CHEBI:34801 - isoxathion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoxathion
ChEBI ID CHEBI:34801
Definition An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group is replaced by a 5-phenyl-1,2-oxazol-3-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C13H16NO4PS
Net Charge 0
Average Mass 313.31024
Monoisotopic Mass 313.05377
InChI InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey SDMSCIWHRZJSRN-UHFFFAOYSA-N
SMILES CCOP(=S)(OCC)Oc1cc(on1)-c1ccccc1
Roles Classification
Biological Role(s): EC 3.1.1.7 (acetylcholinesterase) inhibitor
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.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
(via organophosphorus insecticide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organophosphorus pesticide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoxathion (CHEBI:34801) has functional parent 5-phenylisoxazol-3-ol (CHEBI:38713)
isoxathion (CHEBI:34801) has role agrochemical (CHEBI:33286)
isoxathion (CHEBI:34801) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
isoxathion (CHEBI:34801) is a organic thiophosphate (CHEBI:37512)
isoxathion (CHEBI:34801) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name
O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate
Synonyms Sources
Isoxathion KEGG COMPOUND
Karphos KEGG COMPOUND
O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate ChemIDplus
O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate ChemIDplus
O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate IUPAC
Manual Xrefs Databases
413 PPDB
C14580 KEGG COMPOUND
EG17168 Patent
Isoxathion Wikipedia
NZ190244 Patent
View more database links
Registry Numbers Types Sources
1222135 Reaxys Registry Number Reaxys
18854-01-8 CAS Registry Number KEGG COMPOUND
18854-01-8 CAS Registry Number ChemIDplus
18854-01-8 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24418711 PubMed citation Europe PMC
9004458 PubMed citation Europe PMC
Last Modified
17 March 2014