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13-oxo-9Z,11E-ODE(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_90781

A 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.

Term info

Label

13-oxo-9Z,11E-ODE(1-)

Synonyms
  • (9Z,11E)-13-oxooctadeca-9,11-dienoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(9Z,11E)-13-oxooctadeca-9,11-dienoate [ IUPAC ]

charge

-1

formula

C18H29O3

has obo namespace

chebi_ontology

has related synonym

(9Z,11E)-13-oxooctadecadienoate, 13-oxo-(9Z,11E)-octadecadienoate, (Z,E)-13-oxooctadeca-9,11-dienoate

id

CHEBI:90781

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)/p-1/b9-7-,15-12+

inchikey

JHXAZBBVQSRKJR-BSZOFBHHSA-M

mass

293.422

monoisotopicmass

293.21222

smiles

C(CCCC([O-])=O)CCC/C=C\C=C\C(CCCCC)=O