210 Helicobacter pylori Campylobacter pylori Campylobacter pylori subsp. pylori Campylobacter pyloridis Helicobacter nemestrinae GC_ID:11 PMID:16403855 ncbi_taxonomy NCBITaxon:213849 Campylobacterales Archaea Vaccinioideae Vaccinieae NPAAA clade Pterocarpus clade 50 kb inversion clade Hologalegina IRL clade indigoferoid/millettioid clade http://langual.org GRIN:30474 ITIS:25295 MANSFELD:8689 PLANTS:PYCO http://eol.org/pages/414311 pear Pyrus communis L. pyrus communis Pyrus communis magnoliids Magnoliidae rue family Rutaceae Apioideae apioid superclade Scandiceae Apieae Daucinae GC_ID:1 RNA viruses RNA viruses and viroids ncbi_taxonomy NCBITaxon:2559587 Riboviria RNA viruses RNA viruses and viroids watermelon Citrullus lanatus subsp. vulgaris GC_ID:1 ncbi_taxonomy SAR supergroup NCBITaxon:2698737 Sar SAR supergroup Citrus tea family Theaceae GC_ID:1 single-stranded DNA viruses ncbi_taxonomy NCBITaxon:2731342 Monodnaviria single-stranded DNA viruses GC_ID:1 ncbi_taxonomy NCBITaxon:2732092 Shotokuvirae GC_ID:1 ncbi_taxonomy NCBITaxon:2732396 Orthornavirae GC_ID:1 ncbi_taxonomy NCBITaxon:2732408 Pisuviricota GC_ID:1 ncbi_taxonomy NCBITaxon:2732415 Cossaviricota GC_ID:1 ncbi_taxonomy NCBITaxon:2732421 Papovaviricetes GC_ID:1 ncbi_taxonomy NCBITaxon:2732506 Pisoniviricetes GC_ID:1 ncbi_taxonomy NCBITaxon:2732533 Zurhausenvirales GC_ID:1 PMID:23020233 PMID:30257078 eucaryotes eukaryotes ncbi_taxonomy Eucarya Eucaryotae Eukarya Eukaryotae eukaryotes NCBITaxon:2759 Eukaryota eucaryotes eucaryotes eukaryotes eukaryotes Eucarya Eucarya Eucaryotae Eucaryotae Eukarya Eukarya Eukaryotae Eukaryotae eukaryotes eukaryotes Bovinae GC_ID:11 PMID:11837318 PMID:16403855 PMID:28484436 PMID:29720974 ncbi_taxonomy Campylobacterota Epsilonbacteraeota Proteobacteria epsilon subdivision Purple bacteria, epsilon subdivision e-proteobacteria epsilon proteobacteria epsilon subdivision epsilon subgroup NCBITaxon:29547 Epsilonproteobacteria Campylobacterota Epsilonbacteraeota Proteobacteria epsilon subdivision Purple bacteria, epsilon subdivision e-proteobacteria epsilon proteobacteria epsilon subdivision epsilon subgroup Laurasiatheria GC_ID:1 PMID:11214319 PMID:12082125 PMID:12878460 PMID:15522813 ncbi_taxonomy NCBITaxon:314146 Euarchontoglires GC_ID:1 ncbi_taxonomy Anthropoidea NCBITaxon:314293 Simiiformes Anthropoidea GC_ID:1 ape apes ncbi_taxonomy NCBITaxon:314295 Hominoidea ape apes GC_ID:1 higher plants land plants plants ncbi_taxonomy land plants NCBITaxon:3193 Embryophyta higher plants land plants plants land plants teleost fishes Teleostei GC_ID:1 tetrapods ncbi_taxonomy NCBITaxon:32523 Tetrapoda tetrapods GC_ID:1 amniotes ncbi_taxonomy NCBITaxon:32524 Amniota amniotes GC_ID:1 Theria ncbi_taxonomy NCBITaxon:32525 Theria <mammals> Theria diapsids Sauria Ginkgoaceae GC_ID:1 PMID:16248873 PMID:30257078 Chlorophyta/Embryophyta group chlorophyte/embryophyte group green plants ncbi_taxonomy Chlorobionta Chloroplastida green plants NCBITaxon:33090 Viridiplantae Chlorophyta/Embryophyta group chlorophyte/embryophyte group green plants Chlorobionta Chloroplastida green plants ginkgo tree GRIN:17540 ITIS:183269 PLANTS:GIBI2 http://eol.org/pages/1156278 http://www.langual.org/langual_thesaurus.asp?termid=B1260 ginkgo ginkgo biloba maidenhair tree Ginkgo biloba L. LanguaL curation note: When indexing the ginkgo fruit (nut) index both *GINGKO [B1260]* and *FRUIT [C0167]* (or its more precise narrower terms). Ginkgo biloba GC_ID:1 ncbi_taxonomy Fungi/Metazoa group opisthokonts NCBITaxon:33154 Opisthokonta Fungi/Metazoa group Fungi/Metazoa group opisthokonts opisthokonts GC_ID:1 metazoans multicellular animals ncbi_taxonomy Animalia animals NCBITaxon:33208 Metazoa metazoans multicellular animals Animalia animals GC_ID:1 ncbi_taxonomy NCBITaxon:33213 Bilateria GC_ID:1 deuterostomes ncbi_taxonomy NCBITaxon:33511 Deuterostomia deuterostomes GC_ID:1 alveolates ncbi_taxonomy NCBITaxon:33630 Alveolata alveolates GC_ID:1 PMID:25249442 angiosperms flowering plants ncbi_taxonomy Angiospermae Magnoliophyta flowering plants NCBITaxon:3398 Magnoliopsida angiosperms flowering plants Angiospermae Magnoliophyta flowering plants Laurales laurel family Lauraceae GC_ID:1 ncbi_taxonomy NCBITaxon:34346 Schizosaccharomycetales avocado Persea americana buttercup family Ranunculaceae GC_ID:1 Cannabidaceae Cannabinaceae hemp family hop family ncbi_taxonomy NCBITaxon:3481 Cannabaceae Cannabidaceae Cannabinaceae hemp family hop family GC_ID:1 ncbi_taxonomy NCBITaxon:3482 Cannabis hemp plant http://langual.org GC_ID:1 GRIN:8862 ITIS:19109 PLANTS:CASA3 http://eol.org/pages/594919 http://www.langual.org/langual_thesaurus.asp?termid=B2323 Cannabis sativa L. ncbi_taxonomy cannabis sativa marihuana plant NCBITaxon:3483 Cannabis sativa Fagales Caryophyllales GC_ID:1 ncbi_taxonomy NCBITaxon:35493 Streptophyta Pecora Swiss chard field beet garden beet spinach chard sugar beet table beet Beta vulgaris subsp. vulgaris A vegetable with dark green, spear-shaped leaves that can be curled or smooth and are attached to thin stems. spinach plant http://langual.org GRIN:35256 ITIS:20709 MANSFELD:485 PLANTS:SPOL http://eol.org/pages/582002 http://www.langual.org/langual_thesaurus.asp?termid=B1420 Spinacea oleracea spinach Spinacia oleracea L. spinacia oleracea Spinacia oleracea BEP clade BOP clade Apiineae Malpighiales cucumber family Cucurbitaceae watermelon plant http://langual.org 2021-03-31T07:01:10Z GRIN:10675 ITIS:22356 MANSFELD:3905 PLANTS:CILA3 http://eol.org/pages/584423 http://www.langual.org/langual_thesaurus.asp?termid=B1391 wild melon Citrullus lanatus (Thunb.) Matsum. & Nakai Citrullus lanatus (Thunb.) Matsumura & Nakai citrullus lanatus citrullus vulgaris colocynthis citrullus cucurbita citrullus datiro edible seed melon equisi kaffir melon momordica lanata Citrullus lanatus Cucumis Muskmelon (*Cucumis melo*) is a species of melon that has been developed into many cultivated varieties. These include smooth skinned varieties such as honeydew, crenshaw and casaba, and different netted cultivars (cantaloupe, Persian melon and Santa Claus or Christmas melon). http://langual.org GRIN:12566 ITIS:22362 MANSFELD:3670 PLANTS:CUME http://eol.org/pages/584424 Oriental melon muskmelon Cucumis melo L. Cucumis melo L. subsp. melo var. cantalupensis Naudin Cucumis melo L. var. cantalupensis Naudin Cucumis melo Cucumis melo L. ssp. melo Cantaloupe Group Persian melo cantaloupe netted muskmelon nutmeg melon Cucumis melo var. cantalupo http://langual.org 2022-02-17T22:47:24Z GRIN:29841 ITIS:24769 MANSFELD:9372 PLANTS:PRAR3 http://eol.org/pages/301091 http://www.langual.org/langual_thesaurus.asp?termid=B1529 apricot apricot tree Prunus armeniaca L. prunus armeniaca Prunus armeniaca marrows pumpkins squashes Cucurbita http://langual.org GRIN:12606 ITIS:22373 PLANTS:CUPE Cucurbita pepo L. Cucurbita pepo asparagus broccoli broccoli sprouting broccoli Brassica oleracea var. italica Brassicales Cruciferae mustard family Brassicaceae Brassica Kale or borecole is a form of cabbage (*Brassica oleracea* Acephala Group), green or purple, in which the central leaves do not form a head. Damion Dooley http://langual.org GRIN:311416 GRIN:319629 GRIN:319632 GRIN:7668 GRIN:7670 GRIN:7672 ITIS:23062 MANSFELD:23907 http://eol.org/pages/583899 Brassica oleracea L. wild cabbage Brassica oleracea L. var. conica DC. borecole brassica oleracea convar. capitate var. conica "It is considered to be closer to wild cabbage than most domesticated forms. The species *Brassica oleracea* contains a wide array of vegetables including broccoli, cauliflower, collard greens, and brussels sprouts. The cultivar group Acephala also includes spring greens and collard greens, which are extremely similar genetically." - Wikipedia Brassica oleracea collards fodder kale kale Brassica oleracea var. viridis Brassica oleracea Cauliflower Group cauliflower Brassica oleracea var. botrytis Brassica oleracea var. capitata L. cabbage Brassica oleracea var. capitata NCBITaxon:3473 NCBITaxon:3601 NCBITaxon:4266 GC_ID:1 ncbi_taxonomy NCBITaxon:3744 Rosales rose family Rosaceae Fragaria garden strawberry plant http://langual.org GRIN:244 ITIS:24630 MANSFELD:8618 PLANTS:FRAN http://eol.org/pages/245515 http://www.langual.org/langual_thesaurus.asp?termid=B3336 strawberry Fragaria X ananassa Duchesne (pro sp.) Fragaria x ananassa Duchesne Fragaria x ananassa Duchesne ex Rozier Fragaria ×ananassa (Weston) Duchesne ex Rozier (pro sp.) cultivated strawberry fragaria x ananassa Fragaria x ananassa Malus apple apple tree cultivated apple Malus domestica Prunus A species of tree native to Iran and surrounding countries but widely cultivated elsewhere, which produces drupe fruit containing almond seed. http://langual.org GRIN:29890 ITIS:24775 almond sweet almond Prunus dulcis (Mill.) D. A. Webb Prunus dulcis (Mill.) D.A.Webb var. amara (DC.) Buchheim Prunus dulcis (Mill.) D.A.Webb var. dulcis Prunus dulcis (P. Mill.) D.A. Webber Prunus dulcis A species of Prunus (Prunus persica) native to China that bears an edible juicy fruit called a peach or nectarine. peach tree http://langual.org GRIN:30065 ITIS:24765 MANSFELD:9402 PLANTS:PRPE3 PLANTS:PRPEP2 http://eol.org/pages/631649 peach Prunus persica (L.) Batsch Prunus persica (L.) Batsch var. persica Cultivated peaches are divided into clingstones and freestones, depending on whether the flesh sticks to the stone or not; both can have either white or yellow flesh. Prunus persica grapefruit Citrus x paradisi pears Pyrus GC_ID:1 ncbi_taxonomy NCBITaxon:376913 Haplorrhini pea family Fabaceae Indian corn Zea mays subsp. sacharata corn maize Zea mays subsp. mays Papilionoideae peanut plant http://langual.org GRIN:3785 ITIS:26463 MANSFELD:29861 PLANTS:ARHY http://eol.org/pages/4277 http://www.langual.org/langual_thesaurus.asp?termid=B1337 goober ground-nut peanut Arachis hypogaea L. arachis hypogaea earthnut groundnut Arachis hypogaea The soybean or soya bean (Glycine max) is a species of legume native to East Asia, widely grown for its edible bean, which has numerous uses. Traditional unfermented food uses of soybeans include soy milk, from which tofu and tofu skin are made. Fermented soy foods include soy sauce, fermented bean paste, nattō, and tempeh. soybean plant https://en.wikipedia.org/wiki/Soybean http://langual.org soya bean soybean GRIN:17711 ITIS:26716 MANSFELD:27017 PLANTS:GLMA4 http://eol.org/pages/4277 http://www.langual.org/langual_thesaurus.asp?termid=B1452 glycine max soybean soybeans Glycine max (L.) Merr. Glycine max lentil Lens culinaris Poales Phaseolus lima bean Phaseolus lunatus French bean kidney bean string bean Phaseolus vulgaris The pea is most commonly the small spherical seed or the seed-pod of the pod fruit *Pisum sativum*. garden pea plant WIKIPEDIA:Pisum_sativum http://langual.org GRIN:300472 ITIS:26867 PLANTS:PISA6 http://eol.org/pages/703192 http://www.langual.org/langual_thesaurus.asp?termid=B3484 dry pea plant english pea plant garden pea garden pea plant pea peas Pisum sativum L. Green "garden" peas, eaten immature and fresh, were an innovative luxury of Early Modern Europe. In England, the distinction between "field peas" and "garden peas" dates from the early 17th century. Pisum sativum flax family Linaceae flax plant http://langual.org GRIN:22361 ITIS:29226 PLANTS:LIUS http://eol.org/pages/581568 http://www.langual.org/langual_thesaurus.asp?termid=B1700 flax Linum usitatissimum L. common flax cultivated flax flax, common flax, cultivated lin linum usitatissimum Linum usitatissimum sumac family Anacardiaceae carrot family Apiaceae Daucus Queen Anne's lace carrot carrots Daucus carota ginseng family Araliaceae Panax Dioscoreales GC_ID:1 mammals ncbi_taxonomy mammals NCBITaxon:40674 Mammalia mammals mammals Solanales nightshade family Solanaceae peppers Capsicum ancho pepper plant http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B2550 C annuum Capsicum annuum WIKIPEDIA:Tomato http://langual.org GRIN:101442 ITIS:521671 ITIS:529044 MANSFELD:6054 http://eol.org/pages/392557 tomato Lycopersicon esculentum Mill. Lycopersicon esculentum var. esculentum P. Mill. Solanum lycopersicum L. lycopersicon esculentum Solanum lycopersicum dill plant 2021-08-14T18:58:48Z GRIN:3412 MANSFELD:1571 http://www.langual.org/langual_thesaurus.asp?termid=B1277 dill Anethum graveolens L. Anethum graveolens Solanum aubergine brinjal eggplant Solanum melongena potato potatoes Solanum tuberosum morning-glory family Convolvulaceae Ipomoea The sweet potato (*Ipomoea batatas*) is a dicotyledonous plant that belongs to the bindweed or morning glory family, *Convolvulaceae*. Its large, starchy, sweet-tasting, tuberous roots are a root vegetable. The young leaves and shoots are sometimes eaten as greens. The sweet potato is only distantly related to the potato (*Solanum tuberosum*) and does not belong to the nightshade family, *Solanaceae*, but both families belong to the same taxonomic order, the Solanales.[https://en.wikipedia.org/wiki/Sweet_potato] sweet potato plant http://langual.org GRIN:20142 ITIS:30764 MANSFELD:21565 PLANTS:IPBA2 http://eol.org/pages/580962 http://www.langual.org/langual_thesaurus.asp?termid=B1106 batate sweet potato Ipomoea batatas (L.) Lam. Ipomoea batatas (L.) Poiret ipomoea batatas Ipomoea batatas Cucumis melo subsp. melo Neopterygii Protacanthopterygii Ranunculales Sapindales Ericales Compositae daisy family Asteraceae GC_ID:1 ncbi_taxonomy NCBITaxon:423054 Eimeriorina Solanoideae heath family Ericaceae tea plant http://langual.org GRIN:8732 ITIS:506801 MANSFELD:4999 PLANTS:CASI16 http://eol.org/pages/482447 http://www.langual.org/langual_thesaurus.asp?termid=B1623 black tea Camellia sinensis (L.) Kuntze Camellia sinensis (L.) O. Kuntze camellia sinensis camellia thea thea sinensis Camellia sinensis monocots monocotyledons Liliopsida grass family Poaceae A species of cereal grain grown for its seed, which is known by the same name (usually in the plural, unlike other cereals and pseudocereals). common oat plant http://langual.org GRIN:6123 ITIS:41459 MANSFELD:33218 PLANTS:AVSA http://eol.org/pages/1114783 http://www.langual.org/langual_thesaurus.asp?termid=B1219 cultivated oat cultivated oats oat plant oats Avena sativa L. avena sativa Avena sativa GC_ID:1 PMID:15689432 PMID:16151185 PMID:17010206 PMID:17051209 PMID:17572334 ncbi_taxonomy NCBITaxon:451864 Dikarya GC_ID:1 ncbi_taxonomy NCBITaxon:451866 Taphrinomycotina Oryza Asian cultivated rice asian rice red rice rice Oryza sativa A domesticated rice species commonly known as African rice. african rice plant http://langual.org GRIN:26062 ITIS:506651 PLANTS:ORGL2 http://eol.org/pages/1115583 http://www.langual.org/langual_thesaurus.asp?termid=B2512 African rice Oryza glaberrima Steud. Oryza glaberrima Steudel red rice It was first domesticated and grown in West Africa, and was brought to the Americas by enslaved West African rice farmers. It is now largely a subsistence crop, rarely sold in markets even in West Africa. While it has been partly replaced by higher-yielding Asian rice, and the number of varieties grown is declining, it persists, making up an estimated 20% of rice grown in West Africa. In comparison to Asian rice, it is hardy, pest-resistant, low-labour, suited to a variety of African conditions, filling, and has a distinct nutty flavour. Crossbreeding between African and Asian rice is difficult, but there exist some crosses. Oryza glaberrima Triticum Canadian hard winter wheat bread wheat common wheat wheat Triticum aestivum Durum wheat, also called pasta wheat or macaroni wheat (Triticum durum or Triticum turgidum subsp. durum),[4] is a tetraploid species of wheat. It is the second most cultivated species of wheat after common wheat, although it represents only 5% to 8% of global wheat production. durum wheat plant http://langual.org GRIN:406896 MANSFELD:34092 PLANTS:TRDU3 http://eol.org/pages/8223 http://www.langual.org/langual_thesaurus.asp?termid=B1079 durum wheat Triticum durum Desf. Triticum turgidum L. ssp. durum Triticum turgidum subsp. durum (Desf.) Husn. macaroni wheat pasta wheat triticum durum triticum ispahanicum ssp. durum triticum turgidum var. durum Triticum turgidum subsp. durum https://www.nature.com/articles/s41588-019-0381-3 English wheat cone wheat poulard wheat rivet wheat Triticum turgidum maize FoodOn Note: the NCBITaxon exact synonym "maize" is more appropriate for "Zea mays subsp. mays" Zea mays Zingiberales banana family Musaceae Banana is the common name for herbaceous plants of the genus Musa and for the fruit they produce. banana plant WIKIPEDIA:Banana http://langual.org 2021-03-19T03:27:12Z GRIN:312415 PLANTS:MUSA2 http://eol.org/pages/4249 http://www.langual.org/langual_thesaurus.asp?termid=B4270 Musa Musa L. Musa sp. musa spp. Musa GC_ID:1 ncbi_taxonomy NCBITaxon:464095 Picornavirales ginger family Zingiberaceae Zingiber amaryllis family Amaryllidaceae yam family Dioscoreaceae yam, tropical (plant) http://langual.org GRIN:14175 MANSFELD:18574 http://www.langual.org/langual_thesaurus.asp?termid=B1181 Dioscorea species dioscorea alata greater yam guyana arrowroot water yam Dioscorea Allium http://langual.org GRIN:2244 ITIS:42720 PLANTS:ALCE http://eol.org/pages/8187 onion Allium cepa L. pickling onion allium cepa Allium cepa Palmae palm family palms Arecaceae commelinids GC_ID:1 PMID:11062127 PMID:12684019 ncbi_taxonomy Mycota fungi NCBITaxon:4751 Fungi Mycota fungi GC_ID:1 PMID:17572334 ascomycetes sac fungi ncbi_taxonomy ascomycete fungi NCBITaxon:4890 Ascomycota ascomycetes sac fungi ascomycete fungi GC_ID:1 ncbi_taxonomy Hemiascomycetes NCBITaxon:4891 Saccharomycetes Hemiascomycetes GC_ID:1 ncbi_taxonomy Endomycetales budding yeasts NCBITaxon:4892 Saccharomycetales Endomycetales budding yeasts NCBITaxon:221665 NCBITaxon:44280 GC_ID:1 ncbi_taxonomy NCBITaxon:4893 Saccharomycetaceae GC_ID:1 fission yeasts ncbi_taxonomy Schizosaccharomycetoideae NCBITaxon:4894 Schizosaccharomycetaceae fission yeasts Schizosaccharomycetoideae GC_ID:1 ncbi_taxonomy NCBITaxon:4895 Schizosaccharomyces NCBITaxon:45042 GC_ID:1 fission yeast ncbi_taxonomy Schizosaccharomyces malidevorans NCBITaxon:4896 Schizosaccharomyces pombe fission yeast Schizosaccharomyces malidevorans NCBITaxon:36915 GC_ID:1 ncbi_taxonomy Pachytichospora NCBITaxon:4930 Saccharomyces Pachytichospora GC_ID:1 S. cerevisiae baker's yeast brewer's yeast ncbi_taxonomy Candida robusta Mycoderma cerevisiae Saccharomyces capensis Saccharomyces italicus Saccharomyces oviformis Saccharomyces uvarum var. melibiosus NCBITaxon:4932 Saccharomyces cerevisiae S. cerevisiae baker's yeast brewer's yeast Candida robusta Mycoderma cerevisiae Saccharomyces capensis Saccharomyces italicus Saccharomyces oviformis Saccharomyces uvarum var. melibiosus Monascus purpureus GC_ID:11 PMID:10555323 PMID:10555334 PMID:16166704 PMID:27620848 ncbi_taxonomy Enterobacteraceae enterobacteria gamma-3 proteobacteria NCBITaxon:543 Enterobacteriaceae Enterobacteraceae enterobacteria gamma-3 proteobacteria GC_ID:11 PMID:19700542 ncbi_taxonomy NCBITaxon:561 Escherichia NCBITaxon:1637691 NCBITaxon:1806490 NCBITaxon:469598 NCBITaxon:662101 NCBITaxon:662104 GC_ID:11 PMID:10319482 E. coli Escherichia/Shigella coli ncbi_taxonomy Bacillus coli Bacterium coli Bacterium coli commune Enterococcus coli NCBITaxon:562 Escherichia coli E. coli Escherichia/Shigella coli Bacillus coli Bacterium coli Bacterium coli commune Enterococcus coli GC_ID:1 apicomplexans ncbi_taxonomy apicomplexans NCBITaxon:5794 Apicomplexa apicomplexans apicomplexans GC_ID:1 ncbi_taxonomy coccidians NCBITaxon:5796 Coccidia coccidians GC_ID:1 vascular plants ncbi_taxonomy vascular plants NCBITaxon:58023 Tracheophyta vascular plants vascular plants GC_ID:1 seed plants ncbi_taxonomy seed plants NCBITaxon:58024 Spermatophyta seed plants seed plants GC_ID:1 ncbi_taxonomy Sarcocystids NCBITaxon:5809 Sarcocystidae Sarcocystids GC_ID:1 ncbi_taxonomy NCBITaxon:5810 Toxoplasma GC_ID:1 ncbi_taxonomy NCBITaxon:5811 Toxoplasma gondii GC_ID:11 PMID:10319519 PMID:10939679 PMID:12072558 PMID:15653929 PMID:15653930 PMID:3231714 PMID:9731304 ncbi_taxonomy NCBITaxon:590 Salmonella GC_ID:1 ncbi_taxonomy NCBITaxon:6072 Eumetazoa Actaea racemosa perforate st. john's-wort plant http://langual.org GRIN:19600 ITIS:21454 PLANTS:HYPE http://eol.org/pages/584888 http://www.langual.org/langual_thesaurus.asp?termid=B4196 Hypericum perforatum L. Hypericum perforatum GC_ID:11 PMID:11837318 ncbi_taxonomy NCBITaxon:68525 delta/epsilon subdivisions NCBITaxon:3399 GC_ID:1 PMID:25249442 PMID:26724406 ncbi_taxonomy Dicotyledoneae dicots dicotyledons eudicots NCBITaxon:71240 eudicotyledons Dicotyledoneae dicots dicotyledons eudicots Asteridae asterids GC_ID:1 ncbi_taxonomy Rosidae NCBITaxon:71275 rosids Rosidae GC_ID:1 ncbi_taxonomy NCBITaxon:716545 saccharomyceta leotiomyceta Fabales Potentilleae Maleae GC_ID:11 PMID:16403855 PMID:29034857 ncbi_taxonomy Helicobacter group NCBITaxon:72293 Helicobacteraceae Helicobacter group Asparagales Carduinae GC_ID:1 ncbi_taxonomy Eucoccidiida NCBITaxon:75739 Eucoccidiorida Eucoccidiida GC_ID:1 chordates ncbi_taxonomy chordates NCBITaxon:7711 Chordata chordates chordates GC_ID:1 Vertebrata vertebrates ncbi_taxonomy vertebrates NCBITaxon:7742 Vertebrata <vertebrates> Vertebrata vertebrates vertebrates GC_ID:1 Gnathostomata jawed vertebrates ncbi_taxonomy NCBITaxon:7776 Gnathostomata <vertebrates> Gnathostomata jawed vertebrates GC_ID:1 euphyllophytes ncbi_taxonomy NCBITaxon:78536 Euphyllophyta euphyllophytes fish fishes ray-finned fishes Actinopterygii salmons and trouts Salmoniformes salmon salmonids Salmonidae Salmonidae cods and others Gadiformes cods tadpole cod Gadidae https://orcid.org/0000-0001-5275-8866 haddock http://langual.org haddock 2010 FDA Seafood List: CEC 1993:447 FAO ASFIS:HAD FDA RFE 2010:37 ITIS:164744 http://eol.org/pages/212899 http://www.langual.org/langual_thesaurus.asp?termid=B1441 haddock haddock Melanogrammus aeglefinus Melanogrammus aeglefinus (Linnaeus, 1758) gadus aeglifinus melanogrammus aeglefinus Melanogrammus aeglefinus https://en.wikipedia.org/wiki/Haddock haddock FDA SFL Acceptable Market Name haddock FDA SFL Common Name mackerels tunas Scombridae Thunnus https://orcid.org/0000-0001-5275-8866 albacore http://langual.org tuna 2010 FDA Seafood List: CEC 1993:996 FAO ASFIS:ALB FDA RFE 2010:89 ITIS:172419 http://eol.org/pages/205933 http://www.langual.org/langual_thesaurus.asp?termid=B1506 albacore albacore Thunnus alalunga Thunnus alalunga (Bonnaterre, 1788) thunnus alalunga thunnus germo Thunnus alalunga https://en.wikipedia.org/wiki/Albacore tuna FDA SFL Acceptable Market Name albacore FDA SFL Common Name GC_ID:1 ncbi_taxonomy NCBITaxon:8287 Sarcopterygii Archosauria birds avian Aves Neognathae GC_ID:1 Craniata ncbi_taxonomy NCBITaxon:89593 Craniata <chordates> Craniata landfowls Galliformes turkeys Phasianidae Gallus domesticus bantam chicken chickens gallus gallus domesticus Gallus gallus Phasianinae Meleagris GC_ID:11 ncbi_taxonomy Bacillus/Lactobacillus/Streptococcus group Firmibacteria NCBITaxon:91061 Bacilli Bacillus/Lactobacillus/Streptococcus group Firmibacteria GC_ID:11 PMID:27620848 ncbi_taxonomy Enterobacteriaceae and related endosymbionts Enterobacteriaceae group Enterobacteriales gamma-3 proteobacteria NCBITaxon:91347 Enterobacterales Enterobacteriaceae and related endosymbionts Enterobacteriaceae group Enterobacteriales gamma-3 proteobacteria whales, hippos, ruminants, pigs, camels etc. Artiodactyla NCBITaxon:1437200 GC_ID:1 core eudicots core eudicotyledons ncbi_taxonomy NCBITaxon:91827 Gunneridae core eudicots core eudicotyledons NCBITaxon:41939 NCBITaxon:4293 GC_ID:1 ncbi_taxonomy eurosids I NCBITaxon:91835 fabids eurosids I malvids campanulids lamiids blessed milkthistle plant http://langual.org GRIN:33952 ITIS:38413 PLANTS:SIMA3 http://eol.org/pages/509366 http://www.langual.org/langual_thesaurus.asp?termid=B4203 holy thistle lady's thistle milk thistle Silybum marianum (L.) Gaertn. silybum marianum Silybum marianum GC_ID:1 eutherian mammals placental mammals placentals ncbi_taxonomy Placentalia placentals NCBITaxon:9347 Eutheria eutherian mammals placental mammals placentals Placentalia placentals ginger Zingiber officinale GC_ID:1 primate ncbi_taxonomy Primata primates NCBITaxon:9443 Primates primate Primata primates GC_ID:1 ncbi_taxonomy NCBITaxon:9526 Catarrhini GC_ID:1 great apes ncbi_taxonomy Pongidae NCBITaxon:9604 Hominidae great apes Pongidae GC_ID:1 humans ncbi_taxonomy NCBITaxon:9605 Homo humans human as milk source http://langual.org GC_ID:1 http://www.langual.org/langual_thesaurus.asp?termid=B1087 human ncbi_taxonomy NCBITaxon:9606 Homo sapiens human Brassiceae boars pigs Suidae A suid native to much of Eurasia and North Africa. Damion Dooley http://langual.org 2020-04-01T23:10:20Z pig pigs swine wild boar Sus scrofa Bovidae oxen, cattle Bos Cattle (colloquially cows) are the most common type of large domesticated ungulates. They are a prominent modern member of the subfamily *Bovinae*, are the most widespread species of the genus *Bos*, and are most commonly classified collectively as *Bos taurus*... with three subspecies: *Bos taurus primigenius, Bos taurus indicus, Bos taurus taurus*. cattle ITIS:183838 MSW3:14200687 Bos taurus Linnaeus, 1758 bovine cattle cow dairy cow domestic cattle domestic cow ox oxen Bos taurus Ovis domestic sheep lambs sheep wild sheep Ovis aries Caprinae A class of professional or vocational positions of employment that involve work with automobiles. C103933 Occupation or Discipline Automotive Occupations C3641679 Automotive Automotive Occupations Automotive Occupations A class of professional or vocational positions of employment that involve work with automobiles. NCI Automotive SY caDSR Automotive Occupations PT NCI The quantitative computation of data obtained via ultrasonography to create a three dimensional map of the imaged tissue. C116448 Diagnostic Procedure Ultrasound Tomography Ultrasound Tomography CL433887 CTRP Ultrasound Tomography Ultrasound Tomography The quantitative computation of data obtained via ultrasonography to create a three dimensional map of the imaged tissue. NCI Ultrasound Tomography DN CTRP Ultrasound Tomography PT NCI The act of puffing and/or inhaling the combustion products of a substance so as to be tasted and absorbed into the bloodstream. C154329 Individual Behavior Smoking Smoking C0037369 CPTAC CTRP Smoking Smoking The act of puffing and/or inhaling the combustion products of a substance so as to be tasted and absorbed into the bloodstream. NCI Smoking DN CTRP Smoking PT CPTAC Smoking PT NCI Smoking SY caDSR Any of the characteristics that define the nature of matter or forces that act upon it. C158424 Qualitative Concept Physical Property CL937894 FDA Assessments