chlorpyrifos (CHEBI:34631)

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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An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.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

Average Mass

350.58644

Monoisotopic Mass

348.92628

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.

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	UniProt
Chlorpyrifos	KEGG COMPOUND
chlorpyrifos ethyl	ChemIDplus
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

Last Modified

19 July 2020

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag