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

ChEBI IDCHEBI:68947
ChEBI Name13-oxo-9Z,11E-ODE
Stars
ASCII Name13-oxo-9Z,11E-ODE
DefinitionAn 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.
Secondary ChEBI IDCHEBI:34155
Last Modified13 March 2017
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=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+
InChIKeyJHXAZBBVQSRKJR-BSZOFBHHSA-N
Species of MetaboliteComponentSourceComments
Carthamus oxyacantha (ncbitaxon:122010) aerial part (BTO:0001658) PubMed (22060189) Crude ethanolic extract of aerial parts
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
13-OxoODEKEGG COMPOUND
13-KODEKEGG COMPOUND
13-keto-9Z,11E-octadecadienoic acidLIPID MAPS
13-Oxo-ODELIPID MAPS
13-ketoODEChEBI
13-oxoODEChEBI
Manual XrefsDatabases
C14765KEGG COMPOUND
HMDB0004668HMDB
LMFA02000016LIPID MAPS
Registry NumbersSources
Reaxys:5337674Reaxys
CAS:54739-30-9ChemIDplus