of the characteristics of a material that are not associated with a change in its composition and basic nature, including but not limited to its texture, smell, freezing point, boiling point, melting point, opacity, viscosity and density. Physical Properties Physical Property Physical Property Any of the characteristics that define the nature of matter or forces that act upon it. NCI Assessments of the characteristics of a material that are not associated with a change in its composition and basic nature, including but not limited to its texture, smell, freezing point, boiling point, melting point, opacity, viscosity and density. PQCMC Physical Properties SY NCI Physical Property PT NCI Any specific activity undertaken during the course of a clinical study or research protocol. C16203 Activity Clinical or Research Activity C1516654 Clinical_or_Research_Activity Clinical or Research Activity Clinical or Research Activity Any specific activity undertaken during the course of a clinical study or research protocol. NCI Clinical or Research Activity PT NCI Consumption of liquids containing ethanol, including the behaviors associated with drinking the alcohol. C16273 Individual Behavior Alcohol Consumption C0001948 CPTAC GDC Alcohol_Consumption Alcohol Consumption Alcohol Consumption Alcohol Consumption Consumption of liquids containing ethanol, including the behaviors associated with drinking the alcohol. NCI Alcohol Consumption Has Synonym PT risk_factor GDC Alcohol Consumption PT CPTAC Alcohol Consumption PT GDC Alcohol Consumption PT NCI Alcohol Consumption SY caDSR The actions or reactions of an object or organism, usually in relation to the environment or surrounding world of stimuli. C16326 Behavior Behavior C0004927 ICDC NICHD Behavior Attitude Behavior Behavioral Conduct Behavior The actions or reactions of an object or organism, usually in relation to the environment or surrounding world of stimuli. NCI Attitude PT ICDC ICDC Behavior PT NCI Behavior PT NICHD Behavioral AD NCI Conduct SY NCI Any method that uses a visual display of structural or functional patterns of organs or tissues for diagnostic evaluation. C16502 Diagnostic Procedure Diagnostic Imaging Diagnostic Imaging C0011923 CTRP GDC Diagnostic_Imaging Diagnostic Imaging Diagnostic Imaging Medical Imaging Diagnostic Imaging Any method that uses a visual display of structural or functional patterns of organs or tissues for diagnostic evaluation. NCI Diagnostic Imaging Has Synonym PT method_of_diagnosis GDC Diagnostic Imaging DN CTRP Diagnostic Imaging PT GDC Diagnostic Imaging PT NCI Diagnostic Imaging SY caDSR Medical Imaging SY caDSR The use of a drug for a reason other than which it was intended or in a manner or in quantities other than directed. C16522 Individual Behavior Drug Abuse C0013146 CPTAC The use of illegal drugs or the use of prescription or over-the-counter drugs for purposes other than those for which they are meant to be used, or in large amounts. Drug abuse may lead to social, physical, emotional, and job-related problems. Drug_Abuse Drug Abuse Drug Use Disorder Recreational Drug Use drug abuse Drug Abuse The use of a drug for a reason other than which it was intended or in a manner or in quantities other than directed. NCI The use of illegal drugs or the use of prescription or over-the-counter drugs for purposes other than those for which they are meant to be used, or in large amounts. Drug abuse may lead to social, physical, emotional, and job-related problems. NCI-GLOSS Drug Abuse PT CPTAC Drug Abuse PT NCI Drug Use Disorder SY CPTAC Recreational Drug Use SY NCI drug abuse PT NCI-GLOSS CDR0000454752 Activity that requires physical or mental exertion, especially when performed to develop or maintain fitness. C16567 Daily or Recreational Activity Exercise C0015259 ACC/AHA Performance of physical exertion for improvement of health or correction of physical deformity. Exercise Exercise Exercise Type Exercise Activity that requires physical or mental exertion, especially when performed to develop or maintain fitness. NCI Performance of physical exertion for improvement of health or correction of physical deformity. ACC/AHA Exercise PT ACC/AHA PCC Exercise PT NCI Exercise Type SY NCI A manner of living that reflects the person's values and attitudes. C16795 Social Behavior Lifestyle C0023676 Lifestyle Lifestyle Lifestyle A manner of living that reflects the person's values and attitudes. NCI Lifestyle PT NCI A type of radiography used specifically to examine breast tissue. The procedure utilizes a low-dose of x-rays or radiation to generate an image. A mammography exam or mammogram, is used as a screening tool to detect early breast cancer in women experiencing no symptoms and to detect and diagnose breast disease. C16818 Diagnostic Procedure Mammography Mammography C0024671 CDISC CTRP A type of radiography used specifically to examine breast tissue. The procedure utilizes a low-dose of x-rays or radiation to generate an image. The use of film or a computer to create a picture of the breast. Mammography MAMMOGRAPHY Mammography mammography Mammography A type of radiography used specifically to examine breast tissue. The procedure utilizes a low-dose of x-rays or radiation to generate an image. A mammography exam or mammogram, is used as a screening tool to detect early breast cancer in women experiencing no symptoms and to detect and diagnose breast disease. NCI A type of radiography used specifically to examine breast tissue. The procedure utilizes a low-dose of x-rays or radiation to generate an image. CDISC The use of film or a computer to create a picture of the breast. NCI-GLOSS MAMMOGRAPHY PT CDISC Mammography DN CTRP Mammography PT NCI mammography PT NCI-GLOSS CDR0000045996 A technique for measuring the gamma radiation produced by collisions of electrons and positrons (anti-electrons) within living tissue. In positron emission tomography (PET), a subject is given a dose of a positron-emitting radionuclide attached to a metabolically active substance (for example, 2-fluoro-2-deoxy-D-glucose (FDG), which is similar to a naturally occurring sugar, glucose, with the addition of a radioactive fluorine atom). When living tissue containing the positron emitter is bombarded by electrons, gamma radiation produced by collisions of electrons and positrons is detected by a scanner, revealing in fine detail the tissue location of the metabolically-active substance administered. C17007 Diagnostic Procedure Positron Emission Tomography Positron Emission Tomography C0032743 CDISC CTRP GDC PCDC A procedure in which a small amount of radioactive glucose (sugar) is injected into a vein, and a scanner is used to make detailed, computerized pictures of areas inside the body where the glucose is used. Because cancer cells often use more glucose than normal cells, the pictures can be used to find cancer cells in the body. An imaging technique for measuring the gamma radiation produced by collisions of electrons and positrons (anti-electrons) within living tissue. In positron emission tomography (PET), a subject is given a dose of a positron-emitting radionuclide attached to a metabolically active substance. A scanner reveals the tissue location of the metabolically-active substance administered. Positron_Emission_Tomography PET Medical Imaging, Positron Emission Tomography PET PET Scan PET SCAN PET Scan PET scan Positron Emission Tomography Positron Emission Tomography Scan Positron-Emission Tomography positron emission tomography scan proton magnetic resonance spectroscopic imaging Positron Emission Tomography A technique for measuring the gamma radiation produced by collisions of electrons and positrons (anti-electrons) within living tissue. In positron emission tomography (PET), a subject is given a dose of a positron-emitting radionuclide attached to a metabolically active substance (for example, 2-fluoro-2-deoxy-D-glucose (FDG), which is similar to a naturally occurring sugar, glucose, with the addition of a radioactive fluorine atom). When living tissue containing the positron emitter is bombarded by electrons, gamma radiation produced by collisions of electrons and positrons is detected by a scanner, revealing in fine detail the tissue location of the metabolically-active substance administered. NCI A procedure in which a small amount of radioactive glucose (sugar) is injected into a vein, and a scanner is used to make detailed, computerized pictures of areas inside the body where the glucose is used. Because cancer cells often use more glucose than normal cells, the pictures can be used to find cancer cells in the body. NCI-GLOSS An imaging technique for measuring the gamma radiation produced by collisions of electrons and positrons (anti-electrons) within living tissue. In positron emission tomography (PET), a subject is given a dose of a positron-emitting radionuclide attached to a metabolically active substance. A scanner reveals the tissue location of the metabolically-active substance administered. CDISC PET Has Synonym PT imaging_type GDC Medical Imaging, Positron Emission Tomography SY NCI PET PT GDC PET SY NCI PET Scan PT PCDC HL PET SCAN PT CDISC PET Scan PT PCDC GCT PET Scan SY NCI PET scan PT NCI-GLOSS CDR0000046140 Positron Emission Tomography DN CTRP Positron Emission Tomography PT NCI Positron Emission Tomography SY caDSR Positron Emission Tomography Scan SY NCI Positron-Emission Tomography SY NCI positron emission tomography scan PT NCI-GLOSS CDR0000046218 proton magnetic resonance spectroscopic imaging PT NCI-GLOSS CDR0000044361 A subjective and comparative term describing a lack of sufficient wealth (usually understood as capital, money, material goods, or resources especially natural resources) to live what is understood in a society as a "normal" life: for instance, to be capable of raising a healthy family, and especially educating children and participating in society. A person living in this condition of poverty is said to be poor. The meaning of "sufficient" varies widely across the different political and economic areas of the world. C17009 Group Attribute Poverty C0032854 Poverty Low Income Poor Poverty Poverty A subjective and comparative term describing a lack of sufficient wealth (usually understood as capital, money, material goods, or resources especially natural resources) to live what is understood in a society as a "normal" life: for instance, to be capable of raising a healthy family, and especially educating children and participating in society. A person living in this condition of poverty is said to be poor. The meaning of "sufficient" varies widely across the different political and economic areas of the world. NCI Low Income SY NCI Poor SY NCI Poverty PT NCI Poverty SY caDSR The radiation of energy as transverse waves produced by moving charges. C17050 Natural Phenomenon or Process Electromagnetic Radiation C0034519 Radiation that has both electric and magnetic fields and travels in waves. It comes from natural and man-made sources. Electromagnetic radiation can vary in strength from low energy to high energy. It includes radio waves, microwaves, infrared light, visible light, ultraviolet light, x-rays, and gamma rays. Electromagnetic_Radiation EMR Electromagnetic Radiation Radiation Radiation, Electromagnetic Radiation-Total electromagnetic radiation radiation radiation (unspecified type) Electromagnetic Radiation The radiation of energy as transverse waves produced by moving charges. NCI Radiation that has both electric and magnetic fields and travels in waves. It comes from natural and man-made sources. Electromagnetic radiation can vary in strength from low energy to high energy. It includes radio waves, microwaves, infrared light, visible light, ultraviolet light, x-rays, and gamma rays. NCI-GLOSS EMR PT NCI-GLOSS CDR0000673819 Electromagnetic Radiation PT NCI Electromagnetic Radiation SY caDSR Radiation SY NCI Radiation, Electromagnetic SY NCI Radiation-Total SY NCI electromagnetic radiation PT NCI-GLOSS CDR0000270739 radiation PT NCI-GLOSS CDR0000045072 radiation (unspecified type) SY NCI High-energy radiation capable of producing ionization in substances through which it passes. C17052 Natural Phenomenon or Process Ionizing Radiation C0034538 A type of radiation made (or given off) by x-ray procedures, radioactive substances, rays that enter the Earth's atmosphere from outer space, and other sources. At high doses, ionizing radiation increases chemical activity inside cells and can lead to health risks, including cancer. Ionizing_Radiation Ionizing Radiation Radiation, Ionizing Radiation-Ionizing Total ionizing radiation Ionizing Radiation High-energy radiation capable of producing ionization in substances through which it passes. NCI A type of radiation made (or given off) by x-ray procedures, radioactive substances, rays that enter the Earth's atmosphere from outer space, and other sources. At high doses, ionizing radiation increases chemical activity inside cells and can lead to health risks, including cancer. NCI-GLOSS Ionizing Radiation PT NCI Radiation, Ionizing SY NCI Radiation-Ionizing Total SY NCI ionizing radiation PT NCI-GLOSS CDR0000430698 The quality of emitting or the emission of corpuscular or electromagnetic radiations consequent to nuclear disintegration, a natural property of all chemical elements of atomic number above 83 and possible of induction in all other known elements. C17054 Natural Phenomenon or Process Radioactivity C0034553 Giving off radiation. Radioactivity Radioactive Radioactivity radioactive Radioactivity The quality of emitting or the emission of corpuscular or electromagnetic radiations consequent to nuclear disintegration, a natural property of all chemical elements of atomic number above 83 and possible of induction in all other known elements. NCI Giving off radiation. NCI-GLOSS Radioactive AD NCI Radioactivity PT NCI radioactive PT NCI-GLOSS CDR0000046550 A word or phrase that imparts a distinctive characteristic or attribute to the word or phrase it is modifying. C171087 Qualitative Concept Person/Individual Attribute CL1405326 Person/Individual Attribute Person/Individual Attribute A word or phrase that imparts a distinctive characteristic or attribute to the word or phrase it is modifying. NCI Person/Individual Attribute PT NCI Behaviors involved with sexual arousal and/or intercourse. C17127 Individual Behavior Sex Behavior C0036864 Sex_Behavior Sex Sex Behavior Sexual Sexual Behavior Sexually Sex Behavior Behaviors involved with sexual arousal and/or intercourse. NCI Sex SY NCI Sex Behavior PT NCI Sexual AD NCI Sexual Behavior SY NCI Sexually AD NCI Technology is the discipline dealing with the art or science of applying scientific knowledge to practical problems. C17187 Occupation or Discipline Technology C0039421 Technology Technology Technology Technology is the discipline dealing with the art or science of applying scientific knowledge to practical problems. NCI Technology PT NCI A technique in which high-frequency sound waves are bounced off internal organs and the echo pattern is converted into a 2 dimensional picture of the structures beneath the transducer. C17230 Health Care Activity Ultrasonography Ultrasonography C0041618 CDISC CTRP NICHD A procedure in which high-energy sound waves are bounced off internal tissues or organs and make echoes. The echo patterns are shown on the screen of an ultrasound machine, forming a picture of body tissues called a sonogram. A technique in which high-frequency sound waves are bounced off internal organs and the echo pattern is converted into a 2 dimensional picture of the structures beneath the transducer. Ultrasound_Imaging 2-Dimensional Grayscale Ultrasound Imaging 2-Dimensional Ultrasound Imaging 2D-US ULTRASOUND US Ultrasonography Ultrasound Ultrasound Imaging Ultrasound Test Ultrasound, Medical ultrasonography ultrasound Ultrasonography A technique in which high-frequency sound waves are bounced off internal organs and the echo pattern is converted into a 2 dimensional picture of the structures beneath the transducer. NCI On-line Medical Dictionary A procedure in which high-energy sound waves are bounced off internal tissues or organs and make echoes. The echo patterns are shown on the screen of an ultrasound machine, forming a picture of body tissues called a sonogram. NCI-GLOSS A technique in which high-frequency sound waves are bounced off internal organs and the echo pattern is converted into a 2 dimensional picture of the structures beneath the transducer. CDISC 2-Dimensional Grayscale Ultrasound Imaging SY NCI 2-Dimensional Ultrasound Imaging SY NCI 2D-US SY NCI ULTRASOUND PT CDISC US AB NCI Ultrasonography DN CTRP Ultrasonography PT NCI Ultrasonography PT NICHD Ultrasonography SY caDSR Ultrasound SY NCI Ultrasound SY NICHD Ultrasound Imaging SY NICHD Ultrasound Test SY NCI Ultrasound, Medical SY NCI ultrasonography PT NCI-GLOSS CDR0000045557 ultrasound PT NCI-GLOSS CDR0000046157 A printing process of electrostatic electrophotography that uses a photoconductive insulating medium in conjunction with X-rays or gamma rays to produce latent electrostatic-charge patterns for achieving an observable pattern. C17263 Diagnostic Procedure Xeroradiography C0043350 A type of x-ray in which a picture of the body is recorded on paper rather than on film. Xeroradiography Xeroradiography xeroradiography Xeroradiography A printing process of electrostatic electrophotography that uses a photoconductive insulating medium in conjunction with X-rays or gamma rays to produce latent electrostatic-charge patterns for achieving an observable pattern. NCI A type of x-ray in which a picture of the body is recorded on paper rather than on film. NCI-GLOSS Xeroradiography PT NCI xeroradiography PT NCI-GLOSS CDR0000046655 Any technology or method that aids in the visualization of any biological process, cell, tissue or organ for use in screening, diagnosis, surgical procedures or therapy. C17369 Diagnostic Procedure Imaging Technique Imaging Technique C0079595 CTRP DIPG/DMG GDC PCDC A method of producing pictures of areas inside the body. Imaging_Technique Imaging Diagnostic Imaging Technique IMAGING_METHOD Imaging Imaging Procedures Imaging Technique Medical Imaging Type of imaging imaging imaging procedure imaging type imaging_type Imaging Technique Any technology or method that aids in the visualization of any biological process, cell, tissue or organ for use in screening, diagnosis, surgical procedures or therapy. NCI A method of producing pictures of areas inside the body. NCI-GLOSS Imaging Has Synonym PT method_of_diagnosis GDC Diagnostic Imaging Technique SY NCI IMAGING_METHOD PT PCDC VAR-IT HL Imaging PT GDC Imaging PT PCDC PV AML Imaging PT PCDC PV EWS Imaging PT PCDC PV GCT Imaging PT PCDC PV HL Imaging SY NCI Imaging Procedures SY NCI Imaging Technique DN CTRP Imaging Technique PT NCI Imaging Technique SY NCI Medical Imaging SY NCI Type of imaging PT DIPG/DMG imaging PT NCI-GLOSS CDR0000046361 imaging procedure PT NCI-GLOSS CDR0000045720 imaging type SY GDC VAR imaging_type PT GDC VAR Discontinuation of the habit of smoking. C17427 Individual Behavior Smoking Cessation C0085134 Smoking_Cessation Smoking Cessation Smoking Cessation Discontinuation of the habit of smoking. NCI Smoking Cessation PT NCI Characteristics of a person such as education and occupation, used to describe the person's position in stratification systems, access to services, etc. C17468 Qualitative Concept Socioeconomic Factors C0086996 Socioeconomic_Factors Socioeconomic Factors Socioeconomic Status Socioeconomic Factors Characteristics of a person such as education and occupation, used to describe the person's position in stratification systems, access to services, etc. NCI Socioeconomic Factors PT NCI Socioeconomic Status SY NCI The process of taking raw food and producing a finished meal. Investigations into the link between food preparation methods and human disease C17604 Occupational Activity Food Preparation C0178639 Food_Preparation Food Preparation Food Preparation The process of taking raw food and producing a finished meal. Investigations into the link between food preparation methods and human disease NCI Food Preparation PT NCI The application of biology, chemical engineering, and biochemistry to the improvement food products. C17605 Occupation or Discipline Food Science and Technology C0178642 Food_Science_and_Technology Food Science and Technology Food Science and Technology The application of biology, chemical engineering, and biochemistry to the improvement food products. NCI Food Science and Technology PT NCI Any form of exercise or movement. Physical activity may include planned activity such as walking, running, basketball, or other sports. Physical activity may also include other daily activities such as household chores, yard work, walking the dog, etc. C17708 Daily or Recreational Activity Physical Activity Physical Activity C0026606 CTRP Physical_Activity Physical Activity Physical Activity Any form of exercise or movement. Physical activity may include planned activity such as walking, running, basketball, or other sports. Physical activity may also include other daily activities such as household chores, yard work, walking the dog, etc. NCI from NIDDK Glossary; http://www.niddk.nih.gov/health/nutrit/pubs/glossary/glossaryintro.htm Physical Activity DN CTRP Physical Activity PT NCI The act of supporting or resisting the weight of something. C178214 Activity Weight Bearing CL1647991 Weight Bearing Weight-bearing Weight Bearing The act of supporting or resisting the weight of something. NCI Weight Bearing PT NCI Weight-bearing SY NCI The state of a person with regard to earning wages or salary. C179143 Functional Concept Employment Status C0242271 Employment Status Employment Status The state of a person with regard to earning wages or salary. NCI Employment Status PT NCI The act of puffing and/or inhaling smoke from a lit cigarette, cigar, or pipe. C17934 Individual Behavior Tobacco Smoking C0453996 GDC Tobacco_Smoking Smoking Tobacco, Smoking Smoking Tobacco Smoking Tobacco, Smoking Tobacco Smoking The act of puffing and/or inhaling smoke from a lit cigarette, cigar, or pipe. NCI Smoking Has Synonym PT comorbidity GDC Tobacco, Smoking Has Synonym PT risk_factor GDC Smoking PT GDC Smoking SY NCI Smoking SY caDSR Tobacco Smoking PT NCI Tobacco Smoking SY caDSR Tobacco, Smoking PT GDC Any procedure or test to diagnose a disease or disorder. C18020 Diagnostic Procedure Diagnostic Procedure Diagnostic Procedure CL1642967 CTRP NICHD A specific test or series of steps done to help diagnose a disease or condition. Mammograms and colonscopies are examples of diagnostic procedures. Diagnostic_Procedure Other diagnostic procedures on breast Other diagnostic procedures on rectum, rectosigmoid and perirectal tissue Diagnostic Method Diagnostic Procedure Diagnostic Technique Diagnostic Test diagnostic procedure diagnostic technique Diagnostic Procedure Any procedure or test to diagnose a disease or disorder. NCI A specific test or series of steps done to help diagnose a disease or condition. Mammograms and colonscopies are examples of diagnostic procedures. NCI-GLOSS Other diagnostic procedures on breast Related To PT 85.19 ICD9CM 2014 Other diagnostic procedures on rectum, rectosigmoid and perirectal tissue Related To PT 48.29 ICD9CM 2014 Diagnostic Method SY NCI Diagnostic Procedure DN CTRP Diagnostic Procedure PT NCI Diagnostic Procedure PT NICHD Diagnostic Procedure SY caDSR Diagnostic Technique SY NCI Diagnostic Test SY NCI diagnostic procedure PT NCI-GLOSS CDR0000045959 diagnostic technique PT NCI-GLOSS CDR0000635290 Use of tobacco in any form, e.g., smoking, chewing or sniffing. C18059 Individual Behavior Tobacco Use Tobacco Use C0543414 CTRP GDC Tobacco_Use Tobacco use Tobacco, NOS Tobacco Consumption Tobacco Use Tobacco, NOS Tobacco Use Use of tobacco in any form, e.g., smoking, chewing or sniffing. NCI Tobacco use Has Synonym PT Z72.0 ICD10CM 2017 Tobacco, NOS Has Synonym PT risk_factor GDC Tobacco Consumption SY NCI Tobacco Use DN CTRP Tobacco Use PT NCI Tobacco, NOS PT GDC Maladaptive pattern of drug or alcohol use that may lead to social, occupational, psychological, or physical problems. C18272 Individual Behavior Substance Abuse Substance Abuse C0740858 CTRP The use of illegal drugs or the use of prescription or over-the-counter drugs or alcohol for purposes other than those for which they are meant to be used, or in excessive amounts. Substance abuse may lead to social, physical, emotional, and job-related problems. Substance_Abuse Substance Abuse substance abuse Substance Abuse Maladaptive pattern of drug or alcohol use that may lead to social, occupational, psychological, or physical problems. NCI The use of illegal drugs or the use of prescription or over-the-counter drugs or alcohol for purposes other than those for which they are meant to be used, or in excessive amounts. Substance abuse may lead to social, physical, emotional, and job-related problems. NCI-GLOSS Substance Abuse DN CTRP Substance Abuse PT NCI substance abuse PT NCI-GLOSS CDR0000450123 substance abuse SY NCI-GLOSS CDR0000450123 Establishing relationships with individuals who have similar social or professional interests for the purposes of expanding knowledge and professional/social interaction. (Glanz et al: Heath Behavior & Health Education, 1990) C19035 Social Behavior Social Networking Social Networking C3179002 CTRP Social_Networking Social Networking Social Networking Establishing relationships with individuals who have similar social or professional interests for the purposes of expanding knowledge and professional/social interaction. (Glanz et al: Heath Behavior & Health Education, 1990) NCI Social Networking DN CTRP Social Networking PT NCI A grouping of occupations and fields of study. C19160 Occupation or Discipline Occupation or Discipline C1518533 Occupation_or_Discipline Occupation or Discipline Occupation or Discipline A grouping of occupations and fields of study. NCI Occupation or Discipline PT NCI The distinguishing qualities or prominent aspects of an individual person. C19332 Organism Attribute Personal Attribute C0681884 Personal_Attribute Personal Personal Attribute Subject Characteristics Personal Attribute The distinguishing qualities or prominent aspects of an individual person. NCI Personal SY NCI Personal Attribute PT NCI Subject Characteristics SY NCI Use of ultrasound for imaging or diagnostic purposes. Employs frequencies ranging from 1.6 to 10 megahertz. (DCTD-DIP) C19337 Diagnostic Procedure Diagnostic Ultrasound CL415372 PCDC Diagnostic_Ultrasound Diagnosis (US) Diagnosis, Ultrasound