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CHEBI:132841 - clodinafop

ChEBI IDCHEBI:132841
ChEBI Nameclodinafop
Stars
DefinitionAn aromatic ether that is (R)-lactic acid in which the hydroxy group at position 2 has been converted to the corresponding p-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenyl ether. It is the parent acid of the herbicide clodinafop-propargyl.
Last Modified18 November 2019
SubmitterBarrie Walker
DownloadsMolfile
FormulaC14H11ClFNO4
Net Charge0
Average Mass311.696
Monoisotopic Mass311.03606
SMILESC[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)O
InChIInChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeyYUIKUTLBPMDDNQ-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).
Application:
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
clodinafop (CHEBI:132841) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
clodinafop (CHEBI:132841) has role phenoxy herbicide (CHEBI:60575)
clodinafop (CHEBI:132841) is a aromatic ether (CHEBI:35618)
clodinafop (CHEBI:132841) is a monocarboxylic acid (CHEBI:25384)
clodinafop (CHEBI:132841) is a organochlorine compound (CHEBI:36683)
clodinafop (CHEBI:132841) is a organofluorine compound (CHEBI:37143)
clodinafop (CHEBI:132841) is a pyridines (CHEBI:26421)
Incoming Relation(s)
clodinafop-propargyl (CHEBI:132921) has functional parent clodinafop (CHEBI:132841)
IUPAC Name 
(2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoic acid
Synonyms  Source
(R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionic acidSUBMITTER
(R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propionic acidSUBMITTER
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acidSUBMITTER
Manual XrefsDatabases
clodinafopAlan Wood's Pesticides
1416PPDB
Registry NumbersSources
Reaxys:10562170Reaxys
CAS:114420-56-3ChemIDplus
Citations