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CHEBI:38873 - prothiofos

Default Structure
ChEBI IDCHEBI:38873
ChEBI Nameprothiofos
Stars
DefinitionAn organic thiophosphate that is the 2,4-dichlorophenyl ester of O-ethyl S-propyl dithiophosphoric acid.
Last Modified13 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H15Cl2O2PS2
Net Charge0
Average Mass345.253
Monoisotopic Mass343.96281
SMILESCCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFITIWKDOCAUBQD-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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).
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.
ChEBI Ontology
Outgoing Relation(s)
prothiofos (CHEBI:38873) has functional parent 2,4-dichlorophenol (CHEBI:16738)
prothiofos (CHEBI:38873) has role agrochemical (CHEBI:33286)
prothiofos (CHEBI:38873) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
prothiofos (CHEBI:38873) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
prothiofos (CHEBI:38873) has role insecticide (CHEBI:24852)
prothiofos (CHEBI:38873) is a dichlorobenzene (CHEBI:23697)
prothiofos (CHEBI:38873) is a organic thiophosphate (CHEBI:37512)
prothiofos (CHEBI:38873) is a organosulfur compound (CHEBI:33261)
IUPAC Name 
O-(2,4-dichlorophenyl) O-ethyl S-propyl phosphorodithionate
Synonyms  Source
DichlorpropaphosChemIDplus
O-(2,4-dichlorophenyl) O-ethyl S-propyl dithiophosphateIUPAC
ProthiophosChemIDplus
Manual XrefsDatabases
560PPDB
C18405KEGG COMPOUND
Registry NumbersSources
Reaxys:1998314Reaxys
CAS:34643-46-4KEGG COMPOUND
CAS:34643-46-4NIST Chemistry WebBook
CAS:34643-46-4ChemIDplus
Citations