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CHEBI:38728 - monocrotophos

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 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).
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 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.
avicide  A substance used to destroy bird pests (class Aves).
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.
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
Phosphoric acid, dimethyl (E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl esterChemIDplus
Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphateChemIDplus
Dimethyl (E)-3-hydroxy-N-methylcrotonamideChemIDplus
(E)-monocrotophosHMDB
Manual XrefsDatabases
MonocrotophosWikipedia
HMDB0031805HMDB
C18663KEGG COMPOUND
1111PPDB
Registry NumbersSources
Beilstein:2331934Beilstein
Reaxys:8415832Reaxys
CAS:6923-22-4ChemIDplus
CAS:6923-22-4NIST Chemistry WebBook
CAS:6923-22-4KEGG COMPOUND
Citations