clodinafop (CHEBI:132841)

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ChEBI Name	clodinafop

ChEBI ID	CHEBI:132841

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Barrie Walker

Supplier Information

Download	Molfile XML SDF

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Formula

C14H11ClFNO4

Net Charge

Average Mass

311.693

Monoisotopic Mass

311.03606

InChI

InChI=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

InChIKey

YUIKUTLBPMDDNQ-MRVPVSSYSA-N

SMILES

C=1C(=C(N=CC1Cl)OC=2C=CC(=CC2)O[C@@H](C(O)=O)C)F

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor An EC 6.4.1.* (C1C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2).

Application(s):	phenoxy herbicide Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.

ChEBI Ontology
Outgoing	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	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	Sources
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid	SUBMITTER
(R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionic acid	SUBMITTER
(R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propionic acid	SUBMITTER

Last Modified

18 November 2019