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13-HPODE(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_90823

A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

Term info

Label

13-HPODE(1-)

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

3_STAR

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

charge

-1

formula

C18H31O4

has obo namespace

chebi_ontology

has related synonym

13-hydroperoxy-(9Z,11E)-octadecadienoate

id

CHEBI:90823

inchi

InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+

inchikey

JDSRHVWSAMTSSN-BSZOFBHHSA-M

mass

311.437

monoisotopicmass

311.22278

smiles

C(CCCCCCC/C=C\C=C\C(CCCCC)OO)(=O)[O-]