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CHEBI:47454 - haloxyfop-P

ChEBI IDCHEBI:47454
ChEBI Namehaloxyfop-P
Stars
DefinitionA 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the most active enantiomer of the (racemic) herbicide haloxyfop and is used (particularly as the corresponding methyl and ethoxyethyl ester proherbicides (haloxyfop-P-methyl and haloxyfop-P-etotyl, respectively) to control annual and perrenial grasses in a variety of crops.
Secondary ChEBI IDCHEBI:136691
Last Modified6 April 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H11ClF3NO4
Net Charge0
Average Mass361.703
Monoisotopic Mass361.03287
SMILESC[C@@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKeyGOCUAJYOYBLQRH-MRVPVSSYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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:
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
haloxyfop-P (CHEBI:47454) has role agrochemical (CHEBI:33286)
haloxyfop-P (CHEBI:47454) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
haloxyfop-P (CHEBI:47454) has role phenoxy herbicide (CHEBI:60575)
haloxyfop-P (CHEBI:47454) is a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694)
haloxyfop-P (CHEBI:47454) is conjugate acid of haloxyfop-P(1−) (CHEBI:136690)
haloxyfop-P (CHEBI:47454) is enantiomer of (S)-haloxyfop (CHEBI:136692)
Incoming Relation(s)
haloxyfop-P-methyl (CHEBI:136729) has functional parent haloxyfop-P (CHEBI:47454)
haloxyfop (CHEBI:365) has part haloxyfop-P (CHEBI:47454)
haloxyfop-P(1−) (CHEBI:136690) is conjugate base of haloxyfop-P (CHEBI:47454)
(S)-haloxyfop (CHEBI:136692) is enantiomer of haloxyfop-P (CHEBI:47454)
IUPAC Name 
(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Synonyms  Source
haloxyfop-RAlan Wood's Pesticides
(R)-haloxyfopChEBI
(+)-haloxyfopChEBI
(R)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acidAlan Wood's Pesticides
(2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acidAlan Wood's Pesticides
(R)-haloxyfop-acidChEBI
Manual XrefsDatabases
H1LPDBeChem
haloxyfop-pAlan Wood's Pesticides
377PPDB
Registry NumbersSources
Reaxys:8571970Reaxys
CAS:95977-29-0ChemIDplus
CAS:95977-29-0Alan Wood's Pesticides
Citations