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

ChEBI IDCHEBI:72815
ChEBI Name13-oxo-9E,11E-ODE
Stars
ASCII Name13-oxo-9E,11E-ODE
DefinitionAn oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13.
Secondary ChEBI IDCHEBI:68948
Last Modified13 March 2017
Submittermwilliams
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-KDFHGORWSA-N
Species of MetaboliteComponentSourceComments
Carthamus oxyacantha (ncbitaxon:122010) aerial part (BTO:0001658) PubMed (22060189) Crude ethanolic extract of aerial parts
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.
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-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-OxoODELIPID MAPS
Manual XrefsDatabases
LMFA02000252LIPID MAPS
Registry NumbersSources
Reaxys:7688957Reaxys