CHEBI:38858 - propaphos

ChEBI IDCHEBI:38858
ChEBI Namepropaphos
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H21O4PS
Net Charge0
Average Mass304.348
Monoisotopic Mass304.08982
SMILESCCCOP(=O)(OCCC)Oc1ccc(SC)cc1
InChIInChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyPWYIUEFFPNVCMW-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.
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)
propaphos (CHEBI:38858) has functional parent 4-(methylsulfanyl)phenol (CHEBI:38862)
propaphos (CHEBI:38858) has role agrochemical (CHEBI:33286)
propaphos (CHEBI:38858) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
propaphos (CHEBI:38858) is a dialkyl aryl phosphate (CHEBI:38861)
propaphos (CHEBI:38858) is a organophosphate insecticide (CHEBI:25708)
IUPAC Name 
4-(methylsulfanyl)phenyl dipropyl phosphate
Synonym  Source
4-Methylthiophenyl dipropyl phosphateChemIDplus
Manual XrefsDatabases
C19013KEGG COMPOUND
1677PPDB
Registry NumbersSources
Beilstein:2990614Beilstein
CAS:7292-16-2ChemIDplus
CAS:7292-16-2KEGG COMPOUND