Diagnostic Ultrasound Ultrasound Diagnostic Ultrasound Use of ultrasound for imaging or diagnostic purposes. Employs frequencies ranging from 1.6 to 10 megahertz. (DCTD-DIP) NCI Diagnosis (US) SY NCI Diagnosis, Ultrasound SY NCI Diagnostic Ultrasound PT NCI Ultrasound PT PCDC HL Use of conscious or unconscious strategies or mechanisms in adapting to stress. C19382 Individual Behavior Coping Skills C0086059 The methods a person uses to deal with stressful situations. These may help a person face a situation, take action, and be flexible and persistent in solving problems. Stress_and_Coping Coping Skills Stress and Coping coping skills Coping Skills Use of conscious or unconscious strategies or mechanisms in adapting to stress. NCI from PSY94 The methods a person uses to deal with stressful situations. These may help a person face a situation, take action, and be flexible and persistent in solving problems. NCI-GLOSS Coping Skills PT NCI Stress and Coping SY NCI coping skills PT NCI-GLOSS CDR0000450097 The observable response of a person. C19683 Individual Behavior Personal Behavior C1519022 Personal_Behavior Personal Behavior Personal Conduct Personal Behavior The observable response of a person. NCI Personal Behavior PT NCI Personal Conduct SY NCI Personal behaviors designed to minimize and control the probability and/or impact of unfortunate events. C19694 Individual Behavior Risk Reduction C0242550 Risk_Reduction Risk Reduction Risk Reduction Personal behaviors designed to minimize and control the probability and/or impact of unfortunate events. NCI Risk Reduction PT NCI Risk Reduction SY caDSR Dietary Practices refers to a person's choices in food consumption. C19706 Individual Behavior Dietary Practices C1511904 Dietary_Practices Dietary Practices Dietary Practices Dietary Practices refers to a person's choices in food consumption. NCI Dietary Practices PT NCI Methods of preparing foods and their role in health and disease. C19733 Individual Behavior Cooking Practices C1511504 Cooking_Practices Cooking Methods Cooking Practices Cooking Practices Methods of preparing foods and their role in health and disease. NCI Cooking Methods SY NCI Cooking Practices PT NCI Cooking of meats over an open flame. A cooking practice associated with increased risk of breast cancer. C20026 Human-caused Phenomenon or Process Flame-Broiling C1517203 Flame-Broiling Flame-Broiling Flame-Broiling Cooking of meats over an open flame. A cooking practice associated with increased risk of breast cancer. NCI Flame-Broiling PT NCI The X-ray examination of the blood vessels or chambers of the heart. C20080 Diagnostic Procedure Angiography Angiography CL378222 CDISC CTRP A procedure to x-ray blood vessels. The blood vessels can be seen because of an injection of a dye that shows up in the x-ray. The X-ray examination of blood vessels or chambers of the heart. Angiography ANGIOGRAPHY Angiography angiography Angiography The X-ray examination of the blood vessels or chambers of the heart. NCI A procedure to x-ray blood vessels. The blood vessels can be seen because of an injection of a dye that shows up in the x-ray. NCI-GLOSS The X-ray examination of blood vessels or chambers of the heart. CDISC ANGIOGRAPHY PT CDISC Angiography DN CTRP Angiography PT NCI angiography PT NCI-GLOSS CDR0000046531 Any of the activities associated with tobacco smoking. C20134 Individual Behavior Smoking Behavior C1519383 Smoking_Behavior Smoking Behavior Smoking, Tobacco and Cancer-Behavior Smoking Behavior Any of the activities associated with tobacco smoking. NCI Smoking Behavior PT NCI Smoking, Tobacco and Cancer-Behavior SY NCI The radiographic examination of the spinal cord and nerve roots following the injection of a contrast medium into the spinal subarachnoid space. The X-rays taken may highlight conditions such as spinal tumors, spinal cord swelling and herniated discs. C20175 Diagnostic Procedure Myelography C0026995 Myelography Myelography Myelography The radiographic examination of the spinal cord and nerve roots following the injection of a contrast medium into the spinal subarachnoid space. The X-rays taken may highlight conditions such as spinal tumors, spinal cord swelling and herniated discs. NCI Myelography PT NCI An organizational header for concepts representing mostly abstract entities. C20181 Classification Conceptual Entity C1254372 Conceptual_Entities Conceptual Entity Conceptual Entity An organizational header for concepts representing mostly abstract entities. NCI Conceptual Entity PT NCI Pertaining to the demographic and psychosocial environment in which a person lives. C20188 Conceptual Entity Social Circumstances C0851364 CDISC-GLOSS A set of concepts that results from or is influenced by criteria or activities associated with the social environment of a person. [NCI] Social_Concepts Social Circumstances social circumstances Social Circumstances Pertaining to the demographic and psychosocial environment in which a person lives. NCI A set of concepts that results from or is influenced by criteria or activities associated with the social environment of a person. [NCI] CDISC-GLOSS Social Circumstances PT NCI social circumstances PT CDISC-GLOSS A distinguishing quality or prominent aspect of a person, object, action, process, or substance. C20189 Conceptual Entity Property or Attribute C1514495 NICHD Properties_or_Attributes Property or Attribute Property or Attribute A distinguishing quality or prominent aspect of a person, object, action, process, or substance. NCI Property or Attribute PT NCI Property or Attribute PT NICHD A listing of occupations that don't fall under another major heading. C20192 Occupation or Discipline Miscellaneous Occupation C1513330 Miscellaneous_Occupations Miscellaneous Occupation Miscellaneous Occupation A listing of occupations that don't fall under another major heading. NCI Miscellaneous Occupation HD NCI The use of alcoholic beverages to excess, either on individual occasions ("binge drinking") or as a regular practice. C20701 Individual Behavior Alcohol Abuse C0085762 CPTAC Alcohol_Abuse Alcohol Abuse Alcohol Use Disorders Alcohol Abuse The use of alcoholic beverages to excess, either on individual occasions ("binge drinking") or as a regular practice. NCI Alcohol Abuse PT CPTAC Alcohol Abuse PT NCI Alcohol Use Disorders SY CPTAC The principal activity that a person does to earn money. C25193 Occupation or Discipline Occupation C0028811 CDISC FDA A code specifying the job performed by the employee for the employer. For example, accountant, programmer analyst, patient care associate, staff nurse, etc. Occupation EMPJOB Employee Job Employment Category Job OCCUPATION Occupation Occupation Type Occupation The principal activity that a person does to earn money. NCI A code specifying the job performed by the employee for the employer. For example, accountant, programmer analyst, patient care associate, staff nurse, etc. CDISC EMPJOB PT CDISC SDTM-SCTESTCD Employee Job PT CDISC SDTM-SCTEST Employee Job SY CDISC Employment Category SY NCI Job SY NCI OCCUPATION PT FDA ICSR Occupation PT NCI Occupation SY caDSR Occupation Type SY NCI An activity that produces an effect, or that is intended to alter the course of a disease in a patient or population. This is a general term that encompasses the medical, social, behavioral, and environmental acts that can have preventive, therapeutic, or palliative effects. C25218 Health Care Activity Intervention or Procedure C0184661 BRIDG CDISC CDISC-GLOSS GDC ICDC NICHD In medicine, a treatment or action taken to prevent or treat disease, or improve health in other ways. The drug, device, therapy, or process under investigation in a clinical study that is believed to have an effect on outcomes of interest in a study (e.g., health-related quality of life, efficacy, safety, pharmacoeconomics). [After https://grants.nih.gov/grants/policy/faq_clinical_trial_definition.htm#5224] See also test articles, devices, drug product, medicinal product, combination product, general observation class, finding, event, treatment, diagnosis. The drug, device, therapy, or process under investigation in a clinical study that is believed to have an effect on outcomes of interest in a study. [After https://grants.nih.gov/grants/policy/faq_clinical_trial_definition.htm#5224] (CDISC-Glossary) Procedure Intervention Intervention Strategies Intervention or Procedure Interventional Procedure intervention interventionDescription procedure treatment type treatment_type Intervention or Procedure An activity that produces an effect, or that is intended to alter the course of a disease in a patient or population. This is a general term that encompasses the medical, social, behavioral, and environmental acts that can have preventive, therapeutic, or palliative effects. NCI In medicine, a treatment or action taken to prevent or treat disease, or improve health in other ways. NCI-GLOSS The drug, device, therapy, or process under investigation in a clinical study that is believed to have an effect on outcomes of interest in a study (e.g., health-related quality of life, efficacy, safety, pharmacoeconomics). [After https://grants.nih.gov/grants/policy/faq_clinical_trial_definition.htm#5224] See also test articles, devices, drug product, medicinal product, combination product, general observation class, finding, event, treatment, diagnosis. CDISC-GLOSS The drug, device, therapy, or process under investigation in a clinical study that is believed to have an effect on outcomes of interest in a study. [After https://grants.nih.gov/grants/policy/faq_clinical_trial_definition.htm#5224] (CDISC-Glossary) CDISC Intervention PT CDISC Intervention SY NCI Intervention Strategies SY NCI Intervention or Procedure PT NCI Intervention or Procedure PT NICHD Interventional AD NCI Procedure SY NCI Procedure SY NICHD intervention PT CDISC-GLOSS intervention PT NCI-GLOSS CDR0000454757 interventionDescription PT BRIDG 3.0.3 interventionDescription PT BRIDG 5.3 procedure PT ICDC ICDC treatment type SY GDC VAR treatment_type PT GDC VAR A thing done. C25404 Activity Action C3266814 Action Action Generic Action Action A thing done. NCI Action PT NCI Action SY caDSR Generic Action SY NCI A collective generic term that refers here to a wide variety of dependencies, areas of special sovereignty, uninhabited islands, and other entities in addition to the traditional countries or independent states. Damion's note: countries are considered material entities, but at moment ENVO "national geopolitical entity" is a site. It will need to be moved to a material entity in order for countries to be placed under it. For now, we use NCIT's "Country" term. Country A disorder resulting from the presence and activity of a microbial, viral, fungal, or parasitic agent. It can be transmitted by direct or indirect contact. C26726 Disease or Syndrome Infectious Disorder Infectious Disorder C0009450 Patient Code (Appendix B) CDISC CPTAC CTRP FDA GDC MedDRA NICHD A disorder resulting from the presence and activity of a microbial, viral, fungal, or parasitic agent. It can be transmitted by direct or indirect contact. A disorder resulting from the presence and activity of a microbial, viral, or parasitic agent. It can be transmitted by direct or indirect contact. (NCI) Invasion and multiplication of germs in the body. Infections can occur in any part of the body and can spread throughout the body. The germs may be bacteria, viruses, yeast, or fungi. They can cause a fever and other problems, depending on where the infection occurs. When the body's natural defense system is strong, it can often fight the germs and prevent infection. Some cancer treatments can weaken the natural defense system. The report describes a non-specific or unidentified infection. Note: Please use the appropriate term if the report describes a specific infection. i.e. Bacterial Infection E1901, Fungal Infection E1902, Viral Infection E1907, or a relevant Level 3 term where more detail is available. Infectious_Disorder Infection Other and unspecified infectious diseases IMDRF:E1906 Clinical Infection ID INFECTION Infection Infectious Infectious Disease Infectious Diseases and Manifestations Infectious Disorder Unspecified Infection infection Infectious Disorder A disorder resulting from the presence and activity of a microbial, viral, fungal, or parasitic agent. It can be transmitted by direct or indirect contact. NCI A disorder resulting from the presence and activity of a microbial, viral, fungal, or parasitic agent. It can be transmitted by direct or indirect contact. NICHD A disorder resulting from the presence and activity of a microbial, viral, or parasitic agent. It can be transmitted by direct or indirect contact. (NCI) CDISC Invasion and multiplication of germs in the body. Infections can occur in any part of the body and can spread throughout the body. The germs may be bacteria, viruses, yeast, or fungi. They can cause a fever and other problems, depending on where the infection occurs. When the body's natural defense system is strong, it can often fight the germs and prevent infection. Some cancer treatments can weaken the natural defense system. NCI-GLOSS The report describes a non-specific or unidentified infection. Note: Please use the appropriate term if the report describes a specific infection. i.e. Bacterial Infection E1901, Fungal Infection E1902, Viral Infection E1907, or a relevant Level 3 term where more detail is available. FDA CDRH Infection Has Synonym LLT 10021789 MedDRA 18.1 Infection Has Synonym PT cause_of_death GDC Other and unspecified infectious diseases Related To PT B99 ICD10CM 2017 Clinical Infection SY NICHD ID SY NICHD INFECTION PT CDISC Infection PT GDC Infection SY NCI Infectious AD NCI Infectious Disease PT CPTAC Infectious Disease SY NCI Infectious Disease SY NICHD Infectious Diseases and Manifestations SY NCI Infectious Disorder DN CTRP Infectious Disorder PT NCI Infectious Disorder PT NICHD Infectious Disorder SY caDSR Unspecified Infection PT FDA 1930 CDRH infection PT NCI-GLOSS CDR0000045364 An infectious process caused by a human papillomavirus. This infection can cause abnormal tissue growth. C27851 Disease or Syndrome Human Papillomavirus Infection Human Papillomavirus Infection C0343641 CTRP GDC Human_Papilloma_Virus_Infection Human Papillomavirus Infection HPV HPV Infection Human Papilloma Virus Infection Human Papillomavirus Infection Human Papillomavirus Infection An infectious process caused by a human papillomavirus. This infection can cause abnormal tissue growth. NCI Human Papillomavirus Infection Has Synonym PT comorbidity GDC Human Papillomavirus Infection Has Synonym PT risk_factor GDC HPV SY NCI HPV Infection SY NCI Human Papilloma Virus Infection SY NCI Human Papillomavirus Infection DN CTRP Human Papillomavirus Infection PT GDC Human Papillomavirus Infection PT NCI Human Papillomavirus Infection SY caDSR Any abnormal condition of the body or mind that causes discomfort, dysfunction, or distress to the person affected or those in contact with the person. The term is often used broadly to include injuries, disabilities, syndromes, symptoms, deviant behaviors, and atypical variations of structure and function. C2991 Disease or Syndrome Disease or Disorder Disease or Disorder C0012634 CDISC-GLOSS CTDC CTRP GDC ICDC NICHD Any abnormal condition of the body or mind that causes discomfort, dysfunction, or distress to the affected person. NOTE: The term is often used broadly to include injuries, disabilities, syndromes, symptoms, deviant behaviors, and atypical variations of structure and function. [After NCI Thesaurus] See also diagnosis. In medicine, a health problem with certain characteristics or symptoms. Diseases_and_Disorders IMDRF:E23 Diagnosis Disease Disease or Disorder Disease or Disorder, Non-Neoplastic Diseases Diseases and Disorders Disorder Disorders Other Disease condition disease disease term disease type disease_term disease_type disorder Disease or Disorder Any abnormal condition of the body or mind that causes discomfort, dysfunction, or distress to the person affected or those in contact with the person. The term is often used broadly to include injuries, disabilities, syndromes, symptoms, deviant behaviors, and atypical variations of structure and function. NCI Any abnormal condition of the body or mind that causes discomfort, dysfunction, or distress to the affected person. NOTE: The term is often used broadly to include injuries, disabilities, syndromes, symptoms, deviant behaviors, and atypical variations of structure and function. [After NCI Thesaurus] See also diagnosis. CDISC-GLOSS In medicine, a health problem with certain characteristics or symptoms. NCI-GLOSS Diagnosis DN CTDC Disease SY NCI Disease SY NICHD Disease or Disorder PT NCI Disease or Disorder PT NICHD Disease or Disorder SY caDSR Disease or Disorder, Non-Neoplastic PT CTRP Diseases SY NCI Diseases and Disorders SY NCI Disorder SY NCI Disorders SY NCI Other Disease DN CTRP condition PT NCI-GLOSS CDR0000651193 disease PT CDISC-GLOSS disease PT CTDC disease term SY ICDC ICDC disease type SY GDC VAR disease_term PT ICDC ICDC disease_type PT GDC VAR disorder PT NCI-GLOSS CDR0000407758 Any disease caused by a virus. C3439 Disease or Syndrome Viral Infection Viral Infection C0042769 Patient Code (Appendix B) CTRP FDA MedDRA NICHD PCDC Any disease caused by a virus. Viral_Infection Viral infection IMDRF:E1907 Viral Disease Viral Disorder Viral Infection Viral Infection Any disease caused by a virus. NCI Any disease caused by a virus. FDA CDRH Any disease caused by a virus. NICHD Viral infection Has Synonym LLT 10047461 MedDRA 18.1 Viral Disease SY NCI Viral Disease SY NICHD Viral Disorder SY NCI Viral Infection DN CTRP Viral Infection PT FDA 2248 CDRH Viral Infection PT NCI Viral Infection PT NICHD Viral Infection PT PCDC ALL Viral Infection PT PCDC AML Viral Infection PT PCDC HL The radiographic examination of the tracheobronchial tree following the injection of a radiopaque material. C38040 Diagnostic Procedure Bronchography C0006282 Bronchography Bronchography Bronchography The radiographic examination of the tracheobronchial tree following the injection of a radiopaque material. NCI Bronchography PT NCI A radiographic procedure to obtain an image of the urinary bladder by filling the bladder with contrast medium. C38049 Diagnostic Procedure Cystography C0203126 Cystography Cystography Cystography A radiographic procedure to obtain an image of the urinary bladder by filling the bladder with contrast medium. NCI Cystography PT NCI A radiographic examination of the vagina using the intravaginal injection of contrast medium. C38096 Diagnostic Procedure Vaginography C0203051 Vaginography Vaginography Vaginography A radiographic examination of the vagina using the intravaginal injection of contrast medium. NCI Vaginography PT NCI A radiographic procedure using the emission of x-rays to form an image of the structure penetrated by the radiation. C38101 Diagnostic Procedure Radiography X-Ray Imaging C0043299 CDISC CTRP PCDC A radiographic procedure using the emission of x-rays, a type of penetrating energy wave. Radiography Conventional X-Ray Diagnostic Radiology Medical Imaging, X-Ray Radiography Static X-Ray X-RAY X-Ray X-Ray Imaging X-ray X-Ray Imaging A radiographic procedure using the emission of x-rays to form an image of the structure penetrated by the radiation. NCI A radiographic procedure using the emission of x-rays, a type of penetrating energy wave. CDISC Conventional X-Ray SY NCI Diagnostic Radiology SY NCI Medical Imaging, X-Ray SY NCI Radiography DN CTRP Radiography SY caDSR Static X-Ray SY CDISC X-RAY PT CDISC X-Ray PT PCDC ALL X-Ray PT PCDC HL X-Ray SY NCI X-Ray Imaging PT NCI X-ray PT PCDC EWS A radiographic procedure to form an image of the abdomen. C38102 Diagnostic Procedure Abdominal Radiography C0034573 An x-ray of the organs inside the abdomen. An x-ray is a type of radiation that can pass through the body and onto film, making pictures of areas inside the body. X-rays may be used to help diagnose disease. Abdominal_Radiography Abdominal Radiography Abdominal X-Ray abdominal x-ray Abdominal Radiography A radiographic procedure to form an image of the abdomen. NCI An x-ray of the organs inside the abdomen. An x-ray is a type of radiation that can pass through the body and onto film, making pictures of areas inside the body. X-rays may be used to help diagnose disease. NCI-GLOSS Abdominal Radiography PT NCI Abdominal X-Ray SY NCI abdominal x-ray PT NCI-GLOSS CDR0000455670 An x-ray examination of the chest. C38103 Diagnostic Procedure Chest Radiography Chest Radiography C0039985 CTRP An x-ray of the structures inside the chest. An x-ray is a type of high-energy radiation that can go through the body and onto film, making pictures of areas inside the chest, which can be used to diagnose disease. Chest_Radiography Chest Radiography Chest X-ray chest x-ray Chest Radiography An x-ray examination of the chest. NCI An x-ray of the structures inside the chest. An x-ray is a type of high-energy radiation that can go through the body and onto film, making pictures of areas inside the chest, which can be used to diagnose disease. NCI-GLOSS Chest Radiography DN CTRP Chest Radiography PT NCI Chest X-ray SY NCI chest x-ray PT NCI-GLOSS CDR0000304687 20-60 minutes of exercise which elevates your heart rate to 80-90% of your maximum heart rate performed at least 3-4 times per week. C39773 Daily or Recreational Activity Strenuous Exercise C1514989 Strenuous_Exercise Strenuous exercises include jogging, swimming, bicycling, and brisk walking. Maximum heart rate is approximately 220 minus current age in years. Strenuous Activity Strenuous Exercise Strenuous Exercise 20-60 minutes of exercise which elevates your heart rate to 80-90% of your maximum heart rate performed at least 3-4 times per week. NCI Strenuous Activity SY NCI Strenuous Exercise PT NCI An active process; excludes processes and mechanisms which fulfill biological functions. C43431 Activity Activity C0441655 BRIDG Any action that can, in the context of a study or a post-marketing investigation, be defined, planned, scheduled or performed. EXAMPLE(S): surgical procedure, laboratory test, administration of a drug. Any action that can, in the context of a study, experiment, post-marketing investigation, or disease registry, be defined, planned, scheduled or performed. EXAMPLE(S): Administrative activities such as subject registration or informed consent Clinical activities such as surgical procedure, laboratory test, administration of a drug OTHER NAME(S): NOTE(S): Activity Activity General activity Activity An active process; excludes processes and mechanisms which fulfill biological functions. NCI Any action that can, in the context of a study or a post-marketing investigation, be defined, planned, scheduled or performed. EXAMPLE(S): surgical procedure, laboratory test, administration of a drug. BRIDG 3.0.3 Any action that can, in the context of a study, experiment, post-marketing investigation, or disease registry, be defined, planned, scheduled or performed. EXAMPLE(S): Administrative activities such as subject registration or informed consent Clinical activities such as surgical procedure, laboratory test, administration of a drug OTHER NAME(S): NOTE(S): BRIDG 5.3 Activity PT BRIDG 3.0.3 Activity PT BRIDG 5.3 Activity PT NCI Activity SY caDSR General activity SY caDSR The act of going from one place to another. C53462 Activity Travel C0040802 Travel Travel Travel The act of going from one place to another. NCI Travel PT NCI Any disorder other than abnormal tissue growth resulting from uncontrolled cell proliferation. C53529 Disease or Syndrome Non-Neoplastic Disorder C1709246 CDISC CTEP Any disorder other than abnormal tissue growth resulting from uncontrolled cell proliferation. (NCI) Non-Neoplastic_Disorder NON-NEOPLASTIC Non-Neoplastic Disease Non-Neoplastic Disorder Non-neoplastic Disorder Non-neoplastic condition, NOS Non-neoplastic disorder, NOS Non-Neoplastic Disorder Any disorder other than abnormal tissue growth resulting from uncontrolled cell proliferation. NCI Any disorder other than abnormal tissue growth resulting from uncontrolled cell proliferation. (NCI) CDISC NON-NEOPLASTIC PT CDISC Non-Neoplastic Disease SY NCI Non-Neoplastic Disorder PT NCI Non-neoplastic Disorder SY CDISC Non-neoplastic condition, NOS SY CTEP 90600296 SDC Non-neoplastic disorder, NOS PT CTEP 90600296 SDC C53547 Disease or Syndrome Non-Neoplastic Disorder by Special Category C1709248 Non-Neoplastic_Disorder_by_Special_Category Non-Neoplastic Disease by Special Category Non-Neoplastic Disorder by Special Category Non-Neoplastic Disorder by Special Category Non-Neoplastic Disease by Special Category SY NCI Non-Neoplastic Disorder by Special Category HD NCI A stopping. C61497 Activity Cessation C1880019 Cessation Cessation Cessation A stopping. NCI Cessation PT NCI Cessation SY caDSR The radiographic examination of the bile ducts after a contrast medium has been injected. C61508 Diagnostic Procedure Cholangiography C0008307 Cholangiography Cholangiography Cholangiography The radiographic examination of the bile ducts after a contrast medium has been injected. NCI Cholangiography PT NCI A condition that is relevant to human neoplasms and non-neoplastic disorders. This includes observations, test results, history and other concepts relevant to the characterization of human pathologic conditions. C7057 Conceptual Entity Disease, Disorder or Finding C1511989 Diseases_Disorders_and_Findings Disease, Disorder or Finding Disease, Disorder or Finding A condition that is relevant to human neoplasms and non-neoplastic disorders. This includes observations, test results, history and other concepts relevant to the characterization of human pathologic conditions. NCI Disease, Disorder or Finding PT NCI The act of traveling by foot. C73554 Daily or Recreational Activity Walking C0080331 Walking Ambulation By Foot On Foot Walk Walking Walking The act of traveling by foot. NCI Ambulation SY NCI By Foot SY NCI On Foot SY caDSR Walk SY NCI Walking PT NCI Walking SY caDSR The state of not having a job. C75563 Qualitative Concept Unemployed C0041674 ACC/AHA CDISC The state of not having a job. Unemployment Does Not Work Doesn't Work Don't Work NOT EMPLOYED No UNEMPLOYMENT Unemployed Unemployment Unemployed The state of not having a job. NCI The state of not having a job. CDISC Does Not Work SY NCI Doesn't Work SY NCI Don't Work SY NCI NOT EMPLOYED PT CDISC SDTM-EMPSTAT No PT ACC/AHA PCC UNEMPLOYMENT PT CDISC SDTM-RISKSOC Unemployed PT NCI Unemployment SY NCI A type of lifestyle that lacks