CHEBI:34631 - chlorpyrifos

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ChEBI Name chlorpyrifos
ChEBI ID CHEBI:34631
Definition An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H11Cl3NO3PS
Net Charge 0
Average Mass 350.58644
Monoisotopic Mass 348.926
InChI InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey SBPBAQFWLVIOKP-UHFFFAOYSA-N
SMILES CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
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.
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).
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): 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.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing chlorpyrifos (CHEBI:34631) has role acaricide (CHEBI:22153)
chlorpyrifos (CHEBI:34631) has role agrochemical (CHEBI:33286)
chlorpyrifos (CHEBI:34631) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
chlorpyrifos (CHEBI:34631) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
chlorpyrifos (CHEBI:34631) has role environmental contaminant (CHEBI:78298)
chlorpyrifos (CHEBI:34631) has role insecticide (CHEBI:24852)
chlorpyrifos (CHEBI:34631) has role xenobiotic (CHEBI:35703)
chlorpyrifos (CHEBI:34631) is a chloropyridine (CHEBI:39173)
chlorpyrifos (CHEBI:34631) is a organic thiophosphate (CHEBI:37512)
IUPAC Name
O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate
Synonyms Sources
Chlorpyrifos KEGG COMPOUND
Chlorpyrifos-ethyl ChemIDplus
Chlorpyriphos KEGG COMPOUND
m-Chlorpyrifos NIST Chemistry WebBook
O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate IUPAC
o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate NIST Chemistry WebBook
Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester ChemIDplus
Trichlorpyrphos ChemIDplus
Database Links Databases
C14322 KEGG COMPOUND
chlorpyrifos Alan Wood's Pesticides
Chlorpyrifos Wikipedia
D07688 KEGG DRUG
HMDB0041856 HMDB
View more database links
Registry Numbers Types Sources
1545756 Beilstein Registry Number Beilstein
1545756 Reaxys Registry Number Reaxys
2921-88-2 CAS Registry Number KEGG COMPOUND
2921-88-2 CAS Registry Number ChemIDplus
2921-88-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11882345 PubMed citation Europe PMC
18166376 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag