CHEBI:72815 - 13-oxo-9E,11E-ODE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13-oxo-9E,11E-ODE
ChEBI ID CHEBI:72815
ChEBI ASCII Name 13-oxo-9E,11E-ODE
Definition An oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:68948
Supplier Information eMolecules:1934501
Download Molfile XML SDF
Formula C18H30O3
Net Charge 0
Average Mass 294.42900
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
InChIKey JHXAZBBVQSRKJR-KDFHGORWSA-N
SMILES CCCCCC(=O)\C=C\C=C\CCCCCCCC(O)=O
Metabolite of Species Details
Carthamus oxyacantha (NCBI:txid122010) Found in aerial part (BTO:0001658). Crude ethanolic extract of aerial parts See: PubMed
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via oxooctadecadienoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13-oxo-9E,11E-ODE (CHEBI:72815) has role metabolite (CHEBI:25212)
13-oxo-9E,11E-ODE (CHEBI:72815) is a 13-oxo-9,11-octadecadienoic acid (CHEBI:136531)
13-oxo-9E,11E-ODE (CHEBI:72815) is a oxo fatty acid (CHEBI:59644)
IUPAC Name
(9E,11E)-13-oxooctadeca-9,11-dienoic acid
Synonym Source
13-OxoODE LIPID MAPS
Manual Xref Database
LMFA02000252 LIPID MAPS
View more database links
Registry Number Type Source
7688957 Reaxys Registry Number Reaxys
Last Modified
13 March 2017
General Comment
2014-10-17 Suggested Classification: ISA:long-chain fatty acid(CHEBI:15904); ISA:unsaturated fatty acid(CHEBI:27208); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:ketone(CHEBI:17087); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384);