physical exercise, characterized by sitting, reading, watching television or using a computer for much of the day without vigorous physical exertion. C86589 Social Behavior Sedentary Lifestyle Sedentary Lifestyle C1532253 CTRP Sedentary Behavior Sedentary Lifestyle Sedentary Lifestyle A type of lifestyle that lacks physical exercise, characterized by sitting, reading, watching television or using a computer for much of the day without vigorous physical exertion. NCI Sedentary Behavior SY NCI Sedentary Lifestyle DN CTRP Sedentary Lifestyle PT NCI An infectious or non infectious disorder characterized by signs and symptoms derived from focal or extensive tissue infiltration by acute (e.g., polymorphonuclear) or chronic (e.g., lymphocytic-plasmacytic) inflammatory cells. Representative examples of infectious disorders include viral infections, bacterial infections, and parasitic infections. Representative examples of non-infectious inflammatory disorders include inflammatory bowel disease and inflammatory polyps. C93210 Disease or Syndrome Inflammatory Disorder C1290884 SeroNet Inflammatory Disease Inflammatory Disorder Inflammatory_Disease Inflammatory Disorder An infectious or non infectious disorder characterized by signs and symptoms derived from focal or extensive tissue infiltration by acute (e.g., polymorphonuclear) or chronic (e.g., lymphocytic-plasmacytic) inflammatory cells. Representative examples of infectious disorders include viral infections, bacterial infections, and parasitic infections. Representative examples of non-infectious inflammatory disorders include inflammatory bowel disease and inflammatory polyps. NCI Inflammatory Disease SY NCI Inflammatory Disorder PT NCI Inflammatory_Disease PT SeroNet An act of aggression between individuals. C93214 Activity Violence C0042693 Violence Violence An act of aggression between individuals. NCI Violence PT NCI Discontinuation of the use of tobacco in any form. C96001 Activity Tobacco Use Cessation C0600549 Tobacco Use Cessation Tobacco Use Cessation Discontinuation of the use of tobacco in any form. NCI Tobacco Use Cessation PT NCI A diagnostic radiologic test that involves the examination of the entire body in a single procedure. C96640 Diagnostic Procedure Total Body Radiography C3272922 CDISC A diagnostic radiologic test that involves the examination of the entire body in a single procedure. TOTAL BODY RADIOGRAPHY Total Body Radiography Total Body Radiography A diagnostic radiologic test that involves the examination of the entire body in a single procedure. NCI A diagnostic radiologic test that involves the examination of the entire body in a single procedure. CDISC TOTAL BODY RADIOGRAPHY PT CDISC Total Body Radiography PT NCI radiation electromagnetic radiation gamma radiation x-ray radiation ultraviolet radiation visible light radiation infrared radiation far-infrared radiation mid-infrared radiation near-infrared radiation microwave radiation radiowave radiation sound radiation ultrasound radiation A process that realizes a plan which is the concretization of a plan specification. planned process organism A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs. WEB: http://en.wikipedia.org/wiki/Organism organism A dependent entity that inheres in a bearer by virtue of how the bearer is related to other entities quality (PATO) PATO:0000072 quality PATO:0000001 quality A dependent entity that inheres in a bearer by virtue of how the bearer is related to other entities PATOC:GVG A single physical entity inhering in an bearer by virtue of the bearer's quantities or relative ratios of subparts. composed of compositionality content structure, composition composition A quality inhering in a substance by virtue of the amount of the bearer's there is mixed with another substance. concentration quality PATO:0000033 concentration of A physical quality inhering in a bearer by virtue of the bearer's resistance to pressure, being broken, or pierced impenetrability toughness hardness A quality of a single physical entity inhering in the bearer by virtue of the bearer's size or shape or structure. morphology A morphological quality inhering in a bearer by virtue of the bearer's ratios of distances between its features (points, edges, surfaces and also holes etc). relational shape quality shape quality PATO:0000068 TODO: define this or obsolete it and move children somewhere else. qualitative A quality inhering in a bearer by virtue of the whether the bearer differs from normal or average. quality PATO:0000069 deviation (from_normal) A quality inhering in a bearer by virtue of the whether the bearer differs from normal or average. PATOC:GVG The number of entities of this type that are part of the whole organism. PATO:0000053 PATO:0000071 PATO:0001169 PATO:0001226 presence or absence in organism quantitative quality count in organism number presence PATO:0000070 This term was originally named "presence". It has been renamed to reduce ambiguity. Consider annotating with the reciprocal relation,PATO:0001555, has_number_of. For example, rather than E=fin ray Q=count in organism C=10, say E=organism Q=has number of E2= fin ray C=10. amount The number of entities of this type that are part of the whole organism. PATOC:GVG A quality inhering in a bearer by virtue of the bearer's disposition to detect or perceive external stimulation. sensitivity sensitivity toward A morphology quality inhering in a bearer by virtue of the bearer's physical magnitude. size A physical quality that inheres in a bearer by virtue of the proportion of the bearer's amount of matter. mass A spatial quality inhering in a bearer by virtue of the bearer's spatial location relative to other objects in the vicinity. location placement relational spatial quality position A morphology quality inhering in a bearer by virtue of the bearer's relative position, shape, arrangements and connectivity of an organism's various parts; the pattern underlying its form. conformation relational structural quality structure A physical quality of the thermal energy of a system. quality PATO:0000146 temperature A physical quality of the thermal energy of a system. PATOC:GVG A morphologic quality inhering in a bearer by virtue of the bearer's relative size, organization and distribution of its surface elements or the representation or invention of the appearance of its surface; visual and tactile surface characteristics. texture A quality of a single process inhering in a bearer by virtue of the bearer's occurrence per unit time. rate A hardness quality of being rigid and resistant to pressure. firm impenetrable tough hard A curvature quality inhering in a bearer by virtue of the bearer's having or being marked by a curve or smoothly rounded bend. bowing curled curved A quality inhering in a bearer by virtue of the bearer's having a horizontal surface without a slope, tilt, or curvature. plate-like flat A quality inhering in a bearer by virtue of the bearer's exhibiting no deviation from normal or average. quality average PATO:0000461 normal A quality inhering in a bearer by virtue of the bearer's exhibiting no deviation from normal or average. PATOC:GVG A quality inhering in a bearer by virtue of the bearer's existence. quality present in organism PATO:0000467 present A quality inhering in a bearer by virtue of the bearer's existence. PATOC:GVG An amount which is relatively high. PATO:0000420 PATO:0000650 increased number present in greater numbers in organism supernumerary quality accessory increased PATO:0000470 increased amount An amount which is relatively high. PATOC:GVG A size quality which is relatively high. big enlarged expanded great large increased size A size quality which is relatively low. hypoplasia underdeveloped reduced small tiny decreased size A rate which is relatively high. fast rate high rate increased rate A 1-D extent quality which is equal to the dimension through an object as opposed to its length or width. Damion Dooley's note: A measure of thickness is usually the smallest diameter of an object. thickness An optical quality which obtains by virtue of the ability of the bearer to absorb visible light. opacity A optical quality inhering in a bearer by virtue of the bearer's not being clear; not transmitting or reflecting light or radiant energy. non-transparent clouding cloudy opaque A structural quality inhering in a bearer by virtue of the bearer's disposition to being permeated or pervaded by a gas or liquid (as by osmosis or diffusion). permeability A structure quality inhering in a bearer by virtue of the bearer's disposition to admit the passage of gas or liquid through pores or interstices. porosity A permeability quality inhering in a bearer by virtue of the bearer's being incapable of being permeated or pervaded by a gas or liquid (as by osmosis or diffusion). impermeable A porosity quality inhering in a bearer by virtue of the bearer's being capable of admitting the passage of gas or liquid through pores or interstices. porous A physical quality of a fluid inhering in a bearer by virtue of the bearer's disposition to internal resistance to flow. viscosity A viscosity quality inhering in a bearer by virtue of the bearer's having viscosity. viscous A quality of a physical entity that exists through action of continuants at the physical level of organisation in relation to other entities. PATO:0002079 Wikipedia:Physical_property relational physical quality quality PATO:0001018 physical quality A quality of a physical entity that exists through action of continuants at the physical level of organisation in relation to other entities. PATOC:GVG A physical quality which inheres in a bearer by virtue of some influence is exerted by the bearer's mass per unit size. density mass density A physical quality that inheres in a bearer by virtue of the bearer's amount of force per unit area it exerts. quality PATO:0001025 pressure A physical quality that inheres in a bearer by virtue of the bearer's amount of force per unit area it exerts. PATOC:GVG A quality inhering in a bearer by virtue of the bearer's length being notably higher than its width. elongated A concentration quality inhering in a bearer by virtue of the bearer's exhibiting concentration. concentrated A concentration which is higher relative to the normal or average. increased concentration A physical quality which inheres in a bearer by virtue of the bearer's exhibiting density. dense A shape quality inhering in a bearer by virtue of the bearer's being narrow, with the two opposite margins parallel. linear A variability quality inhering in a bearer by virtue of whether the bearer exhibits variation or change. variable variant A quality which inheres in an process. PATO:0001239 PATO:0001240 quality of a process quality of occurrent quality of process relational quality of occurrent quality PATO:0001236 See comments of relational quality of a physical entity. process quality A quality which inheres in an process. PATOC:GVG A quality which inheres in a continuant. PATO:0001237 PATO:0001238 snap:Quality monadic quality of a continuant multiply inhering quality of a physical entity quality of a continuant quality of a single physical entity quality of an object quality of continuant monadic quality of an object monadic quality of continuant quality PATO:0001241 Relational qualities are qualities that hold between multiple entities. Normal (monadic) qualities such as the shape of a eyeball exist purely as a quality of that eyeball. A relational quality such as sensitivity to light is a quality of that eyeball (and connecting nervous system) as it relates to incoming light waves/particles. physical object quality A quality which inheres in a continuant. PATOC:GVG A physical quality that inheres in an bearer by virtue of how that bearer interacts with electromagnetic radiation. electromagnetic (EM) radiation quality An EM radiation quality in which the EM radiation is within the fiat range of the spectrum visible deemed to be light. optical quality A quality inhering in a bearer by virtue of the bearer's disposition to varying or changing. variability of a physical quality variability A temperature which is relatively high. PATO:0000678 high temperature hot quality PATO:0001305 increased temperature A temperature which is relatively high. PATOC:GVG A temperature which is relatively low. PATO:0000677 cold low temperature quality PATO:0001306 decreased temperature A temperature which is relatively low. PATOC:GVG A morphology quality inhering in a bearer by virtue of the bearer's lack of distinct morphology. amorphous A monadic quality of continuant that exists at the cellular level of organisation. quality PATO:0001396 cellular quality A monadic quality of continuant that exists at the cellular level of organisation. PATOC:GVG A cellular quality inhering in a bearer by virtue of bearer's number of nuclei. quality PATO:0001404 nucleate quality A cellular quality inhering in a bearer by virtue of bearer's number of nuclei. PATOC:GVG A nucleate quality inhering in a bearer by virtue of the bearer's having no nucleus. quality PATO:0001405 anucleate A nucleate quality inhering in a bearer by virtue of the bearer's having no nucleus. Biology-online:Biology-online A nucleate quality inhering in a bearer by virtue of the bearer's having two nuclei. quality PATO:0001406 binucleate A nucleate quality inhering in a bearer by virtue of the bearer's having two nuclei. Biology-online:Biology-online A nucleate quality inhering in a bearer by virtue of the bearer's having one nucleus. quality PATO:0001407 mononucleate A nucleate quality inhering in a bearer by virtue of the bearer's having one nucleus. Biology-online:Biology-online A structural quality inhering in a bearer by virtue of the bearer's having distinct structure. structured A structural quality inhering in a bearer by virtue of the bearer's lacking distinct structure. unstructured A concentration quality inhering in a medium by virtue of the bearer's tendency to hydronate a specific reference base. medium acidity An medium acidity quality inhering in a solution by virtue of the bearer's a high concentration of H+ ions. acidic A sensitivity quality inhering in a bearer by virtue of the bearer's dependence on oxygen. sensitivity to oxygen A quality inhering in a bearer by virtue of the bearer's independence on oxygen. anaerobic A position which is relatively high. high position increased position A positional which is relatively low. low position decreased position A shape quality inhering in a bearer by virtue of the bearer's having an oblique or slanted direction. sloped A structural quality inhering in a bearer by virtue of the bearer's being thicker or more closely packed together; pressed tightly together. compact compressed squashed dense condensed A physical quality inhering in a bearer by virtue of the bearer's disposition to being turned, bowed, or twisted without breaking. flexibility A physical quality inhering in a bearer by virtue of the bearer's inability of being turned, bowed, or twisted without breaking. stiff stiffness inflexible A physical quality inhering in a bearer by virtue of the bearer's exhibiting the physical characteristics of an entity characterized by particles arranged such that their shape and volume are relatively stable. solidity quality of a solid A physical quality inhering in a bearer by virtue of the bearer's exhibiting the physical characteristics of an entity consisting of particles that have neither a defined volume nor defined shape. gaseous quality of a gas A physical quality inhering in an entity exhibiting the physical characteristics of an amorphous (non-crystalline) form of matter between a gas and a solid that has a definite volume, but no definite shape. liquidity quality PATO:0001548 quality of a liquid A physical quality inhering in an entity exhibiting the physical characteristics of an amorphous (non-crystalline) form of matter between a gas and a solid that has a definite volume, but no definite shape. url:http://www.chemistry-dictionary.com/definition/liquid.php The number of parts of a particular type that the bearer entity has. This is a relational quality, and thus holds between two entities: the bearer of the quality, and the type of parts. OBO_REL:has_part extra or missing physical or functional parts has or lacks parts of type mereological quality number of quality cardinality number PATO:0001555 has number of The number of parts of a particular type that the bearer entity has. This is a relational quality, and thus holds between two entities: the bearer of the quality, and the type of parts. PATOC:CJM A mass which is lower than normal or average. low mass small mass decreased mass A mass which is higher than normal or average. high mass large mass increased mass A pressure which is relatively low. low pressure quality PATO:0001575 decreased pressure A pressure which is relatively low. PATO:GVG A pressure which is relatively high. high pressure quality PATO:0001576 increased pressure A pressure which is relatively high. PATO:GVG A surface shape quality inhering in a bearer by virtue of the bearer's exhibiting a degree of bending. curvature A concentration quality inhering in a bearer by virtue of the bearer's amount of osmoles of solute per liter of solution. osmolarity A osmolarity which is relatively high. high osmolarity increased osmolarity A positional quality inhering in a bearer by virtue of the bearer's vertical distance of a point above or below a reference surface. elevation An elevation which is relatively high. high elevation elevated increased elevation An elevation which is relatively low. low elevation decreased elevation A viscosity which relatively high. high viscosity increased viscosity A size quality inhering in an bearer by virtue of the bearer's extension in one dimension. 1-D extent A quality that inheres in an bearer by virtue of how that bearer interacts with radiation. radiation quality A composition quality inhering in a bearer by virtue of the bearer's containing granules. granular A density which is higher relative to the normal or average. high density increased mass density A curvature quality inhering in a bearer by virtue of the bearer's having a shape resembling a dome. domed A quality inhering in a bearer by virtue of whether the bearer's being covered by a liquid. wetness A wetness quality inhering in a bearer by virtue of the bearer's not being covered by a liquid. dry A concentration quality inhering in a bearer by virtue of the bearer's containing acid (hydrogen ions). pH acidity An acidity which is relatively high. high acidity increased acidity A positional quality inhering in a bearer by virtue of the bearer's being in the plane of the horizon. horizontal A physical quality inhering in a bearer by virtue the bearer's disposition to being water-repellent; tending to repel and not absorb water. hydrophobicity A quality inhering in a bearer by virtue of the bearer's lacking affinity for water; tending to repel and not absorb water; tending not to dissolve in or mix with or be wetted by water. hydrophobic A nucleate quality inhering in a bearer by virtue of the bearer's having more than one nucleus. quality PATO:0001908 multinucleate A nucleate quality inhering in a bearer by virtue of the bearer's having more than one nucleus. PATOC:GVG A quality inhering in a bearer by virtue of the bearer's being kept below its freezing point. quality PATO:0001985 frozen A quality inhering in a bearer by virtue of the bearer's being kept below its freezing point. OBI:OBI An organismal quality inhering in a bearer by virtue of the bearer's consisting cells. quality PATO:0001992 cellularity An organismal quality inhering in a bearer by virtue of the bearer's consisting cells. PATOC:GVG A cellularity quality inhering in a bearer by virtue of the bearer's consisting of more than one cell. quality PATO:0001993 multicellular A cellularity quality inhering in a bearer by virtue of the bearer's consisting of more than one cell. PATOC:GVG A quality that inheres in an entire organism or part of an organism. quality PATO:0001995 organismal quality A quality that inheres in an entire organism or part of an organism. PATOC:CJM An amount which is relatively low. PATO:0000419 PATO:0000468 decreased number present in fewer numbers in organism quality decreased reduced subnumerary PATO:0001997 decreased amount An amount which is relatively low. PATOC:GVG physical quality of a process A shape inhering in a bearer by virtue of the bearer's being elongated and cylindrical. columnar A quality inhering in a bearer by virtue of the bearer's processing the form of a thin plate sheet or layer. laminar sloped downward A positional quality inhering in a bearer by virtue the bearer's being changed in position. displaced A quality which inheres in a molecular entity, a single molecule, atom, ion, radical etc. relational molecular quality molecular quality A quality inhering in a bearer by virtue of its constitution. George Gkoutos 2010-03-15T04:35:27Z quality PATO:0002198 quality of a substance A quality inhering in a bearer by virtue of its constitution. PATOC:GVG A quality inhering in a bearer by virtue of the bearer's being roundish, flattish shape, possibly with a slightly angled edge. plate-like platelike A quality inhering in a bearer by virtue of the bearer's surface becoming more extended in a plane. compressed flattened edge shape A positional quality inhering in a bearer by virtue of the bearer's being located in a position equidistant from edges. centered A quality that has a value that is increased compared to normal or average. George Gkoutos 2011-06-16T06:39:43Z quality PATO:0002300 increased quality A quality that has a value that is increased compared to normal or average. PATOC:GVG A quality that has a value that is decreased compared to normal or average. George Gkoutos 2011-06-16T06:40:15Z quality PATO:0002301 decreased quality A quality that has a value that is decreased compared to normal or average. PATOC:GVG A quality of a process that has a value that is decreased compared to normal or average. George Gkoutos 2011-06-16T06:50:59Z quality PATO:0002302 decreased process quality A quality of a process that has a value that is decreased compared to normal or average. PATOC:GVG A quality of an object that has a value that is decreased compared to normal or average. George Gkoutos 2011-06-16T06:51:54Z quality PATO:0002303 decreased object quality A quality of an object that has a value that is decreased compared to normal or average. PATOC:GVG A quality of a process that has a value that is increased compared to normal or average. George Gkoutos 2011-06-16T06:53:08Z quality PATO:0002304 increased process quality A quality of a process that has a value that is increased compared to normal or average. PATOC:GVG A quality of an object that has a value that is increased compared to normal or average. George Gkoutos 2011-06-16T06:54:01Z quality PATO:0002305 increased object quality A quality of an object that has a value that is increased compared to normal or average. PATOC:GVG Recurrent and often more or less cyclic alteration. fluctuating A nucleate quality inhering in a bearer by virtue of the bearer's having one or more nucleus. 2013-10-21T05:44:34Z quality PATO:0002505 nucleated A nucleate quality inhering in a bearer by virtue of the bearer's having one or more nucleus. PATOC:GVG A quality inhering in air by virtue of the partial pressure exerted by the bearer's water vapour content. humidity An increase in humidity. humid increased humidity The propensity of a material to undergo combustion. Combustion encompasses smouldering and flaming combustion. Combustibility is usually applied to solids. combustibility An increase in combustibility. combustible increased combustibility A shape quality inhering in a bearer by virtue of the bearer's having an ornamental border consisting of short straight or twisted threads or strips hanging from cut or raveled edges or from a separate band. fringed A quality of continuant that exist at the anatomical level of organisation and anything under it. This includes, but is not limited to, cells , tissues, and components. http://orcid.org/0000-0001-7258-9596 quality PATO:0070044 anatomical structure quality A quality of a substance on which or through which electromagnetic radiation impinges or traverses with respect to radiation. This substance quality changes the quality of the incident radiation with respect to any of: intensity, direction, scatter and wavelength. quality of interaction of a substance with electromagnetic radiation Examples include: population, community, species (meaning the collection of organisms that makes up a species, not the taxonomic rank), and family. A material entity that consists of two or more organisms, viruses, or viroids. group of organism organism collection May be of the same or different species. collection of organisms This a general term that can include every organism of a species living in an area or any subset of them. Subclasses can be more specific as needed. A collection of organisms, all of the same species, that live in the same place. ISBN:0878932739 It is sometimes difficult to define the physical boundaries of a population. In the case of sexually reproducing organisms, the individuals within a population have the potential to reproduce with one another during the course of their lifetimes. 