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CHEBI:90781 - 13-oxo-9Z,11E-ODE(1−)

ChEBI IDCHEBI:90781
ChEBI Name13-oxo-9Z,11E-ODE(1−)
Stars
ASCII Name13-oxo-9Z,11E-ODE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified15 April 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC18H29O3
Net Charge-1
Average Mass293.427
Monoisotopic Mass293.21222
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)/p-1/b9-7-,15-12+
InChIKeyJHXAZBBVQSRKJR-BSZOFBHHSA-M
ChEBI Ontology
Outgoing Relation(s)
13-oxo-9Z,11E-ODE(1−) (CHEBI:90781) is a long-chain fatty acid anion (CHEBI:57560)
13-oxo-9Z,11E-ODE(1−) (CHEBI:90781) is a oxo fatty acid anion (CHEBI:59836)
13-oxo-9Z,11E-ODE(1−) (CHEBI:90781) is a oxooctadecadienoate (CHEBI:133556)
13-oxo-9Z,11E-ODE(1−) (CHEBI:90781) is a polyunsaturated fatty acid anion (CHEBI:76567)
13-oxo-9Z,11E-ODE(1−) (CHEBI:90781) is conjugate base of 13-oxo-9Z,11E-ODE (CHEBI:68947)
Incoming Relation(s)
13-oxo-9Z,11E-ODE (CHEBI:68947) is conjugate acid of 13-oxo-9Z,11E-ODE(1−) (CHEBI:90781)
IUPAC Name 
(9Z,11E)-13-oxooctadeca-9,11-dienoate
Synonyms  Source
(9Z,11E)-13-oxooctadecadienoateChEBI
(Z,E)-13-oxooctadeca-9,11-dienoateChEBI
UniProt Name  Source
13-oxo-(9Z,11E)-octadecadienoateUniProt
Citations