CHEBI:34801 - isoxathion

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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.
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Formula C13H16NO4PS
Net Charge 0
Average Mass 313.31024
Monoisotopic Mass 313.054
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 )
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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
Database Links Databases
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