CHEBI:68947 - 13-oxo-9Z,11E-ODE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13-oxo-9Z,11E-ODE
ChEBI ID CHEBI:68947
ChEBI ASCII Name 13-oxo-9Z,11E-ODE
Definition An oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34155
Supplier Information No supplier information found for this compound.
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Formula C18H30O3
Net Charge 0
Average Mass 294.430
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-BSZOFBHHSA-N
SMILES C(CCCC(O)=O)CCC\C=C/C=C/C(CCCCC)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
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 )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13-oxo-9Z,11E-ODE (CHEBI:68947) has functional parent 13-HODE (CHEBI:72639)
13-oxo-9Z,11E-ODE (CHEBI:68947) has role metabolite (CHEBI:25212)
13-oxo-9Z,11E-ODE (CHEBI:68947) has role mouse metabolite (CHEBI:75771)
13-oxo-9Z,11E-ODE (CHEBI:68947) is a 13-oxo-9,11-octadecadienoic acid (CHEBI:136531)
13-oxo-9Z,11E-ODE (CHEBI:68947) is conjugate acid of 13-oxo-9Z,11E-ODE(1−) (CHEBI:90781)
Incoming 13-oxo-9Z,11E-ODE(1−) (CHEBI:90781) is conjugate base of 13-oxo-9Z,11E-ODE (CHEBI:68947)
IUPAC Name
(9Z,11E)-13-oxooctadeca-9,11-dienoic acid
Synonyms Sources
13-keto-9Z,11E-octadecadienoic acid LIPID MAPS
13-ketoODE ChEBI
13-KODE KEGG COMPOUND
13-Oxo-ODE LIPID MAPS
13-OxoODE KEGG COMPOUND
13-oxoODE ChEBI
Manual Xrefs Databases
C14765 KEGG COMPOUND
HMDB0004668 HMDB
LMFA02000016 LIPID MAPS
View more database links
Registry Numbers Types Sources
5337674 Reaxys Registry Number Reaxys
54739-30-9 CAS Registry Number ChemIDplus
Last Modified
13 March 2017