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CHEBI:34801 - isoxathion

ChEBI IDCHEBI:34801
ChEBI Nameisoxathion
Stars
DefinitionAn 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.
Last Modified17 March 2014
DownloadsMolfile
FormulaC13H16NO4PS
Net Charge0
Average Mass313.315
Monoisotopic Mass313.05377
SMILESCCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1
InChIInChI=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
InChIKeySDMSCIWHRZJSRN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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.
Applications:
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.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
IsoxathionKEGG COMPOUND
KarphosKEGG COMPOUND
O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphateIUPAC
O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionateChemIDplus
O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioateChemIDplus
Manual XrefsDatabases
C14580KEGG COMPOUND
NZ190244Patent
EG17168Patent
IsoxathionWikipedia
413PPDB
Registry NumbersSources
Reaxys:1222135Reaxys
CAS:18854-01-8KEGG COMPOUND
CAS:18854-01-8ChemIDplus
CAS:18854-01-8NIST Chemistry WebBook
Citations