monocrotophos (CHEBI:38728)

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ChEBI Name	monocrotophos

ChEBI ID	CHEBI:38728

Definition	An alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C7H14NO5P

Net Charge

Average Mass

223.16356

Monoisotopic Mass

223.06096

InChI

InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+

InChIKey

KRTSDMXIXPKRQR-AATRIKPKSA-N

SMILES

CNC(=O)\C=C(/C)OP(=O)(OC)OC

Roles Classification
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). EC 1.4.3.4 (monoamine oxidase) inhibitor An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).

Application(s):	acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). agrochemical An agrochemical is a substance that is used in agriculture or horticulture. avicide A substance used to destroy bird pests (class Aves). 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. (via organophosphorus insecticide ) pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. (via organophosphorus pesticide )

ChEBI Ontology
Outgoing	monocrotophos (CHEBI:38728) has role acaricide (CHEBI:22153) monocrotophos (CHEBI:38728) has role agrochemical (CHEBI:33286) monocrotophos (CHEBI:38728) has role avicide (CHEBI:33289) monocrotophos (CHEBI:38728) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623) monocrotophos (CHEBI:38728) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) monocrotophos (CHEBI:38728) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733) monocrotophos (CHEBI:38728) is a alkenyl phosphate (CHEBI:37494) monocrotophos (CHEBI:38728) is a dialkyl phosphate (CHEBI:16648) monocrotophos (CHEBI:38728) is a monocarboxylic acid amide (CHEBI:29347) monocrotophos (CHEBI:38728) is a organophosphate insecticide (CHEBI:25708)

IUPAC Name

dimethyl (1E)-1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate

Synonyms	Sources
(E)-monocrotophos	HMDB
Azodrin	ChemIDplus
Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate	ChemIDplus
Dimethyl (E)-3-hydroxy-N-methylcrotonamide	ChemIDplus
Phosphoric acid, dimethyl (E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester	ChemIDplus

Last Modified

28 July 2014