'Community', as often used to describe a group of humans, is a type of population of organisms. Classes for population already exist in IDO ('organism population', IDO_0000509) and OBI ('population', OBI_0000181). The definitions should be standardized across OBO Foundry ontologies and only one term used. population of organisms A multi-species collection of organisms of at least two different species, living in a particular area. Must have at least two populations of different species as members. multispecies community ISBN:0865423504 envoPolar Ecological community is defined broadly here, but includes both ecological interactions (inherited from parent term community) and spatial co-existence. It may be used to describe every organisms living in an area, but is often used to refer only to organisms of a particular taxon or guild (e.g., the plant community, the insect community, the herbivore community). The word community, as it often used to describe a group of humans living together, is a type of single-species collection of organisms, not an ecological community. ecological community A material entity that has as parts two or more organisms, viruses, or viroids of the same species and no members of any other species. collection of organisms of the same species single-species collection of organisms A collection of organisms that consists of two or more organisms from at least two species. Need to add axiom to specify that it has at a mimum members of two different species, but not sure how to specify that. Can't say "('has member' only ('member of' min 2 'species as a collection of organisms'))". multi-species collection of organisms A material entity that is one or more organisms, viruses or viroids. organismal entity A plant structure (PO:0005679) which is a whole organism. genet (broad) ramet (broad) PO_GIT:538 PO_GIT:69 planta entera (Spanish, exact) 植物体全体 (Japanese, exact) bush (narrow) frutex (narrow) frutices (narrow) gametophyte (narrow) herb (narrow) liana (narrow) prothalli (narrow) prothallium (narrow) prothallus (narrow) seedling (narrow) shrub (narrow) sporophyte (narrow) suffrutex (narrow) suffrutices (narrow) tree (narrow) vine (narrow) woody clump (narrow) plant_anatomy clonal colony (related) colony (related) PO:0000003 Examples include plant embryo (PO:0009009), megagametophyte (PO:0025279) and microgametophyte (PO:0025280). whole plant A plant structure (PO:0005679) which is a whole organism. POC:curators planta entera (Spanish, exact) POC:Maria_Alejandra_Gandolfo 植物体全体 (Japanese, exact) NIG:Yukiko_Yamazaki frutex (narrow) FNA:e4dde193-57f7-4ab9-9d25-96b4ca0088ba frutices (narrow) FNA:ec8c2064-2a67-43d7-8e14-aecfef5cf33b prothalli (narrow) FNA:4b610104-1bb0-4c6b-9bb9-e3cc61d11ac0 prothallus (narrow) FNA:f8f31520-e4bc-4430-9274-8dd3cee7ffd8 suffrutex (narrow) FNA:99508f62-7116-4e2b-90c0-19ff55ebd967 suffrutices (narrow) FNA:ba1b1bd5-75bd-4195-b11c-3aba08da08c2 woody clump (narrow) FNA:c1ccca7d-2a98-4a9d-8603-c34b551935e0 A vascular leaf (PO:0009025) born in a circular pattern around a stem (PO:0009047) with compressed stem internodes (PO:0020142). PO_GIT:302 hoja en roseta (Spanish, exact) ロゼット葉 (Japanese, exact) plant_anatomy PO:0000014 Arabidopsis, vegetative development is characterized by the production of the rosette leaves. rosette leaf A phyllome primordium (PO:0025128) that develops from a vascular leaf anlagen (PO:0025431) and is part of a vegetative shoot apex (PO:0025223) and is committed to the development of a vascular leaf (PO:0009025). PO_GIT:466 leaf primordium (exact) portion of vascular leaf primordium tissue (exact) primordio de hoja (Spanish, exact) vascular leaf primordia (exact, plural) 葉原基 (Japanese, exact) plant_anatomy PO:0000017 vascular leaf primordium A floral structure primordium (PO:0025477) that is committed to the development of an ovule (PO:0020003). PO_GIT:465 portion of ovule primordium tissue (exact) primordio de &#243vulo (Spanish, exact) 胚珠原基（可視的） (Japanese, exact) plant_anatomy PO:0000018 The transition from ovule primordium to ovule occurs when an integument (PO:0020021) begins to develop from the protoderm (PO:0006210). ovule primordium A floral structure primordium (PO:0025477) that is committed to the development of a gynoecium (PO:0009062). PO_GIT:465 pistil primordium (exact) portion of gynoecium primordium tissue (exact) primordio de gineceo (Spanish, exact) 雌蕊原基(可視的） (Japanese, exact) plant_anatomy PO:0000019 Use carpel primordium (PO:0004703) for the primordium (PO:0025127) of an individual carpel (PO:0009030). gynoecium primordium A shoot axis (PO:0025029) that is the most distal part of a shoot system (PO:0009006) and has as parts a shoot apical meristem (PO:0020148) and the youngest primordia (PO:0025127). PO_GIT:234 &#225pice del epiblasto (epiblastema) (Spanish, exact) シュート頂、茎頂 (Japanese, exact) plant_anatomy PO:0000037 shoot axis apex A root (PO:0009005) that is initiated in a developing plant embryo (PO:0009009). PO_GIT:594 embryonic root (exact) ra&#237z embri&#243nica (Spanish, exact) 初期の根、胚根 (Japanese, exact) plant_anatomy PO:0000045 embryo root An undeveloped shoot system (PO:0009006). PO_GIT:124 yema (Spanish, exact) 芽 (Japanese, exact) adventitious bud (narrow) plant_anatomy PO:0000055 bud A bud that develops into a flower. PO_GIT:124 floral bud (exact) yema floral (Spanish, exact) 花芽 (Japanese, exact) plant_anatomy PO:0000056 flower bud A portion of meristem tissue (PO:0009013) which is the organogenic region of the meristem, characterized by higher rates of cell division. zona perif&#233rica (Spanish, exact) 周辺帯 (Japanese, exact) plant_anatomy peripheral meristem (related) PO:0000225 peripheral zone A portion of reproductive shoot apical meristem tissue (PO:0008028) that gives rise to the floral organs (PO:0025395). PO:0006329 PO:0006373 PO:0006374 PO:0025091 floral meristem (exact) mersitema floral (Spanish, exact) 花芽分裂組織 (Japanese, exact) Poaceae floret meristem (narrow) ear floret meristem (narrow) floret meristem (narrow) tassel floret meristem (narrow) plant_anatomy floral apical meristem (related) PO:0000229 In Zea mays and other grasses, the floret meristem is part of a spikelet and develops into a specific type of floret. If you are annotating to this structure for Zea mays or other grasses, please also add an annotation to the spikelet type that the meristem is part of. Choose the most specific term possible from: spikelet (PO:0009051), ear spikelet (PO:0006320), ear pedicellate spikelet (PO:0006348), ear sessile spikelet (PO:0006349), tassel spikelet (PO:0006309), tassel pedicellate spikelet (PO:0006312), tassel sessile spikelet (PO:0006311). flower meristem A native plant cell (PO:0025606) synthesizing protoplasm and producing new cells by division and with only a primary cell wall. CL:0000034 PO_GIT:272 c&#233lula meristem&#225tica (Spanish, exact) stem cell (exact) 分裂組織細胞 (Japanese, exact) plant_anatomy PO:0004010 meristematic cell A shoot axis (PO:0025029) that develops from a branch (PO:0025073) and is radially enlarged for storage. diaspore (broad) PO_GIT:127 shoot axis branch tuber (exact) tub&#233rculo (Spanish, exact) tuber branch (exact) シュート軸塊茎 (Japanese, exact) plant_anatomy PO:0004543 Functions in storage of photosynthate metabolites. This term should be used for tubers derived from branches, as found in Solanum spp. (e.g. potato) or Dioscorea spp. (e.g. yam) and other species. Use the term tuberous root tuber (PO:0025476) for tubers derived from roots, such as those found in Cassava, Ipomoea, or Hemerocallis. shoot axis tuber A bud (PO:0000055) that develops from an axillary bud meristem (PO:0000232). PO_GIT:124 yema axilar (Spanish, exact) 腋芽 (Japanese, exact) plant_anatomy PO:0004709 axillary bud A primordium (PO:0025127) that develops from a root anlagen (PO:0025433) and is committed to the development of a root (PO:0009005). PO_GIT:467 portion of root primordium tissue (exact) primordio de ra&#237z (Spanish, exact) root primordia (exact, plural) 根原基（可視的） (Japanese, exact) plant_anatomy PO:0005029 A root primordium may arise from cells of a pericycle (PO:0006203) in a root in most seed plant (pericyclic lateral root primordium; PO:0025492), from cells of an endodermis (PO:0000252) in ferns and some seed plants (non-pericyclic lateral root primordium: PO:0025493), or from cells of a shoot axis (PO:0025029), in the case of a basal root primordium (PO:0025479) or shoot-borne root primordium (PO:0025480). Transition from root primordium to root occurs with the formation of a root cap (PO:0020123), shortly after the development of a root apical meristem (PO:0020147). root primordium A lateral plant organ (PO:0009008) produced by a shoot apical meristem (PO:0020148). filoma (Spanish, exact) フィロム、葉(的）器官 (Japanese, exact) plant_anatomy PO:0006001 phyllome A portion of meristem tissue (PO:0009013) that is part of a shoot system (PO:0009006). PO_GIT:472 PO_GIT:583 meristema del epiblasto (epiblastema) (Spanish, exact) シュート分裂組織 (Japanese, exact) plant_anatomy PO:0006079 shoot system meristem A portion of meristem tissue (PO:0009013) that is the outer layer of an apical meristem (PO:0020144), or the outer layer of a plant embryo proper (PO:0000001), and gives rise to a portion of epidermis (PO:0005679). PO_GIT:125 portion of protoderm tissue (exact) protodermis (Spanish, exact) 前表皮、原表皮 (Japanese, exact) plant_anatomy dermatogen cell (related) PO:0006210 A protoderm may or may not arise from independent initial cells (PO:0004011). Some researchers also refer to it as an epidermis in a meristematic state. protoderm A plant structure development stage (PO:0009012) that has as primary participant a whole plant (PO:0000003). PO_GIT:390 plant_structure_development_stage Solanaceae whole plant growth stages (SGN:0000001) (related) cereal plant growth stage ontology (GRO:0007199) (related) maize growth stage (GRO:0007002) (related) plant growth stages in Arabidopsis (TAIR:0000021) (related) rice growth stage (GRO:0007040) (related) sorghum growth stage (GRO:0007124) (related) wheat, barley and oat growth stage (GRO:0007156) (related) PO:0007033 whole plant development stage A shoot apical meristem (PO:0020148) that gives rise to the apical growth of vegetative tissues and organs. PO_GIT:36 meristema vegetativo apical del epiblasto (epiblastema) (Spanish, exact) 栄養シュート頂端分裂組織 (Japanese, exact) plant_anatomy vegetative meristem (related) PO:0008016 vegetative shoot apical meristem A shoot apical meristem (PO:0020148) that gives rise to the apical growth of reproductive tissues and organs. PO_GIT:36 meristema apical reproductivo del epiblasto (epiblastema) (Spanish, exact) 生殖シュート頂端 分裂組織 (Japanese, exact) plant_anatomy PO:0008028 reproductive shoot apical meristem A multi-tissue plant structure (PO:0025496) that develops from a gynoecium (PO:0009062), or a single carpel (PO:0009030), and at maturity may have as parts one or more seeds (PO:0009010). PO:0020067 PO:0020068 PO:0020069 PO:0020070 PO:0020071 PO:0020072 PO:0020073 PO:0020074 PO:0020076 PO:0020077 PO:0020078 PO:0020079 PO:0020080 PO:0020082 PO:0020083 PO:0020087 PO:0020107 aggregate fruit (broad) compound fruit (broad) dehiscent fruit (broad) diaspore (broad) indehiscent fruit (broad) multiple fruit (broad) propagule (broad) PO_GIT:76 frucht (exact, German) fruto (exact, Spanish) 果実 (exact, Japanese) coenocarp (narrow) syncarp (narrow) plant_anatomy PO:0009001 A fruit (PO:0009001) may contain additional plant structures (PO:0009011) that were part of a flower (PO:0009046) and mature along with the gynoecium, such as a receptacle (PO:0009064). A fruit may develop without fertilization in cases of parthenocarpy, apomixis, or other hormone-induced conditions and may not always contain seeds (PO:0009010). When annotating to fruit (PO:0009001) that are referred to as ‘aggregate’, ‘multiple’, or ‘compound’, please annotate directly to the appropriate plant structure, such as receptacle, hypanthium (PO:0009065) or infructescence (PO:0006342). Fruits only occur in angiosperms. fruit https://en.wikipedia.org/wiki/Fruit_anatomy A cell which is a plant structure (PO:0009011). cell (broad) GO:0005623 PO_GIT:56 c&#233lula vegetal (Spanish, exact) 植物細胞 (Japanese, exact) plant_anatomy PO:0009002 Applies to cells that are living or dead at maturity (e.g., fiber cell or tracheid) and includes any external encapsulating structures (if present) such as the plasma membrane and the plant-type cell wall. Definition of cell GO:0005623: "The basic structural and functional unit of all organisms. Includes the plasma membrane and any external encapsulating structures such as the cell wall and cell envelope". GO:0009505. Definition of plant-type cell wall (GO:0009505): A more or less rigid structure lying outside the cell membrane of a cell and composed of cellulose and pectin and other organic and inorganic substances, synonym; exact: cellulose and pectin-containing cell wall. plant cell A plant axis (PO:0025004) that lacks shoot axis nodes (PO:0005004) and usually grows indeterminately. PO:0003006 PO_GIT:578 ra&#237z (Spanish, exact) radices (exact, plural) radix (exact) 根 (Japanese, exact) aerial root (narrow) climbing root (narrow) plant_anatomy PO:0009005 Roots function in the absorption of water and inorganic nutrients, anchoring the plant body to the substrate and supporting it, storage of food and nutrients, and vegetative reproduction. The roots of most vascular plant species enter into symbiosis with soil-borne microorganisms. Roots are usually positively geotropic and found underground, although there are many exceptions such as the aerial roots of orchids. Roots often form secondary thickening from the root lateral meristem (PO:0006308). Commonly thought of as one of the three basic parts of the plant body, along with the shoot axis (PO:0025029) and leaves (PO:0025034). root A collective plant organ structure (PO:0025007) that produces shoot-borne portions of meristem tissue (PO:0009013) and the plant structures (PO:0009011) that arise from them. PO_GIT:135 sistema de epiblasto (epiblastema) (Spanish, exact) シュート系、苗条系 (Japanese, exact) tree crown (narrow) plant_anatomy Poaceae crown (related) shoot (related) thalli (related) thallus (related) PO:0009006 The shoot system is generally used to refer to the above-ground plant parts, although some plants have parts of their shoot system underground. For example, a rhizome (PO:0004542), bulb (PO:0025356), a corm (PO:0025355) or a subterranean tuber (PO:0004547), as in Solanum tuberosum (potato) or yam, are all part of the shoot system. shoot system A plant structure (PO:0009011) that consists predominantly of similarly specialized plant cells (PO:0009002) of one or more types. portion of tissue (broad) tissue (broad) PO_GIT:59 porci&#243n de un tejido vegetal (Spanish, exact) 植物組織の一部 (Japanese, exact) plant_anatomy plant tissue (related) PO:0009007 A portion of plant tissue may contain one or several types of cells that are organized in a specific spatial arrangement into a structural unit (which includes a mass of callus) and may include an intercellular matrix. May include other types of isolated cells, such as idioblasts. portion of plant tissue A multi-tissue plant structure (PO:0025496) that is a functional unit, is a proper part of a whole plant (PO:0000003), and includes portions of plant tissue (PO:0009007) of at least two different types that derive from a common developmental path. organ (broad) PO_GIT:55 &#243rgano vegetal (Spanish, exact) 植物 器官 (Japanese, exact) plant_anatomy compound plant organ (related) simple plant organ (related) PO:0009008 Examples include stem (PO:0009047), leaf (PO:0025034), and root (PO:0009005). May include individual plant cells (PO:0009002) that are not part of a portion of plant tissue (e.g., idioblasts, PO:0000283). A plant organ may have one or more different plant organs as parts, such as a sporophyll (PO:0009026) that may have as part a sporangium (PO:0025094) or a carpel (PO:0009030) that may have as part a plant ovule (PO:0020003). plant organ A whole plant (PO:0000003) that participates in the plant embryo stage (PO:0007631). embryo (broad) PO_GIT:92 embri&#243n (Spanish, exact) 植物胚 (Japanese, exact) plant_anatomy germ (related) PO:0009009 A plant embryo is generally formed after the first division of a plant zygote (PO:0000423), but in the case of a nucellar (adventitious) plant embryo (PO:0004537), somatic plant embryo (PO:0025302), microspore-derived cultured plant embryo (PO:0025305), and other embryos that arise through apogamy, it begins after the division of a single cell that is not a zygote. The end of the embryo stage varies among taxa; the beginning of a seed germination stage (PO:0007057) in seed plants, formation of the first vascular leaf (PO:0009025) in pteridophytes, the beginning of development of a sporangium (PO:0025094) in bryophytes, or the beginning of the formation of a plant organ (PO:0009008) such as a root (PO:0009005), shoot axis (PO:0025029), or vascular leaf (PO:0009025) in a cultured plant embryo (PO:0000010). plant embryo A multi-tissue plant structure (PO:0025496) that develops from a plant ovule (PO:0020003) and has as parts a plant embryo (PO:0009009) enclosed in a seed coat (PO:0009088). diaspore (broad) PO_GIT:405 semilla (Spanish, exact) 種子 (Japanese, exact) pyrene (narrow) plant_anatomy PO:0009010 A seed generally develops from an ovule (PO:0020003) after fertilization, but may develop without fertilization in the case of apogamy (e.g., adventitious embryos or somatic embryos). A seed is a reproductive unit of seed plants (gymnosperms, angiosperms, and fossil pteridosperms). seed A plant anatomical entity (PO:0025131) that is, or was, part of a plant, or was derived from a part of a plant. PO_GIT:57 estructura vegetal (Spanish, exact) 植物 構造 (Japanese, exact) plant_anatomy PO:0009011 'Part' includes both proper parts and the whole plant. CARO:0000003 'connected anatomical structure' is defined as: Material anatomical entity that is a single connected structure with inherent 3D shape, generated by coordinated expression of the organism's own genome. plant structure A plant anatomical entity (PO:0025131) that is, or was, part of a plant, or was derived from a part of a plant. CARO:0000003 POC:curators estructura vegetal (Spanish, exact) POC:Maria_Alejandra_Gandolfo 植物 構造 (Japanese, exact) NIG:Yukiko_Yamazaki 'Part' includes both proper parts and the whole plant. CARO:0000003 'connected anatomical structure' is defined as: Material anatomical entity that is a single connected structure with inherent 3D shape, generated by coordinated expression of the organism's own genome. PO:cooperl A stage in the life of a plant structure (PO:0009011) during which the plant structure undergoes developmental processes. PO:0007021 PO_GIT:185 etapa de desarrollo de estructura vegetal (Spanish, exact) plant growth and development stage (exact) plant_structure_development_stage Arabidopsis growth (related) PO:0009012 Refers to GO:0032502 'developmental process', which includes growth, differentiation, and senescence, and BFO:0000003 'ocurrent'. plant structure development stage A portion of plant tissue (PO:0009007) in which plant cells (PO:0009002) have retained their embryonic characteristics, or have reverted to them secondarily, and that divide to produce new cells that can undergo differentiation to form mature tissues, i.e. they have a capacity for morphogenesis and growth. PO_GIT:472 meristem (exact) meristema (Spanish, exact) meristematic tissue (exact) 分裂組織 (Japanese, exact) plant_anatomy PO:0009013 portion of meristem tissue A leaf (PO:0025034) in a vascular plant. PO_GIT:137 foliage leaf (exact) hoja vascular (Spanish, exact) leaf, vascular (exact) vascular leaves (exact, plural) 維管束のある葉, または維管束植物の葉 (Japanese, exact) ascidia (narrow) ascidium (narrow) fiddlehead (narrow) frond (narrow) needle-like leaf (narrow) pitcher (narrow) pitcher blade (narrow) pitcher-blade (narrow) scale-like leaf (narrow) sterile frond (narrow) trophophyll (narrow) plant_anatomy crozier (related) macrophyll (related) megaphyll (related) PO:0009025 Has vascular tissue. From APweb Glossary: In angiosperms, commonly thought of as one of the three basic parts of the seed plant body, a structure usually of determinate growth, without secondary thickening, and of superficial origin, often flattened and photosynthetic in part, and in the axil of which is found a bud. Occurs in the sporophytic phase of a plant life cycle. vascular leaf A determinate reproductive shoot system (PO:0025082) that has as part at least one carpel (PO:0009030) or at least one stamen (PO:0009029) and does not contain any other determinate shoot system (PO:0009006) as a part. PO:0004541 PO_GIT:160 PO_GIT:259 flor (Spanish, exact) 花 (Japanese, exact) Asteraceae floret (narrow) basal flower (narrow) double flower (narrow) hermaphrodite flower (narrow) monoclinous flower (narrow) perfect flower (narrow) plant_anatomy floret (related) PO:0009046 The characteristic reproductive structure of angiosperms. May have as part one or more petals, sepals or tepals. May contain one or more pistillode (PO:0009078), staminode (PO:0009077) or other aborted organs that don't show up in mature form. flower A reproductive shoot system (PO:0025082) that has as parts all of the shoot axes (PO:0025029) and flowers (PO:0009046; must have two or more) distal to the most distal leaf (PO:0009025). PO:0009048 PO:0009050 PO:0020088 PO:0020111 PO:0020112 PO:0020113 PO:0020114 PO:0020115 PO:0020116 PO:0020117 PO:0020118 PO:0020119 PO:0020120 PO_GIT:260 PO_GIT:71 inflorescencia (Spanish, exact) 花序 (Japanese, exact) Triticeae spike (narrow) plant_anatomy PO:0009049 An inflorescence is a reproductive shoot system from which at least two flowers develop. The growth pattern of an inflorescence may be monopodial (single main shoot axis), sympodial (growth only occurs from axillary meristems), or both. An inflorescence axis (PO:0020122) can be determinate or indeterminate. An inflorescence flower pedicel (PO:0009052) is the ultimate axis in an inflorescence. The flower (PO:0009046) of many plants, for example Magnolia spp., is solitary. inflorescence A collective phyllome structure (PO:0025023) composed all of the carpels (PO:0009030) in a flower (PO:0009046). PO:0006317 PO:0006357 PO:0006365 PO:0006384 PO:0006391 PO:0006394 PO:0006403 PO:0006404 PO:0006423 PO:0006424 PO:0006425 PO:0006426 PO:0025089 pistil (broad) PO_GIT:470 PO_GIT:71 PO_GIT:98 ginoecio (Spanish, exact) gynaecium (exact) gynoecia (exact, plural) 雌蕊群 (Japanese, exact) Poaceae gynoecium (narrow) Zea gynoecium (narrow) apocarpous gynoecium (narrow) gynoecium of ear floret (narrow) gynoecium of lower floret of pedicellate spikelet of ear (narrow) gynoecium of lower floret of pedicellate spikelet of tassel (narrow) gynoecium of lower floret of sessile spikelet of ear (narrow) gynoecium of lower floret of sessile spikelet of tassel (narrow) gynoecium of tassel floret (narrow) gynoecium of upper floret of pedicellate spikelet of ear (narrow) gynoecium of upper floret of pedicellate spikelet of tassel (narrow) gynoecium of upper floret of sessile spikelet of ear (narrow) gynoecium of upper floret of sessile spikelet of tassel (narrow) syncarpous gynoecium (narrow) plant_anatomy PO:0009062 If annotating gene expression to a gynoecium with a single carpel (PO:0009030), the annotation should go on carpel. A gynoecium with two or more carpels may be either syncarpous (carpels fused) or apopcarpous (carpels free) or the carpels may be partially fused. The word pistil is used synonymously with gynoecium for a synocarpous gynoecium, and synonymously with carpel for an apocarpous gynoecium, whether it has one or more carpels. In Zea mays, gynoecia of tassel florets and of the lower florets of ear spikelets usually do not develop fully, and they are present in a rudimentary state. If you are annotating to this structure for Zea mays or other grasses, please also add an annotation to the corresponding floret type. Choose the most specific term possible from: spikelet floret (PO:0009082), ear floret (PO:0006354), lower floret of pedicellate spikelet of ear (PO:0006353), lower floret of sessile spikelet of ear (PO:0006351), upper floret of pedicellate spikelet of ear (PO:0006350), upper floret of sessile spikelet of ear (PO:0006352), tassel floret (PO:0006310), lower floret of pedicellate spikelet of tassel (PO:0006313), lower floret of sessile spikelet of tassel (PO:0006315), upper floret of pedicellate spikelet of tassel (PO:0006314), upper floret of sessile spikelet of tassel (PO:0006316). gynoecium A plant organ (PO:0009008) that has as parts a nucellus (PO:0020020) in which a female gametophyte (PO:0025279) is located, one or two integuments (PO:0020021), and a funicle (PO:0020006). PO:0006457 PO:0006491 PO_GIT:464 PO_GIT:70 &#243vulo vegetal (Spanish, exact) 胚珠 (Japanese, exact) Poaceae ovule (narrow) Zea ovule (narrow) plant_anatomy PO:0020003 A seed (PO:0009010) develops from a plant ovule. In angiosperms, a plant ovule is part of a plant ovary (PO:0009072). In conifers, a plant ovule is part of an ovuliferous scale (add term). If you are annotating to this structure for Zea mays or other grasses, please also add an annotation to the corresponding floret type. Choose the most specific term possible from: spikelet floret (PO:0009082), ear floret (PO:0006354), upper floret of pedicellate spikelet of ear (PO:0006350), upper floret of sessile spikelet of ear (PO:0006352). plant ovule An embryo root (PO:0000045) that is the basal continuation of a hypocotyl (PO:0020100) in a plant embryo (PO:0009009) or a seedling (PO:0000003). PO_GIT:344 rad&#237cula (Spanish, exact) 幼根 (Japanese, exact) plant_anatomy PO:0020031 May develop into the primary root (PO:0020127) and eventually the root system (PO:0025025) of an adult plant. Sometimes abortive. radicle A root (PO:0009005) that develops directly from a seedling radicle (PO:0020127). PO:0020089 PO_GIT:161 ra&#237z primaria (Spanish, exact) tap root (exact) 一次根 (Japanese, exact) plant_anatomy PO:0020127 The first root of a plant. In dicots and gymnosperms it becomes the tap root, the central axis of a root system (PO:0025025). primary root A maximal portion of meristem tissue (PO:0009013) located at a shoot apex (PO:0000037) or root tip (PO:0000025). promeristem (broad) PO_GIT:579 AM (exact) meristema apical (Spanish, exact) 頂端分裂組織 (Japanese, exact) plant_anatomy primary meristem (related) PO:0020144 apical meristem A shoot system meristem (PO:0006079) formed at the apex of the shoot axis (PO:0025029), including those originating from an axillary bud meristem (PO:0000232). promeristem (broad) PO_GIT:472 SAM (exact) meristema apical del epiblasto (epiblastema) (Spanish, exact) 茎頂分裂組織 (Japanese, exact) plant_anatomy primary shoot meristem (related) PO:0020148 shoot apical meristem An axial plant organ (PO:0009008). rwalls 2010-07-01T03:44:41Z eje de la planta (Spanish, exact) plant axes (exact, plural) 植物軸（軸柱） (Japanese, exact) plant_anatomy PO:0025004 Includes roots and shoots. plant axis A collective plant structure (PO:0025497) that is a proper part of a whole plant (PO:0000003), and is composed of two or more adjacent plant organs (PO:0009008) and the associated portions of plant tissue (PO:0009007). rwalls 2010-02-09T04:12:11Z PO_GIT:63 estructura vegetal colectiva de &#243rgano (Spanish, exact) 集合植物器官構造 (Japanese, exact) plant_anatomy PO:0025007 Organs can be of the same type or different types. Examples include flower (PO:0009046), perianth (PO:0009058), and inflorescence (PO:0009049). See also collective organ part structure (PO:0025269), for plant structures composed of parts of multiple organs, but no complete plant organs. This was formerly named collective plant structure. collective plant organ structure A collective phyllome structure (PO:0025023) composed of two or more leaves (PO:0025034). rwalls 2010-04-21T12:29:35Z cycle (broad) verticil (broad) PO_GIT:98 estructura colectiva de hoja (Spanish, exact) leaf series (exact) 葉が集まった構造 (Japanese, exact) leaf whorl (narrow) rosette (narrow) plant_anatomy PO:0025022 This term replaces the obsolete term leaf whorl (PO:0008034). If you are looking for annotations for PO:0008034, please use this term instead. collective leaf structure A collective plant organ structure (PO:0025007) that consists of two or more phyllomes (PO:0006001) originating from the same node or from one or more adjacent nodes with compressed shoot internodes (PO:0005005). Laurel_Cooper 2010-04-28T11:04:34Z PO:0008033 cycle (broad) verticil (broad) PO_GIT:90 PO_GIT:99 estructura colectiva del filoma (Spanish, exact) 葉的器官が集まった構造 (Japanese, exact) floral whorl (narrow) whorl (narrow) plant_anatomy phyllome whorl (related) PO:0025023 collective phyllome structure A collective plant organ structure (PO:0025007) that produces root meristems (PO:0006085), the plant structures (PO:0009011) that arise from them and the parts thereof. rwalls 2010-07-01T02:11:26Z root (broad) PO_GIT:136 sistema de ra&#237z (Spanish, exact) 根系 (Japanese, exact) plant_anatomy PO:0025025 Generally the below ground portion of a vascular plant. root system A plant axis (PO:0025004) that is part of a shoot system (PO:0009006). rwalls 2010-07-01T03:46:35Z caullome (exact) eje del epiblasto (epiblastema) (Spanish, exact) シュート軸 (Japanese, exact) plant_anatomy shoot (related) PO:0025029 Often bears leaves and branches. In vascular plants, has at least one node and one internode. shoot axis A phyllome (PO:0006001) that is not associated with a reproductive structure. http://langual.org rwalls 2010-07-12T01:31:44Z PO_GIT:274 PO_GIT:301 http://www.langual.org/langual_thesaurus.asp?termid=C0200 hoja (Spanish, exact) 葉 (Japanese, exact) plant_anatomy PO:0025034 LanguaL definition: The flat or fleshy expanded blade (lamina) including a small and insignificant leafstalk but excluding a large and fleshy leafstalk such as celery stalks or rhubarb stalks. LanguaL curation note: If the part indexed consists of a large leafstalk and a leaf blade, use *PLANT ABOVE SURFACE, EXCLUDING FRUIT OR SEED*. Compare *STEM, STALK (WITHOUT LEAVES)*. leaf A shoot axis (PO:00025029) that develops from an axillary bud meristem (PO:0000232) or from equal divisions of a meristematic apical cell (PO:0030007). rwalls 2010-07-01T04:21:46Z PO_GIT:134 ramificaci&#243n (Spanish, exact) shoot axis branch (exact) 枝 (Japanese, exact) branchlet (narrow) higher order axis (narrow) secondary axis (narrow) tertiary axis (narrow) twig (narrow) plant_anatomy PO:0025073 In vascular plants, branches arise from an axillary bud meristem (PO:0000232) and from divisions of the meristematic apical cell (PO:0030007) in non-vascular plants. branch A shoot system (PO:0009006) in the sporophytic phase that has as part at least one sporangium (PO:0025094). rwalls 2010-09-17T09:49:10Z sistema de brote reproductivo (Spanish, exact) 生殖シュート 系、苗条系 (Japanese, exact) plant_anatomy PO:0025082 reproductive shoot system A bud that develops into a reproductive shoot system. rwalls 2010-09-17T01:52:05Z yema reproductiva (Spanish, exact) 生殖芽 (Japanese, exact) plant_anatomy PO:0025084 reproductive bud A plant structure (PO:0009011) that is part of an plant embryo (PO:0009009). rwalls 2010-11-05T01:36:24Z PO_GIT:245 PO_GIT:339 embryonic plant structure (exact) estructura vegetal embri&#243nica (Spanish, exact) 胚性植物構造 (Japanese, exact) plant_anatomy PO:0025099 Includes plant structures that only occur in embryos (such as suspensor) as well as plant structures that are part of an embryo when a plant is in the embryonic phase (such as embryonic radicle). embryo plant structure A portion of meristem tissue (PO:0009013) that has as parts protoderm (PO:0006210) and sub-epidermal meristematic tissue and is committed to the development of a particular plant structure (PO:0009011). rwalls 2010-11-15T09:10:22Z PO_GIT:186 portion of primordial tissue (exact) portion of primordium tissue (exact) primordia (exact, plural) primordio (Spanish, exact) 原基（可視的） (Japanese, exact) plant_anatomy PO:0025127 A primordium appears as a protrusion and is the first distinct form of a plant organ (PO:0009008), cardinal organ part (PO:0025001), or collective plant organ structure (PO:0025007). The transition from a primordium to the plant structure it develops into is marked by the development of non-meristematic cells, although meristematic cells may be present after the transition. primordium A primordium (PO:0025127) that develops from a phyllome anlagen (PO:0025430) and is part of a shoot apex (PO:0000037) and is committed to the development of a phyllome (PO:0006001). rwalls 2010-11-15T09:27:11Z PO_GIT:466 phyllome primordia (exact, plural) portion of phyllome primordium tissue (exact) primordio del filoma (Spanish, exact) フィロム原基（可視的） (Japanese, exact) plant_anatomy PO:0025128 The transition from phyllome primordium to phyllome occurs when the first non-meristematic tissue develops begins to develop. phyllome primordium An anatomical entity that is or was part of a plant. rwalls 2010-11-15T11:41:38Z PO_GIT:224 entidad anat&#243mica vegetal (Spanish, exact) 植物 解剖学（形態）的実体 (Japanese, exact) plant_anatomy PO:0025131 Includes both material entities such as plant structures and immaterial entities such as plant anatomical spaces. CARO:0000000 'anatomical entity' is defined as: A part of a cellular organism that is either an immaterial entity or a material entity with granularity aboove the level of a protein complex. Or, a substance produced by a cellular organism with granularity above the level of a protein complex. Refers to BFO:0000004 'independent continuant'. plant anatomical entity cjm An anatomical entity that is or was part of a plant. BFO:0000004 CARO:0000000 POC:curators entidad anat&#243mica vegetal (Spanish, exact) POC:Maria_Alejandra_Gandolfo 植物 解剖学（形態）的実体 (Japanese, exact) NIG:Yukiko_Yamazaki Includes both material entities such as plant structures and immaterial entities such as plant anatomical spaces. CARO:0000000 'anatomical entity' is defined as: A part of a cellular organism that is either an immaterial entity or a material entity with granularity aboove the level of a protein complex. Or, a substance produced by a cellular organism with granularity above the level of a protein complex. Refers to BFO:0000004 'independent continuant'. CAROC:Brownsville2014 A shoot apex that has as part a reproductive shoot apical meristem. rwalls 2010-12-20T08:47:03Z &#225pice reproductivo del epiblasto (epiblastema) (Spanish, exact) 生殖シュート頂、茎頂 (Japanese, exact) plant_anatomy PO:0025222 reproductive shoot apex A shoot apex PO:0000037) that has as part a vegetative shoot apical meristem (PO:0008016). rwalls 2010-12-20T08:47:03Z PO_GIT:234 &#225pice vegetativo del epiblasto (epiblastema) (Spanish, exact) 栄養シュート頂、栄養枝頂 (Japanese, exact) plant_anatomy PO:0025223 vegetative shoot apex A portion of plant tissue (PO:0009007) that is part of a plant embryo (PO:0009009). rwalls 2010-12-20T12:27:10Z portion of embryo tissue (broad) PO_GIT:338 portion of embryonic plant tissue (exact) tejido embri&#243nico vegetal (Spanish, exact) 植物胚性組織 の一部 (Japanese, exact) plant_anatomy PO:0025233 This class is for tissues that only occur as part of an embryo. portion of embryo plant tissue A radicle (PO:0020031) that is part of a plant embryo (PO:0009009). rwalls 2011-04-25T10:41:14Z PO_GIT:344 embryonic radicle (exact) rad&#237cula del embri&#243n (Spanish, exact) 胚幼根 (Japanese, exact) plant_anatomy PO:0025296 May eventually develop into the root system (PO:0025025) of an adult plant. Sometimes is abortive. plant embryo radicle A radicle (PO:0020031) that is part of a whole plant (PO:0000003) in the seedling development stage (PO:0007131). rwalls 2011-04-25T10:41:48Z PO_GIT:344 rad&#237cula de la pl&#225ntula (Spanish, exact) 実生幼根 (Japanese, exact) plant_anatomy PO:0025297 Develops from an embryo radicle (PO:0025296). May develop into the root system (PO:0025025) of an adult plant. Sometimes is abortive. seedling radicle A maximal whole plant development stage. rwalls 2011-10-19T10:54:37Z PO_GIT:230 vida de la planta entera (Spanish, exact) 植物体の一生 (Japanese, exact) plant_structure_development_stage PO:0025337 There are only two types of life of whole plant. Every life of a whole plant is either a maximal gametophyte stage or a maximal sporophyte stage. life of whole plant stage A plant structure development stage (PO:0009012) that has as primary participant a collective plant structure (PO:0025497). rwalls 2011-10-19T11:12:49Z PO_GIT:391 etapa de desarrollo de una estructura colectiva de la planta (Spanish, exact) 集合的植物構造の発生過程 (Japanese, exact) plant_structure_development_stage PO:0025338 Includes flower development stage (PO:0007615), corolla development stage (PO:0007604), and inflorescence development stage (PO:0001083). collective plant organ structure development stage A short, enlarged shoot system (PO:0009006) that has as parts a short stem (PO:0009047) in which the shoot internodes (PO:0005005) do not elongate, and one or more buds (PO:0000055) enclosed by fleshy leaves (PO:0009025) or leaf bases (PO:0020040). rwalls 2011-11-16T03:39:15Z diaspore (broad) PO_GIT:173 bulbo (Spanish, exact) 球根、鱗茎 (Japanese, exact) bulblet (narrow) plant_anatomy PO:0025356 May serve as a storage and/or perennating organ. Usually underground. A bulb differs from a corm (PO:0025355) by having fleshy leaves or leaf bases. The outer leaves of a bulb are often dry and membranous, rather than fleshy. May bear adventitious roots. Examples include Alium and Tulipa. Not the same structure as a bulbil. bulb A plant organ (PO:0009008) that is part of a flower (PO:0009046). rwalls 2012-01-19T11:44:36Z PO_GIT:423 &#243rgano floral (Spanish, exact) flower organ (exact) 花器官 (Japanese, exact) plant_anatomy PO:0025395 Includes phyllomes such as anthers and petals, as well as shoot axes such as androphores and gynophores. floral organ A portion of meristem tissue (PO:0009013) that is part of a peripheral zone (PO:0000225) of a shoot apical meristem (PO:0020148) and will give rise to a phyllome primordium (PO:0025128). Laurel_Cooper 2012-02-07T08:20:10Z phyllome meristem (broad) PO_GIT:427 フィロム原基 (Japanese, exact) plant_anatomy PO:0025430 The phyllome anlagen is only detectable by gene expression, not morphology. phyllome anlagen A phyllome anlagen (PO:0025430) that will give rise to a vascular leaf primordium (PO:0000017) and is part of a peripheral zone (PO:0000225) of a shoot apical meristem (PO:0020148). Laurel_Cooper 2012-02-07T08:40:37Z leaf meristem (broad) PO_GIT:407 維管束系葉原基 (Japanese, exact) plant_anatomy PO:0025431 This is the region where you have the maximum concentration of auxin in the SAM (at least in a few species that have been studied). vascular leaf anlagen A portion of meristem tissue (PO:0009013) that is committed to the development of a root primordium (PO:0005029). Laurel_Cooper 2012-02-08T01:00:56Z PO_GIT:427 precursor de ra&#237 (Spanish, exact) 根原基 (Japanese, exact) plant_anatomy PO:0025433 Only detectable by gene expression, not morphology. May arise in a pericycle (PO:0006203), as for lateral roots in most seed plants, an endodermis (PO:0000252), as for lateral roots in ferns, or from parenchyma cells (PO:0000074) that are part a shoot axis (PO:0025029), in the case of a basal root (PO:0025002) or shoot-borne root (PO:0000042). root anlagen A root (PO:0009005) that develops from a tuberous root (PO:0025523) and is further radially enlarged for storage. rwalls 2012-04-26T02:09:03Z PO_GIT:47 ra&#237z tubercular (Spanish, exact) root tuber (exact) storage root (exact) 塊茎根の塊茎(Japanese, exact) plant_anatomy tuber root (related) PO:0025476 Functions in storage. This term should be used for tubers derived from roots (PO:0009005), as found in Cassava or sweet potato (Ipomoea batatas), not for tubers derived from branches (PO:0025073), as found in potatoes and yams. Use the term shoot axis tuber (PO:0004543), aerial tuber (PO:0004548), or subterranean tuber (PO:0004547) for tubers derived from branches. A tuberous root tuber may be distinguished from a tuber that is derived from a branch by the presence of a root cap (PO:0020123) early in development, or the presence of lateral roots (PO:0020121) or their remnants. Sometimes tuber roots bear vegetative buds (PO:0000058) like a tuber derived from a branch. A tuberous root tuber usually develops from a shoot-borne root (PO:0000042) or a lateral root (PO:0020121). tuberous root tuber A primordium (PO:0025127) that is committed to the development of a floral organ (PO:0025395) and is part of a reproductive shoot apex (PO:0025222). rwalls 2012-04-26T03:57:09Z PO_GIT:465 floral structure primordia (exact, plural) portion of floral structure primordium tissue (exact) primordio de organo floral (Spanish, exact) 花器官原基 (Japanese, exact) plant_anatomy PO:0025477 If annotating to a primordium of a floral structure, it is better to use the more specific term, such as petal primordium (PO:0000021) or anther primordium (PO:0006089). floral organ primordium A plant structure (PO:0009011) that has as parts two or more portions of plant tissue (PO:0009007) of at least two different types and which through specific morphogenetic processes forms a single structural unit demarcated by primarily bona-fide boundaries from other structural units of different types. Laurel_Cooper 2012-06-11T14:57:00Z PO_GIT:480 estructura vegetal con m&#250ltiples tejidos (Spanish, exact) 複数の組織からなる植物構造 (Japanese, exact) plant_anatomy PO:0025496 Most multi-tissue plant structures have at least a small connection to other plant structures via a fiat boundary, such as where a leaf (PO:0025034) connects to a shoot axis (PO:0025029), a petal (PO:0009032) connects to a receptacle (PO:0009064), or a branch (PO:0025073) connects to a stem (PO:0009047). Refers to CARO:0000055 multi-tissue structure, def'n: Anatomical structure that has as parts two or more portions of tissue of at least two different types, and which through specific morphogenetic processes, form a single distinct structural unit demarcated by bona-fide boundries from other structural units of differnt types. multi-tissue plant structure A plant structure (PO:0009011) that is a proper part of a whole plant (PO:0000003) and includes two or more adjacent plant organs (PO:0009008) or adjacent cardinal organ parts (PO:0025001), along with any associated portions of plant tissue (PO:0009007). Laurel_Cooper 2012-06-11T15:09:20Z PO_GIT:479 estructura vegetal colectiva (Spanish, exact) 集合的植物構造 (Japanese, exact) plant_anatomy PO:0025497 This is a parent term to describe both collective organ part structure (PO:0025269) (e.g. septum), as well as collective plant organ structure (PO:0025007) (which was formerly named collective plant structure), for example shoot system (PO:0009006). collective plant structure A plant axis (PO:0025004) that is radially enlarged. Laurel_Cooper 2012-11-20T18:35:45Z PO_GIT:127 塊茎 (Japanese, exact) plant_anatomy PO:0025522 Functions in storage of photosynthate metabolites. May develop from a branch (PO:0025073) or a root (PO:0009005). If you are annotating to tuber, you should pick the more specific child term: shoot axis tuber (PO:0004543) or tuberous root tuber (PO:0025476). tuber A root (PO:0009005) that is radially enlarged relative to other lateral roots (PO:0020121) or shoot-borne roots (PO:0000042) on the same plant, but not as enlarged as a tuberous root tuber (PO:0025476). Laurel_Cooper 2012-11-20T18:47:23Z PO_GIT:47 raiz tuberosa (Spanish, exact) 塊茎根 (Japanese, exact) plant_anatomy PO:0025523 tuberous root A collective plant organ structure development stage (PO:0025338) that begins with the onset of the plant organ development stage (PO:0025339) and ends with either gametophyte senescent stage (PO:0025343) or sporophyte senescent stage (PO:0007017) or death. Laurel_Cooper 2012-12-13T18:21:19Z PO_GIT:517 plant_structure_development_stage PO:0025527 The shoot system (PO:0009006) develops fron the shoot apical meristem (PO:0020148) in the plant embryo (PO:0009009) in vascular plants. In lower plants the gametophore (PO:0030018) arises from a gametophore meristematic apical cell (PO:0030019) in the protonema (PO:0030003). shoot system development stage A shoot system development stage (PO:0025527) that has as primary participant a bud (PO:0009006). Laurel_Cooper 2012-12-13T18:29:35Z PO_GIT:517 plant_structure_development_stage PO:0025528 bud development stage A shoot system development stage (PO:0025527) that has as primary participant a reproductive shoot system (PO:0025082). Laurel_Cooper 2012-12-13T19:01:14Z PO_GIT:517 plant_structure_development_stage PO:0025530 reproductive shoot system development stage A plant cell (PO:0009002) that is either part of a multicellular whole plant (PO:0000003) 'in vivo' or a unicellular organism 'in natura' (i.e. part of a natural environment). Laurel_Cooper 2014-05-13T16:51:47Z PO_GIT:586 plant_anatomy PO:0025606 A native plant cell is one that is not grown or maintained in vitro, nor part of an in vitro plant structure (PO:0000004). native plant cell A collective leaf structure (PO:0025022) consisting of a group of rosette leaves (PO:0000014), generally borne at the base of the plant, that are separated by very short stem internodes (PO:0020142). meiera 2015-09-23T15:41:20Z PO_GIT:302 PO_GIT:603 plant_anatomy PO:0025615 rosette A whole plant development stage (PO:0007033) that has as primary participant a whole plant (PO:0000003) during the interval between fertilization (or apogamy) and death. rwalls 2010-07-15T02:56:11Z PO_GIT:139 PO_GIT:68 fase esporof&#237tica (Spanish, exact) sporophytic development stage (exact) sporophytic phase (exact) sporphyte phase (exact) 胞子体発生過程 (Japanese, exact) plant_structure_development_stage PO:0028002 A whole plant (PO:0000003) in the sporophyte development stage usually has twice the chromosome complement of a plant in the gametophytic phase, but may not in the case of apogamy. Examples of apogamy include both naturally occurring instances (such as sporophytes arising form haploid cells as in bryophytes or ferns) as well as in vitro instances (such as haploid embryo culture or in vitro fusion of non-gamete cells or protoplasts). During the sporophyte development stage, a plant may produce meiospores by meiosis. sporophyte development stage A fruit (PO:0009001) which develops from a carpel (PO:0009030) and at maturity comprises a dry exocarp (PO:0009085), dry mesocarp (PO:0009087), and dry endocarp (PO:0009086) that dehisce along two fruit valves (PO:0000033). dehiscent fruit (broad) pod (broad) PO_GIT:645 hülse (exact, German) legumbre (exact, Spanish) legume (exact) plant_anatomy PO:0030100 Legume fruit (PO:0030100) is characteristic of the plant family Fabaceae. Examples: pigeon pea (Cajanus cajan), chickpea (Cicer arietinum), peanut (Arachis hypogaea), soybean (Glycine max), and lentil (Lens culinaris subsp. culinaris). legume fruit A fruit (PO:0009001) which develops from a gynoecium (PO:0009062) and at maturity comprises a dry exocarp (PO:0009085), dry mesocarp (PO:0009087), and dry endocarp (PO:0009086) that are not fused to a seed coat (PO:0009088). indehiscent fruit (broad) PO_GIT:646 glandes (exact) glans (exact) nuez (exact, Spanish) nut (exact) nutlet (exact) nuß (exact, German) acorn (narrow) plant_anatomy PO:0030102 The common names of some species do not accurately reflect their fruit type. For example, the fruit (PO:0009001) of the peanut plant is a legume fruit (PO:0030100) rather than a nut fruit (PO:0030102). Example: pecan (Carya illinoinensis), walnut (Juglans regia), pistachio (Pistacia vera), lotus (Nelumbo nucifera), and acorn (Quercus spp.). nut fruit A fruit (PO:0009001) which develops from a carpel (PO:0009030) and at maturity comprises a fleshy exocarp (PO:0009085), fleshy mesocarp (PO:0009087), and a stony endocarp (PO:0009086). indehiscent fruit (broad) PO_GIT:647 drupa (exact, Spanish) drupe (exact) steinfrucht (exact, German) stone fruit (exact) whole pit fruit plant_anatomy PO:0030103 May develop from an inferior or superior carpel (PO:0009030) and may contain one or more seeds (PO:0009010). Examples: Amborella trichopoda (basal angiosperm), coffee (Coffea canephora), Cornaceae (Davidia spp.), cashew (Anacardium occidentale), coconut (Cocos nucifera), and almond, peach and plum (Prunus spp.). drupe fruit A fruit (PO:0009001) which develops from a gynoecium (PO:0009062) and at maturity comprises a dry exocarp (PO:0009085), dry mesocarp (PO:0009087), and dry endocarp (PO:0009086) that are fused to a seed coat (PO:0009088). indehiscent fruit (broad) PO_GIT:648 brown rice (exact) cariopse (exact, Spanish) cariópside (exact, Spanish) caryopse (exact, German) caryopsides (exact) caryopsis (exact) cereal (exact) dehulled grain (exact) dehulled kernel (exact) grain (exact) kernel (exact) polished rice (exact) plant_anatomy PO:0030104 Caryopsis fruit (PO:0030104) is characteristic of the Poaceae (the grass family). Caryopsis fruits develop from a pseudomonomerous gyneocium (PO:0009062), and contain only a single seed due to the abortion of two of the three carpels (PO:0009030). The pericarp of caryopsis fruits of some bamboo species is somewhat fleshy at maturity and is fused to the seed coat; these fruits are referred to in the literature as bacoid caryopses. Examples: barley (Hordeum vulgare), rice (Oryza spp.), wheat (Triticum spp.), corn (Zea mays), sorghum (Sorghum bicolor), oat (Avena spp.), zebra grass (Miscanthus spp.), Tausch’s goatgrass (Aegilops tauschii), stiff brome (Brachypodium distachyon), cutgrass (Leersia perrieri), and foxtail millet (Setaria italica). caryopsis fruit A fruit (PO:0009001) which at maturity comprises a fleshy endocarp (PO:0009086), fleshy mesocarp (PO:0009087), and fleshy exocarp (PO:0009085). indehiscent fruit (broad) PO_GIT:652 bacca (exact) baya (exact, Spanish) beere (exact, German) berry (exact) pyrine (narrow) plant_anatomy PO:0030108 Examples: pepper (Capsicum annuum), papaya (Carica papaya), avocado (Persea americana), may apple (Podophyllum peltatum), date palm (Phoenix dactylifera), tomato (Solanum lycopersicum), potato (Solanum tuberosum), chocolate (Theobroma cacao), blueberry (Vaccinium spp.), and grape (Vitis vinifera). berry fruit A berry fruit (PO:0030108) which develops from a superior gynoecium (PO:0009062) and at maturity comprises a thickened exocarp (PO:0009085), thickened mesocarp (PO:0009087), and endocarp (PO:0009086), and has as parts juice sacs (PO:0006013) on a carpel adaxial epidermis (PO:0025618). indehiscent fruit (broad) panzerbeere (broad, German) PO_GIT:652 citrus fruit (exact) hesperide (exact, German) hesperidio (exact, Spanish) hesperidium (exact) plant_anatomy PO:0030109 A hesperidium fruit (PO:0030109) develops from a superior gynoecium (PO:0009062), and therefore is not surrounded by receptacle (PO:0009064) tissue. Examples: orange, grapefruit, lemon, and lime (Citrus spp.). hesperidium fruit A berry fruit (PO:0030108) which develops from an inferior gynoecium (PO:0009062) and at maturity comprises a fleshy exocarp (PO:0009085), fleshy mesocarp (PO:0009087), and hardened endocarp (PO:0009086) and has as a part a fleshy hypanthium (PO:0009065) which is indistinct from the exocarp (PO:0009085). indehiscent fruit (broad) PO_GIT:652 apfelfrucht (exact, German) kernfrucht (exact, German) kernobst (exact, German) pome (exact) pomo (exact, Spanish) plant_anatomy PO:0030110 A pome fruit (PO:0030110) is a specialized type of berry fruit (PO:0030108) which is encapsuled in persistent, accrescent receptacle (PO:0009064) and/or hypanthium (PO:0009065) tissue. Examples: Apple, crab apple, and pear (Malus spp. and Pyrus spp.) pome fruit A berry fruit (PO:0030108) which develops from an inferior carpel (PO:0009030) and at maturity comprises a fleshy exocarp (PO:0009085), fleshy mesocarp (PO:0009087), and fleshy endocarp (PO:0009086), and has as a part a hard receptacle (PO:0009064) which surrounds, and is indistinct from, the exocarp (PO:0009085). indehiscent fruit (broad) panzerbeere (broad, German) (broad) PO_GIT:652 kürbisfrucht (exact, German) pepo (exact) pepónide (exact, Spanish) plant_anatomy PO:0030111 A pepo fruit (PO:0030111) is specialized type of berry fruit (PO:0030108) which is encapsuled by persistent, accrescent receptacle (PO:0009064) tissue. The rind, or tough outer covering, of pepo fruits comprises receptical tissue and at least the exocarp (PO:0009085) layer of the pericarp (PO:0009084). Examples: pumpkin (Cucurbita pepo), cucumber (Cucumis sativus), and watermelon (Citrullus lanatus) and banana (Musa acuminata). pepo fruit An inflorescence (PO:0009049) with a monopodial growth habit, which at flowering stage (PO:0007616), is composed of pedicellate flowers (PO:0009046) on an indeterminate, first order inflorescence axis (PO:0025104). NYBG:Brandon_Sinn 2017-04-20T12:29:10Z raceme (exact) plant_anatomy PO:0030115 Examples include mouse-ear cress (Arabidopsis thaliana, Brassicaceae), wild black cherry (Prunus serotina, Rosaceae), and pokeweeds (Phytolacca spp., Phytolaccaceae). raceme inflorescence An amino acid chain that is produced de novo by ribosome-mediated translation of a genetically-encoded mRNA, and any derivatives thereof. natural protein native protein protein PR:000000001 The definition above excludes protein complexes, which some also consider a protein. Those who wish to refer to a class representing both senses of the word are directed to CHEBI:36080. Note that the definition allows for experimentally-manipulated genes, and allows for artifically-produced derivatives that mimic those found naturally. Proteins (in the sense defined here) that descended from a common ancestor can be classified into families and superfamilies composed of products of evolutionarily-related genes. The domain architecture of a protein is described by the order of its constituent domains. Proteins with the same domains in the same order are defined as homeomorphic [PRO:WCB]. protein An amino acid chain that is produced de novo by ribosome-mediated translation of a genetically-encoded mRNA, and any derivatives thereof. PRO:DAN PRO:WCB natural protein PRO:DAN native protein IEDB:BP An organic amino compound that consists of amino acid residues (unmodified amino-acid residues and/or modified amino-acid residues) linked by peptide bonds or derivatives of such bonds. peptide polypeptide protein PR:000018263 Category=external. amino acid chain An organic amino compound that consists of amino acid residues (unmodified amino-acid residues and/or modified amino-acid residues) linked by peptide bonds or derivatives of such