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CHEBI:132921 - clodinafop-propargyl

ChEBI IDCHEBI:132921
ChEBI Nameclodinafop-propargyl
Stars
DefinitionA carboxylic ester resulting from the formal condensation of the carboxy group of clodinafop with the hydroxy group of prop-2-yn-1-ol. It is widely used as a herbicide for the control of annual grass weeds in cereal crops.
Last Modified5 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H13ClFNO4
Net Charge0
Average Mass349.745
Monoisotopic Mass349.05171
SMILESC#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
InChIKeyJBDHZKLJNAIJNC-LLVKDONJSA-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.
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
clodinafop-propargyl (CHEBI:132921) has functional parent clodinafop (CHEBI:132841)
clodinafop-propargyl (CHEBI:132921) has functional parent prop-2-yn-1-ol (CHEBI:28905)
clodinafop-propargyl (CHEBI:132921) has role agrochemical (CHEBI:33286)
clodinafop-propargyl (CHEBI:132921) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
clodinafop-propargyl (CHEBI:132921) has role herbicide (CHEBI:24527)
clodinafop-propargyl (CHEBI:132921) is a aromatic ether (CHEBI:35618)
clodinafop-propargyl (CHEBI:132921) is a carboxylic ester (CHEBI:33308)
clodinafop-propargyl (CHEBI:132921) is a organochlorine compound (CHEBI:36683)
clodinafop-propargyl (CHEBI:132921) is a organofluorine compound (CHEBI:37143)
clodinafop-propargyl (CHEBI:132921) is a propyzamide (CHEBI:34935)
clodinafop-propargyl (CHEBI:132921) is a pyridines (CHEBI:26421)
IUPAC Name 
prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate
Synonyms  Source
prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionateAlan Wood's Pesticides
2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoateAlan Wood's Pesticides
(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl esterChemIDplus
clodinafop propargyl esterChEBI
Brand Name  Source
TopikChemIDplus
Manual XrefsDatabases
derivatives/clodinafop-propargylAlan Wood's Pesticides
EP248968Patent
US47133109Patent
165PPDB
Registry NumbersSources
Reaxys:8857008Reaxys
CAS:105512-06-9ChemIDplus
CAS:105512-06-9Alan Wood's Pesticides
Citations