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CHEBI:136729 - haloxyfop-P-methyl

ChEBI IDCHEBI:136729
ChEBI Namehaloxyfop-P-methyl
Stars
DefinitionA methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configuration. It is a proherbicide (by hydrolysis of the methyl ester) for the herbicide haloxyfop-P, the most active enantiomer of the racemic herbicide haloxyfop.
Last Modified5 April 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H13ClF3NO4
Net Charge0
Average Mass375.730
Monoisotopic Mass375.04852
SMILESCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1
InChIKeyMFSWTRQUCLNFOM-SECBINFHSA-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).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
ChEBI Ontology
Outgoing Relation(s)
haloxyfop-P-methyl (CHEBI:136729) has functional parent haloxyfop-P (CHEBI:47454)
haloxyfop-P-methyl (CHEBI:136729) has role agrochemical (CHEBI:33286)
haloxyfop-P-methyl (CHEBI:136729) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
haloxyfop-P-methyl (CHEBI:136729) has role proherbicide (CHEBI:136646)
haloxyfop-P-methyl (CHEBI:136729) is a methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:136720)
haloxyfop-P-methyl (CHEBI:136729) is enantiomer of (S)-haloxyfop-methyl (CHEBI:136733)
Incoming Relation(s)
haloxyfop-methyl (CHEBI:5616) has part haloxyfop-P-methyl (CHEBI:136729)
(S)-haloxyfop-methyl (CHEBI:136733) is enantiomer of haloxyfop-P-methyl (CHEBI:136729)
IUPAC Name 
methyl (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
Synonyms  Source
methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoateAlan Wood's Pesticides
methyl (R)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionateAlan Wood's Pesticides
methyl (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propionateIUPAC
haloxyfop-R-methylAlan Wood's Pesticides
(R)-haloxyfop methyl esterChemIDplus
Brand Name  Source
Gallant SuperChemIDplus
Manual XrefsDatabases
derivatives/haloxyfop-p-methylAlan Wood's Pesticides
1068PPDB
Registry NumbersSources
Reaxys:13995533Reaxys
CAS:72619-32-0Alan Wood's Pesticides
CAS:72619-32-0ChemIDplus
Citations