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CHEBI:70721 - clethodim

ChEBI IDCHEBI:70721
ChEBI Nameclethodim
Stars
DefinitionAn oxime O-ether resulting from the formal conversion ot the acyclic keto group of 5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-propionylcyclohex-2-en-1-one to the corresponding oxime with subsequent O-alkylation of the oxime by an (E)-3-chloroallyl group. It is used as a selective postemergence herbicide for the control of annual and perennial grasses in numerous crops, including alfalfa, celery, clover, conifers, cotton, cranberries, garlic, onions, ornamentals, peanuts, soybeans, strawberries, sugarbeet, sunflowers, and vegetables; the (−)-enantiomer has been reported to be more active than the (+)-enantiomer.
Last Modified3 August 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H26ClNO3S
Net Charge0
Average Mass359.919
Monoisotopic Mass359.13219
SMILESCCSC(C)CC1CC(=O)C(C(CC)=NOC/C=C/Cl)=C(O)C1
InChIInChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14?
InChIKeySILSDTWXNBZOGF-JWGBMQLESA-N
Roles Classification
Biological Role:
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor  An EC 6.4.1.* (C‒C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
clethodim (CHEBI:70721) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
clethodim (CHEBI:70721) has role herbicide (CHEBI:24527)
clethodim (CHEBI:70721) is a cyclic ketone (CHEBI:3992)
clethodim (CHEBI:70721) is a enol (CHEBI:33823)
clethodim (CHEBI:70721) is a organic sulfide (CHEBI:16385)
clethodim (CHEBI:70721) is a organochlorine compound (CHEBI:36683)
clethodim (CHEBI:70721) is a oxime O-ether (CHEBI:36816)
clethodim (CHEBI:70721) is a β-diketone (CHEBI:67265)
IUPAC Name 
2-(N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl)-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one
Synonym  Source
2-[1-[[[(2E)-3-chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-oneChEBI
Manual XrefsDatabases
C18609KEGG COMPOUND
CN101575307Patent
US6300281Patent
164PPDB
Registry NumbersSources
CAS:99129-21-2ChemIDplus
CAS:99129-21-2KEGG COMPOUND
Citations