bonds. PRO:DAN PRO:JSG peptide PRO:DAN polypeptide PRO:DAN A protein that is encoded in the genome of Homo sapiens. human protein protein PR:000029067 Homo sapiens protein A protein that is encoded in the genome of Homo sapiens. PRO:DAN human protein PRO:DAN A protein that is encoded in the genome of some Eukaryota. Eukaryota protein protein PR:000036194 eukaryotic protein A protein that is encoded in the genome of some Eukaryota. PRO:DAN Eukaryota protein PRO:DAN An exposure event in which a human is exposed to particulate matter in the air. Here the exposure stimulus/stress is the particulate matter, the receptor is the airways and lungs of the human, An exposure event in which a plant is provided with fertilizer. The exposure receptor is the root system of the plant, the stimulus is the fertilizing chemical, the route is via the soil, possibly mediated by symbotic microbes. A process occurring within or in the vicinity of an organism that exerts some causal influence on the organism via the interaction between an exposure stimulus and an exposure receptor. The exposure stimulus may be a process, material entity or condition (for example, lack of nutrients). The exposure receptor can be an organism, organism population or a part of an organism. This class is intended as a grouping for various domain and species-specific exposure classes. The ExO class http://purl.obolibrary.org/obo/ExO_0000002 'exposure event' assumes that all exposures involve stressors, which limits the applicability of this class to 'positive' exposures, e.g. exposing a plant to beneficial growing conditions. Chris Mungall cjm 2017-06-05T17:55:39Z exposure event or process https://github.com/oborel/obo-relations/pull/173 A material entity consisting of multiple components that are causally integrated. May be replaced by a BFO class, as discussed in http://www.jbiomedsem.com/content/4/1/43 Chris Mungall http://www.jbiomedsem.com/content/4/1/43 system Any hollow cylindrical anatomical structure containing a lumen through which substances are transported. anatomical tube duct tube A tubular structure that contains, conveys body fluid, such as blood or lymph. vessel Organ component adjacent to an organ cavity and which consists of a maximal aggregate of organ component layers. wall wall of organ organ wall anatomical wall Material anatomical entity that is a single connected structure with inherent 3D shape generated by coordinated expression of the organism's own genome. biological structure connected biological structure anatomical structure Anatomical structure that performs a specific function or group of functions [WP]. anatomical unit body organ element organ A multicellular structure that is a part of an organ. cardinal organ part regional part of organ organ part Anatomical cluster consisting of the skeletal elements and articular elements that are part of an individual subdivision of the organism. skeletal system subdivision skeletal system part subdivision of skeletal system The surface (external) layer of ectoderm which begins to proliferate shortly after separation from the neuroectoderm. surface (external) ectoderm surface ectoderm external ectoderm Amniotic fluid is a bodily fluid consisting of watery liquid surrounding and cushioning a growing fetus within the amnion. It allows the fetus to move freely without the walls of the uterus being too tight against its body. Buoyancy is also provided. The composition of the fluid changes over the course of gestation. Initially, amniotic fluid is similar to maternal plasma, mainly water with electrolytes. As the fetus develops, proteins, carbohydrates, lipids, phospholipids originating from the lungs, fetal cells, and urea are deposited in the fluid. acqua amnii liquor amnii amniotic fluid A portion of organism substance that is the product of an excretion process that will be eliminated from the body. An excretion process is elimination by an organism of the waste products that arise as a result of metabolic activity. excreted substance portion of excreted substance waste substance excretion excreta A fluid that is composed of blood plasma and erythrocytes. portion of blood vertebrate blood whole blood blood Circulating fluid that is part of the hemolymphoid system. Blood, lymph, interstitial fluid or its analogs. blood or blood analog circulating fluid haemolymphatic fluid Organism at the blastula stage - an early stage of embryonic development in animals. It is produced by cleavage of a fertilized ovum and consists of a spherical layer of around 128 cells surrounding a central fluid-filled cavity called the blastocoel. The blastula follows the morula and precedes the gastrula in the developmental sequence. blastula embryo blastosphere blastula The subdivision of the musculoskeletal system that consists of all the muscles of the body[VSAO, modified]. muscle system muscle system of body muscular system musculature system set of all muscles set of muscles of body vertebrate muscular system muskelsystem musculature of body A portion of organism substance that is produced by exocrine glands. secretion bodily secretion exocrine gland fluid/secretion secreted substance exocrine gland fluid exocrine gland fluid or secretion exocrine gland secretion external secretion secretion of exocrine gland Material anatomical entity in a gaseous, liquid, semisolid or solid state; produced by anatomical structures or derived from inhaled and ingested substances that have been modified by anatomical structures as they pass through the body. Material anatomical entity in a gaseous, liquid, semisolid or solid state; produced by anatomical structures or derived from inhaled and ingested substances that have been modified by anatomical structures as they pass through the body. body fluid or substance body substance organism substance portion of body substance portion of organism substance organism substance organism substance Non-material anatomical entity of three dimensions, that is generated by morphogenetic or other physiologic processes; is surrounded by one or more anatomical structures; contains one or more organism substances or anatomical structures. lumen space lumen space anatomical spaces anatomical space Anatomical entity that has mass. material anatomical entity Anatomical entity that has no mass. immaterial physical anatomical entity immaterial anatomical entity Multicellular, connected anatomical structure that has multiple organs as parts and whose parts work together to achieve some shared function. system body system connected anatomical system organ system anatomical systems anatomical system Anatomical structure that is an individual member of a species and consists of more than one cell. organism multi-cellular organism Koerper body whole body whole organism multicellular organism Anatomical structure which is a subdivision of a whole organism, consisting of components of multiple anatomical systems, largely surrounded by a contiguous region of integument. anatomic region body part body region cardinal body part organism subdivision Anatomical structure that consists of cell parts and cell substances and together does not constitute a cell or a tissue. acellular anatomical structures acellular anatomical structure Anatomical group that has its parts adjacent to one another. anatomical cluster A multicellular anatomical structure that is associated with an embryo and derived from the zygote from which it develops, but which does not contribute to the embryo proper or to structures that are part of the same organism after embryogenesis. extra-embryonic structure extraembryonic structures extraembryonic tissue extraembryonic structure Multicellular anatomical structure that consists of many cells of one or a few types, arranged in an extracellular matrix such that their long-range organisation is at least partly a repetition of their short-range organisation. portion of tissue tissue portion simple tissue tissue Anatomical structure that has as its parts two or more portions of tissue of at least two different types and which through specific morphogenetic processes forms a single distinct structural unit demarcated by bona-fide boundaries from other distinct structural units of different types. multi-tissue structures multi-tissue structure Portion of tissue, that consists of one or more layers of epithelial cells connected to each other by cell junctions and which is underlain by a basal lamina. Examples: simple squamous epithelium, glandular cuboidal epithelium, transitional epithelium, myoepithelium[CARO]. epithelial tissue portion of epithelium epithelium Epithelium which consists of more than one layer of epithelial cells that may or may not be in contact with a basement membrane. Examples: keratinized stratified squamous epithelium, ciliated stratified columnar epithelium.[FMA]. stratified epithelium laminated epithelium multilaminar epithelium Epithelium which consists of a single layer of epithelial cells. Examples: endothelium, mesothelium, glandular squamous epithelium.[FMA]. simple epithelium unilaminar epithelia unilaminar epithelium Subdivision of trunk that lies between the head and the abdomen. thorax anterior subdivision of trunk upper body upper trunk thoracic segment of trunk Anatomical entity that comprises the organism in the early stages of growth and differentiation that are characterized by cleavage, the laying down of fundamental tissues, and the formation of primitive organs and organ systems. For example, for mammals, the process would begin with zygote formation and end with birth. For insects, the process would begin at zygote formation and end with larval hatching. For plant zygotic embryos, this would be from zygote formation to the end of seed dormancy. For plant vegetative embryos, this would be from the initial determination of the cell or group of cells to form an embryo until the point when the embryo becomes independent of the parent plant. embryonic organism developing organism developmental tissue embryo A layer of cells produced during the process of gastrulation during the early development of the animal embryo, which is distinct from other such layers of cells, as an early step of cell differentiation. The three types of germ layers are the endoderm, ectoderm, and mesoderm. embryonic tissue germinal layer primary germ layer embryonic germ layer embryonic germ layers germ layer Primary germ layer that is the outer of the embryo's three germ layers and gives rise to epidermis and neural tissue. embryonic ectoderm ectoderm The middle germ layer of the embryo, between the endoderm and ectoderm. embryonic mesoderm entire mesoderm mesodermal mantle mesoderm A myogenic muscular circulatory organ found in the vertebrate cardiovascular system composed of chambers of cardiac muscle. It is the primary circulatory organ. chambered heart vertebrate heart branchial heart cardium heart Anatomical cluster that consists of two or more adjacent skeletal structures, which may be interconnected by various types of tissue[VSAO]. articulation joint articular joint joints skeletal joint Organ system that passes nutrients (such as amino acids and electrolytes), gases, hormones, blood cells, etc. to and from cells in the body to help fight diseases and help stabilize body temperature and pH to maintain homeostasis[WP]. systema cardiovasculare circulatory system A subdivision of the muscular system corresponding to a subdisivision of an organism. muscle group muscles set musculature musculi set of muscles set of skeletal muscles muscle system muscles musculature system musculature Primordia are populations of contiguous cells that are morphologically distinct and already correspond in extent to a later organ/tissue[FBbt, Hartenstein, V. (2004)]. bud future organ placode primordia rudiment primordium Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species. AAO:0010841 AEO:0000000 BILA:0000000 BIRNLEX:6 CARO:0000000 EHDAA2:0002229 FBbt:10000000 FMA:62955 HAO:0000000 MA:0000001 NCIT:C12219 TAO:0100000 TGMA:0001822 UMLS:C1515976 WBbt:0000100 XAO:0000000 ZFA:0100000 uberon UBERON:0001062 anatomical entity Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species. FMA:62955 UMLS:C1515976 ncithesaurus:Anatomic_Structure_System_or_Substance Secretion produced by a sweat gland. skin exudate sweat Anatomical system that is a multi-element, multi-tissue anatomical cluster that consists of the skeleton and the articular system. skeleton system set of all bones and joints Skelettsystem skeletal system Organ consisting of a tissue made up of various elongated cells that are specialized to contract and thus to produce movement and mechanical work[GO]. muscle muscle organ A specialized accessory gland of the skin of mammals that secretes milk. The gland is typically only developed in females, and regresses in males. glandula mammaria lactiferous gland mammary gland An emulsion of fat globules within a fluid that is secreted by the mammary gland during lactation. http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0235 mammal milk mammary gland milk LanguaL curation note: See scope note for *MILK OR MILK COMPONENT*. for lowfat milk use *FAT PARTIALLY REMOVED*; for skim milk, use *FAT FULLY REMOVED* (both found in D3. TREATMENT APPLIED). milk The liquid component of blood, in which erythrocytes are suspended. plasma portion of plasma blood plasm portion of blood plasma blood plasma Vital aqueous secretion of the liver that is formed by hepatocytes and modified down stream by absorptive and secretory properties of the bile duct epithelium. fel gall bile A vessel through which blood circulates in the body. vascular element region of vascular tree organ vascular tree organ region vas sanguineum blood vessel Portion of semisolid bodily waste discharged through the anus[MW,modified]. excreta faeces fecal material fecal matter piece of shit portion of excrement portion of faeces portion of fecal material portion of fecal matter portion of feces portionem cacas stool cow dung cow pat dung fewmet frass guano portion of dung portion of guano portion of scat scat spraint droppings excrement ordure spoor feces An interconnected tubular multi-tissue structure contains fluid that is actively transported around the organism[ZFA]. Examples: vasculature of lung, vasculature of face. vascular network vasculature Anatomical structure that is part of an embryo. developing embryonic structure embryonic anatomical structure developing structure embryonale Struktur embryonic structures embryonic structure An organ that is located within the body cavity (or in its extension, in the scrotum); it consists of organ parts that are embryologically derived from endoderm, splanchnic mesoderm or intermediate mesoderm; together with other organs, the viscus constitutes the respiratory, gastrointestinal, urinary, reproductive and immune systems, or is the central organ of the cardiovascular system. Examples: heart, lung, esophagus, kidney, ovary, spleen. visceral organ visceral organ system splanchnic tissue viscera visceral tissue viscus The postcranial subdivision of skeleton structural components forming the long axis of the vertebrate body; in Danio, consisting of the notochord, vertebrae, ribs, supraneurals, intermuscular bones, and unpaired median fins; in human consists of the bones of the vertebral column, the thoracic cage and the pelvis[ZFA+FMA]. axial skeleton post-cranial axial skeleton postcranial axial skeleton Organism subdivision which is the part of the body posterior to the cervical region (or head, when cervical region not present) and anterior to the caudal region. Includes the sacrum when present. thoracolumbar region torso trunk region Rumpf trunk Anatomical cluster consisting of the hematopoietic system and the lymphoid system, or its analogs. hematolymphoid system lymphomyeloid complex haemolymphoid system hemolymphoid system A vasculature that is part of a trunk [Automatically generated definition]. torso vascular network torso vasculature trunk vascular network trunk vasculature vascular network of torso vascular network of trunk vasculature of torso vasculature of trunk Anatomical system that consists of the muscular and skeletal systems. musculo-skeletal system musculoskeletal system Joint in which the articulating bones or cartilages are connected by an articular capsule which encloses a synovial membrane and a synovial cavity. Examples: Temporomandibular joint, knee joint.[FMA]. articulatio synoviale diarthroses diarthrosis diarthrosis joint diarthrodial joints synovial joint The yellow or brown waxy secretions produced by vestigial apocrine sweat glands in the external ear canal[MESH]. ear wax earwax cerumen Somites are spheres of epithelial cells that form sequentially along the anterior-posterior axis of the embryo through mesenchymal to epithelial transition of the presomitic mesoderm. mesodermal cluster epimere epimere mesoderm epithelial somite somites somitic mesoderm somitus somite Muscle tissue is a contractile tissue made up of actin and myosin fibers[GO]. muscular tissue portion of muscle tissue textus muscularis muscle tissue Anatomical system that is involved in the production of hematopoietic cells. haematological system haemopoietic system organa haemopoietica Blutbildungssystem haematopoietic system hematological system hematolymphoid system hemopoietic system hematopoietic system Connected anatomical system that forms a barrier between an animal and its environment. In vertebrates, the integumental system consists of the epidermis, dermis plus associated glands and adnexa such as hair and scales. In invertebrates, the integumental system may include cuticle. integumentary system body surface dermal system external covering of organism integumentum commune organism surface surface integumental system In amniote animal embryology, the epiblast is a tissue type derived either from the inner cell mass in mammals or the blastodisc in birds and reptiles. It lies above the hypoblast. In mammalian embryogenesis, the columnar cells of the epiblast are adjacent to the trophoblast, while the cuboidal cells of the hypoblast are closer to the blastocoele. The epiblast, whilst referred to as the primary ectoderm, differentiates to form all three layers of the trilaminar germ disc in a process called gastrulation[WP]. The outer of the two layers of the blastoderm that form during gastrulation, corresponding to primitive ectoderm during gastrulation and to the definitive ectoderm after gastrulation[ZFA]. epiblast blastocyst ectoblast epiblastus primitive ectoderm epiblast (generic) Unsegmented field of paraxial mesoderm present posterior to the most recently formed somite pair, from which somites will form. segmental plate unsegmented paraxial mesoderm PSM presumptive somite mesoderm somitogenic mesoderm somitomeric mesoderm unsegmented mesenchyme presomitic mesoderm Blood islands are structures in the developing embryo which lead to many different parts of the circulatory system. They primarily derive from plexuses formed from angioblasts. Within them, vacuoles appear through liquefaction of the central part of the syncytium into plasma. The lumen of the blood vessels thus formed is probably intracellular. The flattened cells at the periphery form the endothelium. The nucleated red blood corpuscles develop either from small masses of the original angioblast left attached to the inner wall of the lumen or directly from the flat endothelial cells. In either case the syncytial mass thus formed projects from and is attached to the wall of the vessel. Such a mass is known as a blood island and hemoglobin gradually accumulates within it. Later the cells on the surface round up, giving the mass a mulberry-like appearance. Then the red blood cells break loose and are carried away in the plasma. Such free blood cells continue to divide. Blood islands have been seen in the area vasculosa in the omphalomesenteric vein and arteries, and in the dorsal aorta[WP, unvetted]. ventral lateral plate mesoderm blood islands VBI caudal hematopoietic tissue posterior ICM posterior blood island ventral blood island blood island The paraxial mesoderm is the mesoderm located bilaterally adjacent to the notochord and neural tube[GO]. paraxial mesenchyme somitic mesoderm mesoderma paraxiale paraxial mesoderm Portion of the middle of the three primary germ layers of the embryo that resides on the periphery of the embryo, is continuous with the extra-embryonic mesoderm, splits into two layers enclosing the intra-embryonic coelom, and gives rise to body wall structures[MP]. LPM lateral mesoderm lateral plate lateral plate mesenchyme mesoderma laminae lateralis lateral plate mesoderm Bilateral groups of cells consisting of three rows: one row of endocardial precursors medially and two rows of myocardical precursors laterally. The two populations fuse at the midline to form the heart rudiment or cone. cardiac field fused heart primordium heart primordium Ventral somitic compartment that is a precursor of the axial skeleton[XAO]. Sclerotomes eventually differentiate into the vertebrae and most of the skull. The caudal (posterior) half of one sclerotome fuses with the rostral (anterior) half of the adjacent one to form each vertebra. From their initial location within the somite, the sclerotome cells migrate medially towards the notochord. These cells meet the sclerotome cells from the other side to form the vertebral body. From this vertebral body, sclerotome cells move dorsally and surround the developing spinal cord, forming the vertebral arch[WP]. sclerotomes sclerotomus sclerotome Gonochoristic organism that can produce female gametes. female organism Anatomical structure that overlaps the outer epithelial layer and is adjacent to the space surrounding the organism. anatomical surface feature surface feature surface region surface structures surface structure Anatomical structure that has as its parts two or more multi-tissue structures of at least two different types and which through specific morphogenetic processes forms a single distinct structural unit demarcated by bona fide boundaries from other distinct anatomical structures of different types. organ compound organ Portion of tissue composed of mesenchymal cells (motile cells that develop from epthelia via an epithelial to mesenchymal transition) and surrounding extracellular material. Mesenchyme has different embryological origins in different metazoan taxa - in many invertebrates it derives in whole or part from ectoderm. In vertebrates it derives largely from mesoderm, and sometimes the terms are used interchangeably, e.g. lateral plate mesoderm/mesenchyme. mesenchymal tissue mesenchyme tissue portion of mesenchymal tissue portion of mesenchyme tissue mesenchyma mesenchyme A blood island that is part of a mesoderm. mesoderm blood islands mesenchyme blood island mesoderm blood island A blood vessel that is part of a heart [Automatically generated definition]. blood vessel of heart cardiac blood vessel heart blood vessel A blood vessel that is part of a trunk [Automatically generated definition]. blood vessel of torso blood vessel of trunk torso blood vessel trunk blood vessel A blood vessel that is part of a thorax [Automatically generated definition]. blood vessel of thorax thorax blood vessel upper body blood vessel thoracic segment blood vessel Epithelial tubes transport gases, liquids and cells from one site to another and form the basic structure of many organs and tissues, with tube shape and organization varying from the single-celled excretory organ in Caenorhabditis elegans to the branching trees of the mammalian kidney and insect tracheal system. epithelial or endothelial tube epithelial tube 2 Any tube, opening or passage that connects two distinct anatomical spaces. foramen foramina opening ostia ostium anatomical conduit An anatomical structure that develops (entirely or partially) from the mesoderm. mesodermal derivative mesoderm-derived structure An anatomical structure that develops (entirely or partially) from the ectoderm. ectodermal deriviative ectoderm-derived structure The first recognizable structure derived from the heart field. myocardial plate cardiac crescent cardiogenic crescent heart rudiment cardiogenic plate A specific region of the lateral mesoderm that will form the primary beating heart tube. In mammals the primary heart field gives rise to the left ventricle. first heart field primary heart field FHF PHF heart field primary heart field An epithelial tube that will give rise to the mature heart. embryonic heart tube endocardial heart tube endocardial tube heart tube A cardiac chamber surrounds an enclosed cavity within the heart. chamber of heart heart chamber cardiac chamber Organ that is part of the hematopoietic system. haematological system organ haemopoietic system organ hematopoeitic organ hematopoietic system organ organ of haematological system organ of haemopoietic system organ of hematopoietic system organ of organa haemopoietica organa haemopoietica organ hematopoeitic or lymphoid organ lymph organ lymphoid organ hemopoietic organ Any muscle organ that is part of a skin of body [Automatically generated definition]. integumental system muscle muscle of integumental system muscle organ of skin skin muscle organ skin muscle Anatomical cluster that consists of all the skeletal elements (eg., bone, cartilage, and teeth) of the body. set of all bones set of bones of body skeleton A cone-like structure that is formed when myocardial progenitor cells of the heart field fuse at the midline. The heart rudiment is the first structure of the heart tube. heart cone rudimentary heart heart rudiment Any collection of muscles that is part of a thorax [Automatically generated definition]. muscle group of thorax muscles of thorax musculi thoracis set of muscles of thorax thoracic musculature musculature of thorax Any collection of muscles that is part of a trunk [Automatically generated definition]. muscle group of trunk set of muscles of trunk muscular system of trunk musculature of trunk A vasculature that is part of a muscle organ [Automatically generated definition]. muscular organ vasculature vasculature of muscle organ A vasculature that is part of a musculoskeletal system [Automatically generated definition]. vasculature of musculoskeletal system Anatomical system that has as its parts the heart and blood vessels. CV system Herz und Gefaesssystem cardiovascular system A vascular network consisting of blood vessels. blood vascular network set of blood vessels blood system blood vessel system blood vessels blood vasculature The embryo and its adnexa (appendages or adjunct parts) or associated