CHEBI:38764 - phorate

ChEBI IDCHEBI:38764
ChEBI Namephorate
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H17O2PS3
Net Charge0
Average Mass260.386
Monoisotopic Mass260.01283
SMILESCCOP(=S)(OCC)SCSCC
InChIInChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
InChIKeyBULVZWIRKLYCBC-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
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)
phorate (CHEBI:38764) has functional parent (ethylsulfanyl)methanethiol (CHEBI:38829)
phorate (CHEBI:38764) has role acaricide (CHEBI:22153)
phorate (CHEBI:38764) has role agrochemical (CHEBI:33286)
phorate (CHEBI:38764) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
phorate (CHEBI:38764) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
phorate (CHEBI:38764) is a organic thiophosphate (CHEBI:37512)
phorate (CHEBI:38764) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name 
O,O-diethyl S-[(ethylsulfanyl)methyl] phosphorodithioate
Synonyms  Source
O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphateIUPAC
O,O-Diethyl S-(ethylthio)methyl phosphorodithioateChemIDplus
O,O-Diethyl S-ethylmercaptomethyl dithiophosphateChemIDplus
ThimetChemIDplus
Phosphorodithioic acid, O,O-diethyl S-((ethylthio)methyl) esterChemIDplus
Manual XrefsDatabases
C18690KEGG COMPOUND
519PPDB
Registry NumbersSources
Beilstein:1708517Beilstein
CAS:298-02-2ChemIDplus
CAS:298-02-2NIST Chemistry WebBook
CAS:298-02-2KEGG COMPOUND