CHEBI:38730 - omethoate

ChEBI IDCHEBI:38730
ChEBI Nameomethoate
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H12NO4PS
Net Charge0
Average Mass213.195
Monoisotopic Mass213.02247
SMILESCNC(=O)CSP(=O)(OC)OC
InChIInChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
InChIKeyPZXOQEXFMJCDPG-UHFFFAOYSA-N
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.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
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)
omethoate (CHEBI:38730) has functional parent N-methyl-2-sulfanylacetamide (CHEBI:38731)
omethoate (CHEBI:38730) has role acaricide (CHEBI:22153)
omethoate (CHEBI:38730) has role agrochemical (CHEBI:33286)
omethoate (CHEBI:38730) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
omethoate (CHEBI:38730) is a organic thiophosphate (CHEBI:37512)
omethoate (CHEBI:38730) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name 
O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorothioate
Synonyms  Source
DimethoxonChemIDplus
O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] thiophosphateIUPAC
2-Dimethoxyphosphinoylthio-N-methylacetamideChemIDplus
O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorothioateChemIDplus
O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorothiolateChemIDplus
O,O-Dimethyl S-(N-methylcarbamoylmethyl) thiophosphateChemIDplus
Manual XrefsDatabases
C18662KEGG COMPOUND
492PPDB
Registry NumbersSources
Beilstein:1785256Beilstein
CAS:1113-02-6ChemIDplus
CAS:1113-02-6NIST Chemistry WebBook
CAS:1113-02-6KEGG COMPOUND