membranes (i.e. the products of conception) The conceptus includes all structures that develop from the zygote, both embryonic and extraembryonic. It includes the embryo as well as the embryonic part of the placenta and its associated membranes - amnion, chorion (gestational sac), and yolk sac[WP]. embryo plus adnexa conceptus Organ consisting of skeletal tissue. Encompasses whole bones, fused bones, cartilaginious elements, teeth, dermal denticles. skeletal element Anatomical system that consists of all the joints of the body. joint system set of all joints of body set of all joints set of joints of body articular system Any of the tissue layers that comprise a blood vessel. Examples: tunica media, tunica adventitia. blood vessel layer Layer of lateral plate mesoderm that forms the circulatory system and future gut wall - overlies endoderm[WP]. visceral mesoderm inner layer of lateral plate mesoderm splanchnic mesoderm splanchnic layer of lateral plate mesoderm Anatomical cluster that connects two or more adjacent skeletal elements or hardened body parts. joint articulation A part of a wall of an organ that forms a layer. organ component layer A product of the somatic follicle cell epithelium and a structure that supports the egg in a hostile environment, minimizing water loss whilst allowing gas exchanges essential for embryonic respiration[GO]. egg shell http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0278 egg shell shell (egg) LanguaL term definition: The covering of a bird or reptile egg. eggshell Muscle structures are contractile cells, tissues or organs that are found in multicellular organisms[GO]. musculus muscle muscle element muscle structure An organ or element that part of the trunk region. The trunk region can be further subdividied into thoracic (including chest and thoracic cavity) and abdominal (including abdomen and pelbis) regions. trunk organ trunk region element An organ or element that is in the thoracic cavity. Examples: lung, heart, longus colli. thoracic cavity organ thoracic cavity element An organ that part of the thoracic segment region. This region can be further subdividied chest and thoracic cavity regions. upper body organ thoracic segment organ Mesenchyme that is part of a developing trunk. trunk and cervical mesenchyme trunk mesenchyme A portion of tissue that is part of an embryo. portion of embryonic tissue developing tissue embryonic tissue Portion of tissue that is contiguous with the embryo and is comprised of portions of tissue or cells that will not contribute to the embryo. extra-embryonic tissue extraembryonic tissue developing structure developmental structure developmental tissue developing anatomical structure Multi-tissue structure that arises from the heart rudiment and will become the heart tube. primitive heart tube early primitive heart tube primitive heart tube A somite that is part of a trunk. trunk somite An acellular anatomical structure that is the bounding layer of a anatomical structure. acellular membrane An acellular membrane that is part of the epithelium, lies adjacent to the epithelial cells, and is the fusion of the the basal lamina and the reticular lamina. basement membrane of connective tissue membrana basalis basement membrane basement membrane of epithelium A delimited region of dense mesenchyme within looser mesenchyme. mesenchyme condensation developing mesenchymal condensation Subdivision of skeleton which consists of cranial skeleton, set of all vertebrae, set of all ribs and sternum[FMA, modified]. skeleton axiale axial skeleton plus cranial skeleton The laminar structure of the heart. heart layer Any of the arteries or veins that supply blood to the heart or return blood from the heart muscles to the circulation. coronary vessel Liquid components of living organisms. includes fluids that are excreted or secreted from the body as well as body water that normally is not. fluid fluid body fluid bodily fluid future blood presumptive blood Portion of embryonic tissue determined by fate mapping to become a structure. future structure presumptive structures presumptive structure Presumptive structure of the blastula that will develop into ectoderm. presumptive epidermis presumptive ectoderm Presumptive structure of the blastula that will develop into mesoderm. presumptive mesoderm A rigid covering that envelops an object. shell A vasculature that is part of a organ. organ vasculature set of blood vessels of organ vasculature of organ The vascular cord is the primordial vasculature that will develop into blood vessels by the process of tubulogenesis[GO]. The vascular cord is composed of angioblast or vascular endothelial cells in a solid linear mass called a cord. The cord then undergoes tubulogenesis to form the lumen of the vessels[ZFA]. vascular cord The splanchnic mesoderm in the cardiogenic region where the heart develops; it gives rise to endocardial heart tubes that fuse to form the primordial cardiac tube, the heart primordium[web]. Two migratory heart primordia that move ventrally during the course of neurulation, and then fuse[XAO]. cardiogenic splanchnopleure cardiac mesoderm cardiogenic mesoderm cardiogenic region heart primordia cardiogenic splanchnic mesoderm Organism at the cleavage stage. cleaving embryo A multicellular organism that existence_ends_with a post-juvenile adult stage and existence_starts_with a post-juvenile adult stage. adults adult organism A hollow, muscular organ, which, by contracting rhythmically, keeps up the circulation of the blood or analogs[GO,modified]. dorsal tube heart adult heart primary circulatory organ A presumptive structure that has the potential to develop into a presomitic mesoderm. presumptive segmental plates presumptive segmental plate The part of the blastula that has the potential to develop into a paraxial mesoderm. future paraxial mesenchyme future paraxial mesoderm presumptive paraxial mesoderm The epidermis is the entire outer epithelial layer of an animal, it may be a single layer that produces an extracellular material (e.g. the cuticle of arthropods) or a complex stratified squamous epithelium, as in the case of many vertebrate species[GO]. epidermis epidermis (sensu Metazoa) outer epidermal layer outer epithelial layer hypoderm hypodermis outer epithelium The yellow spheroidal mass of stored food that forms the inner portion of the egg of a bird or reptile and is surrounded by the white. egg yolk http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0215 egg yolk egg (with shell) The hard-shelled reproductive body produced by a bird (especially by the common domestic chicken) or a reptile; also: its contents used as food. whole egg in shell http://langual.org Note that this is cross referenced to both LanguaL "egg" as well as "whole egg in shell" http://www.langual.org/langual_thesaurus.asp?termid=C0128 http://www.langual.org/langual_thesaurus.asp?termid=C0274 LanguaL curation note: The egg shell functions as a container. Therefore, the physical state of a raw egg in the shell is *LIQUID, HIGH VISCOSITY, WITH NO VISIBLE PARTICLES*. shelled egg Outermost layer of cells surrounding the embryo. EVL enveloping layer enveloping layer of ectoderm An epithelial tube open at both ends that allows fluid flow. epithelial tube open at both ends A closed epithelium with a lumen. epithelial vesicle Mesenchyme with little extracellular matrix. dense mesenchyme tissue Mesenchymal cells that are migrating. migrating mesenchyme population Anlagen are populations of contiguous cells, typically arranged in one plane, that are morphologically indistinct, but that already correspond in extent to a later organ/tissue. field developmental field future organ organ field anlage Anatomical system that consists of all blood and lymph vessels. vascular system Albumen is the clear liquid contained within an egg and consists of water and proteins, among which are ovomucin and ovomucoid. It protects the egg yolk and provides additional nutrition for the growth of the embryo. egg white, albumen http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0241 egg white egg white albumen Sum total of mesenchyme in the embryo. entire embryonic mesenchyme region of trunk trunk subdivision subdivision of trunk trunk and cervical paraxial mesenchyme trunk paraxial mesenchyme trunk paraxial mesoderm The embryonic connective tissue made up of loosely aggregated mesenchymal cells, supported by interlaminar jelly, that gives rise to the developing cardiac structures. heart mesenchyme cardiac mesenchyme ALPM anterior lateral plate mesoderm An anatomical structure that has more than one cell as a part. multicellular structure multicellular anatomical structure An epithelium that is part of a extraembryonic structure. extra-embryonic epithelium extraembryonic epithelium An anatomical structure that has some part that develops from the neural crest. structure with developmental contribution from neural crest germ layer / neural crest Epithelium composed of cells that develops from the ectoderm[FMA,modified]. ectoderm-derived epithelium ecto-epithelium Anatomical cluster consisting of the skeletal elements (i.e. bone elements, cartilage elements, cartilage condensations) that are part of an individual subdivision of the organism. Excludes joints. skeletal subdivision subdivision of skeleton (in vivo) subdivision of skeleton Joint in which the articulating bones or cartilages are connected by ligaments or fibrocartilage without an intervening synovial cavity. Examples: sagittal suture, inferior tibiofibular syndesmosis, costochondral joint, pubic symphysis. solid joint nonsynovial joint Subdivision of the skeletal system which consists of the axial skeleton plus associated joints. axial skeletal system Subdivision of the skeletal system which consists of the postcranial axial skeleton plus associated joints. axial skeletal system post-cranial axial skeletal system postcranial axial skeletal system A subdivision of an anatomical system. organ system subdivision Anatomical structure that is an aggregation of similar cells from which cartilages and bones form, and from which chondrogenesis and osteogenesis are initiated during repair and/or regeneration. (Hall and Miyake 1995). cell condensation A major subdivision of an organism that divides an organism along its main body axis (typically anterio-posterior axis). In vertebrates, this is based on the vertebral column. axial subdivision of organism body segment main body segment subdivision of organism along main body axis A cardiovascular system that is part of a conceptus. conceptus cardiovascular system embryonic circulatory system fetal circulatory system embryonic cardiovascular system Epithelium that derives from the mesoderm. [Automatically generated definition]. mesoderm-derived epithelium mesoepithelium meso-epithelium extraembryonic cavities extraembryonic cavity subdivision of tube 2 An anatomical space which is the lumen of some anatomical conduit and connects two or more spaces together[FMA,modified]. foramen space anatomical conduit space A principle subdivision of an organism that includes all structures along the primary axis, typically the anterior-posterior axis, from head to tail, including structures of the body proper where present (for example, ribs), but excluding appendages. main body axis The region of the organism associated with the visceral organs. body whole body body proper An organ component layer that is part of a integumental system. layer of skin skin layer integumentary system layer Subdivision of skeletal system that consists of all skeletal elements in the thoracic region of the trunk. In most vertebrates this is the rib cage and sternum. skeleton of thorax thoracic part of axial skeleton thoracic skeleton thoracic skeleton A portion of tissue that will develop into vasculature. primordial vasculature Any structure that is placed on one side of the left-right axis of a bilaterian. lateral structure A hollow, muscular organ, which, by contracting rhythmically, contributes to the circulation of lymph, blood or analogs. Examples: a chambered vertebrate heart; the tubular peristaltic heart of ascidians; the dorsal vessel of an insect; the lymoh heart of a reptile. heart cardiac pump heart or heart like organ circulatory vessel cardiac structure circulatory organ heart/pericardium heart plus pericardium The part of the conceptus that may be lost before birth or will be discarded at birth, or when the embryo becomes an independent organism. extra-embryonic component extraembryonic component entire extraembryonic component An interconnected tubular multi-tissue structure that contains fluid that is actively transported around the heart. cardiac vasculature heart vasculature An multicellular anatomical structure that has subparts of multiple organs as a part. anatomical cluster multi organ part structure Material anatomical entity consisting of multiple anatomical structures that are not connected to each other. disconnected anatomical group A collection of anatomical structures that are alike in terms of their morphology or developmental origin. anatomical collection blood vessel wall vascular wall wall of blood vessel An region of the mesoderm that includes anterior lateral mesoderm of the first heart field plus contiguous pharyngeal mesoderm that gives rise to second-heart-field-derived regions of the heart and branchiomeric muscles. cardiopharyngeal field Wall of organ which has as its parts the endocardium, myocardium , epicardium, and the cardiac septum, surrounded by the pericardial sac proper and is continuous with the walls of the systemic and pulmonary arterial and venous trees. cardiac wall wall of heart A state of being, an external or environmental factor or a treatment observed or administered prior to or concurrent with an investigative procedure such as an assessment of a morphological or physiological state or property in a single individual or sample or in a group of individuals or samples, especially a state, factor or treatment which has the potential to influence the outcome of such an assessment. experimental_condition_ontology XCO:0000000 experimental condition A state of being, an external or environmental factor or a treatment observed or administered prior to or concurrent with an investigative procedure such as an assessment of a morphological or physiological state or property in a single individual or sample or in a group of individuals or samples, especially a state, factor or treatment which has the potential to influence the outcome of such an assessment. Multiple_Dictionaries:http://www.thefreedictionary.com/ PMID:22654893 The state of being involved in some action, either physical or mental. experimental_condition_ontology XCO:0000001 activity The state of being involved in some action, either physical or mental. Dorland:Dorlands_Illustrated_Medical_Dictionary--31st_Ed ISBN:978-1416049982 A state in which the organism is not exhibiting any physical exertion. experimental_condition_ontology XCO:0000002 resting A state in which the organism is not exhibiting any physical exertion. Dorland:Dorlands_Illustrated_Medical_Dictionary--31st_Ed ISBN:978-1416049982 Action in which a part of the body or whole body is involved in movement. mshimoyama 2009-12-17T01:50:15Z experimental_condition_ontology XCO:0000059 physical activity Action in which a part of the body or whole body is involved in movement. Dorland:Dorlands_Illustrated_Medical_Dictionary--31st_Ed ISBN:978-1416049982 requires discussion An avian animal which is any of a number of species of wild birds which are hunted, killed and eaten by humans. https://simple.wikipedia.org/wiki/Game_bird#:~:text=A%20game%20bird%20is%20any,so%20there%20are%20gun%20laws. 2022-11-03T01:40:18.746Z game bird 2019-03-05T17:25:21Z Western Australia Ecoregion WWF:AA1310 https://www.worldwildlife.org/ecoregions/aa1310 Western Australian Mulga Shrublands Ecoregion 2019-03-05T17:51:32Z https://www.worldwildlife.org/biomes/deserts-and-xeric-shrublands Australasia Ecoregion 2019-03-05T17:52:41Z Southern central Australia Ecoregion WWF:AA1309 https://www.worldwildlife.org/ecoregions/aa1309 Tirari-Sturt Stony Desert Ecoregion 2019-03-05T17:54:35Z Eastern central Australia Ecoregion WWF:AA1308 https://www.worldwildlife.org/ecoregions/aa1308 Simpson Desert Region 2019-03-05T17:56:13Z Western Australia Ecoregion WWF:AA1307 https://www.worldwildlife.org/ecoregions/aa1307 Pilbara Shrublands Ecoregion 2019-03-05T18:10:52Z Western coast of Australia Ecoregion WWF:AA1301 https://www.worldwildlife.org/ecoregions/aa1301 Carnarvon Xeric Shrublands Ecoregion 2019-03-05T18:12:28Z Central Australia Ecoregion WWF:AA1302 https://www.worldwildlife.org/ecoregions/aa1302 Central Ranges Xeric Shrub Ecoregion 2019-03-05T18:15:11Z Western central Australia WWF:AA1303 https://www.worldwildlife.org/ecoregions/aa1303 Gibson Desert Ecoregion 2019-03-05T18:17:15Z Northwestern Australia WWF:AA1304 https://www.worldwildlife.org/ecoregions/aa1304 The Great Sandy-Tanami Desert Ecoregion 2019-03-05T18:24:06Z Southern Australia Ecoregion WWF:AA1305 https://www.worldwildlife.org/ecoregions/aa1305 Great Victoria Desert Ecoregion 2019-03-05T18:26:16Z Southern Australia Ecoregion WWF:AA1306 https://www.worldwildlife.org/ecoregions/aa1306 Nullarbor Plains Xeric Shrubland Ecoregion 2019-03-06T22:01:41Z https://www.worldwildlife.org/biomes/deserts-and-xeric-shrublands Afrotropical Ecoregion 2019-03-06T22:02:37Z Southern Africa: Southern Namibia into South Africa WWF:AT1322 https://www.worldwildlife.org/ecoregions/at1322 Succulent Karoo Ecoregion 2019-03-06T22:07:38Z WWF:AT1321 https://www.worldwildlife.org/ecoregions/at1321 Arabian Peninsula: Yemen and Saudi Arabia Yemen and Saudi Arabia Ecoregion 2019-03-06T22:11:38Z WWF:AT1320 https://www.worldwildlife.org/ecoregions/at1320 Arabian Peninsula: Yemen, Saudi Arabia, and Oman Yemen, Saudi Arabia, and Oman Ecoregion 2019-03-06T22:13:00Z WWF:AT1319 https://www.worldwildlife.org/ecoregions/at1319 Somali montane xeric woodlands ecoregion Somali Montane Xeric Woodland Ecoregion 2019-03-06T22:15:07Z Islands east of the Horn of Africa and south of Yemen Ecoregion WWF:AT1318 https://www.worldwildlife.org/ecoregions/at1318 Socotran Archipelago Ecoregion 2019-03-06T22:18:55Z WWF:AT1317 https://www.worldwildlife.org/ecoregions/at1317 Red Sea Coastal Desert Ecoregion 2019-03-06T22:20:56Z WWF:AT1316 https://www.worldwildlife.org/ecoregions/at1316 Namibian Savanna Woodland Ecoregion 2019-03-06T22:24:28Z Africa: Namibia Ecoregion WWF:AT1315 https://www.worldwildlife.org/ecoregions/at1315 Namib Desert Ecoregion 2019-03-06T22:26:15Z WWF:AT1314 https://www.worldwildlife.org/ecoregions/at1314 Nama Karoo Ecoregion 2019-03-06T22:28:43Z WWF:AT1313 https://www.worldwildlife.org/ecoregions/at1313 Masai Xeric Grasslands and Shrublands Ecoregion 2019-03-06T22:30:23Z WWF:AT1312 https://www.worldwildlife.org/ecoregions/at1312 Madagascar Succulent Woodlands Ecoregion 2019-03-06T22:31:29Z WWF:AT1311 https://www.worldwildlife.org/ecoregions/at1311 Madagascar spiny desert ecoregion Madagascar Spiny Thickets Ecoregion 2019-03-06T22:39:32Z WWF:AT1310 https://www.worldwildlife.org/ecoregions/at1310 Africa: Coastal Namibia and Angola Ecoregion Kaokoveld Desert Ecoregion 2019-03-06T22:42:47Z WWF:AT1309 https://www.worldwildlife.org/ecoregions/at1309 Kalahari Xeric Savanna Ecoregion 2019-03-06T22:44:54Z WWF:AT1308 https://www.worldwildlife.org/ecoregions/at1308 Southern Africa: Islands about half-way between southern Madagascar and southern Mozambique Ecoregion Ile Europa and Bassas da India Ecoregion 2019-03-06T22:46:58Z Eastern Africa: Somalia WWF:AT1307 https://www.worldwildlife.org/ecoregions/at1307 Hobyo Grassland and Shrubland Ecoregion 2019-03-06T22:54:57Z WWF:AT1306 https://www.worldwildlife.org/ecoregions/at1306 Arabian Peninsula: Oman and United Arab Emirates Ecoregion Oman and United Arab Emirates Ecoregion 2019-03-07T00:08:06Z WWF:AT1305 https://www.worldwildlife.org/ecoregions/at1305 Ethiopian Xeric Grasslands and Shrublands Ecoregion 2019-03-07T00:11:29Z WWF:AT1304 https://www.worldwildlife.org/ecoregions/at1304 Eritrean Coastal Desert Ecoregion 2019-03-07T00:13:33Z WWF:AT1303 https://www.worldwildlife.org/ecoregions/at1303 North central Africa: Eastern Chad and small area of western Sudan East Saharan Montane Xeric Woodland Ecoregion 2019-03-07T00:16:12Z WWF:AT1302 https://www.worldwildlife.org/ecoregions/at1302 Western Asia: Oman, Yemen, and Saudi Arabia Ecoregion Oman, Yemen, and Saudi Arabia Ecoregion 2019-03-07T00:18:09Z WWF:AT1301 https://www.worldwildlife.org/ecoregions/at1301 Aldabra Island Xeric Scrub Ecoregion 2019-04-26T23:38:50Z Indo-Malay Ecoregion 2019-04-26T23:40:13Z WWF:IM1304 Southern Asia: Western India into Pakistan Thar Desert 2019-04-27T00:12:51Z WWF:IM1303 Southern Asia: Eastern India and western Pakistan Northwestern Thorn Scrub Forests A polar front between the deep, cold Arctic air and the shallower, warmer polar air of northern latitudes on Earth. 2019-08-20T13:47:18Z envoAtmo envoPolar Arctic front A polar front between the deep, cold Arctic air and the shallower, warmer polar air of northern latitudes on Earth. A polar front between the deep, cold Antarctic air and the shallower, warmer polar air of southern latitudes on Earth. 2019-08-20T13:48:44Z envoAtmo envoPolar Antarctic front A polar front between the deep, cold Antarctic air and the shallower, warmer polar air of southern latitudes on Earth. Stellar radiation emitted from Sol. 2020-05-19T22:27:44Z Solar radiation example to be eventually removed example to be eventually removed metadata complete Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete. metadata complete organizational term Term created to ease viewing/sort terms for development purpose, and will not be included in a release organizational term ready for release Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release." ready for release metadata incomplete Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors. metadata incomplete uncurated Nothing done yet beyond assigning a unique class ID and proposing a preferred term. uncurated pending final vetting All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor. pending final vetting to be replaced with external ontology term Terms with this status should eventually replaced with a term from another ontology. group:OBI to be replaced with external ontology term requires discussion A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues. group:OBI requires discussion third planet from the Sun in the Solar System Earth third planet from the Sun in the Solar System https://www.wikidata.org/wiki/Q2 "Suni, or Jalca, is one of the eight Natural Regions of Peru. It is located in the Andes at an altitude between 3,500 and 4,000 metres above sea level. Suni has a dry and cold weather and there are many glacial valleys. The flora includes gramineous plants and shrubs such as the taya-taya (Caesalpinia spinosa), the quishuar (Buddleja coriacea), and the cantuta (Cantua buxifolia) which was considered sacred by the Incas. Even though it is hard for plants to grow because of the weather, people are able to cultivate such crops as quinoa, qañiwa, broad beans and ulluku (Ullucus tuberosus). The main fauna is the guinea pig and, among numerous other highland birds, the Chiguanco thrush." Jalca Suni "Suni, or Jalca, is one of the eight Natural Regions of Peru. It is located in the Andes at an altitude between 3,500 and 4,000 metres above sea level. Suni has a dry and cold weather and there are many glacial valleys. The flora includes gramineous plants and shrubs such as the taya-taya (Caesalpinia spinosa), the quishuar (Buddleja coriacea), and the cantuta (Cantua buxifolia) which was considered sacred by the Incas. Even though it is hard for plants to grow because of the weather, people are able to cultivate such crops as quinoa, qañiwa, broad beans and ulluku (Ullucus tuberosus). The main fauna is the guinea pig and, among numerous other highland birds, the Chiguanco thrush." https://en.wikipedia.org/wiki/Suni_(geography) Sun Sol Earth's interconnected water system World Ocean Earth's interconnected water system https://www.wikidata.org/wiki/Q715269 2 2 1 2 true MF(X)-directly_regulates->MF(Y)-enabled_by->GP(Z) => MF(Y)-has_input->GP(Y) e.g. if 'protein kinase activity'(X) directly_regulates 'protein binding activity (Y)and this is enabled by GP(Z) then X has_input Z infer input from direct reg GP(X)-enables->MF(Y)-has_part->MF(Z) => GP(X) enables MF(Z), e.g. if GP X enables ATPase coupled transporter activity' and 'ATPase coupled transporter activity' has_part 'ATPase activity' then GP(X) enables 'ATPase activity' enabling an MF enables its parts true GP(X)-enables->MF(Y)-part_of->BP(Z) => GP(X) involved_in BP(Z) e.g. if X enables 'protein kinase activity' and Y 'part of' 'signal tranduction' then X involved in 'signal transduction' involved in BP This can't be added as a property chain because it causes a circularity violation for 'part of'. This can't be added as a property chain because it causes a circularity violation for 'part of'. This can't be added as a property chain because it causes a circularity violation for 'part of'. This rule is dubious: added as a quick fix for expected inference in GO-CAM. The problem is most acute for transmembrane proteins, such as receptors or cell adhesion molecules, which have some subfunctions inside the cell (e.g. kinase activity) and some subfunctions outside (e.g. ligand binding). Correct annotation of where these functions occurs leads to incorrect inference about the location of the whole protein. This should probably be weakened to "... -> overlaps" If a molecular function (X) has a regulatory subfunction, then any gene product which is an input to that subfunction has an activity that directly_regulates X. Note: this is intended for cases where the regaultory subfunction is protein binding, so it could be tightened with an additional clause to specify this. inferring direct reg edge from input to regulatory subfunction inferring direct neg reg edge from input to regulatory subfunction inferring direct positive reg edge from input to regulatory subfunction effector input is compound function input Input of effector is input of its parent MF if effector directly regulates X, its parent MF directly regulates X if effector directly positively regulates X, its parent MF directly positively regulates X if effector directly negatively regulates X, its parent MF directly negatively regulates X 'causally downstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties). 'causally upstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties).