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CHEBI:38728 - monocrotophos

Default Structure
ChEBI IDCHEBI:38728
ChEBI Namemonocrotophos
Stars
DefinitionAn alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate.
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H14NO5P
Net Charge0
Average Mass223.165
Monoisotopic Mass223.06096
SMILESCNC(=O)/C=C(\C)OP(=O)(OC)OC
InChIInChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
InChIKeyKRTSDMXIXPKRQR-AATRIKPKSA-N
Wikipedia
Roles Classification
Biological Roles:
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).
Applications:
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.
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)
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  Source
AzodrinChemIDplus
Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphateChemIDplus
Dimethyl (E)-3-hydroxy-N-methylcrotonamideChemIDplus
(E)-monocrotophosHMDB
Phosphoric acid, dimethyl (E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl esterChemIDplus
Manual XrefsDatabases
1111PPDB
C18663KEGG COMPOUND
HMDB0031805HMDB
MonocrotophosWikipedia
Registry NumbersSources
Beilstein:2331934Beilstein
Reaxys:8415832Reaxys
CAS:6923-22-4ChemIDplus
CAS:6923-22-4NIST Chemistry WebBook
CAS:6923-22-4KEGG COMPOUND
Citations