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CHEBI:90823 - 13-HPODE(1−)

ChEBI IDCHEBI:90823
ChEBI Name13-HPODE(1−)
Stars
ASCII Name13-HPODE(1-)
DefinitionA 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.
Last Modified9 September 2024
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC18H31O4
Net Charge-1
Average Mass311.442
Monoisotopic Mass311.22278
SMILESCCCCCC(/C=C/C=C\CCCCCCCC(=O)[O-])OO
InChIInChI=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+
InChIKeyJDSRHVWSAMTSSN-BSZOFBHHSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (10542053)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
13-HPODE(1−) (CHEBI:90823) has role human xenobiotic metabolite (CHEBI:76967)
13-HPODE(1−) (CHEBI:90823) is a HPODE(1−) (CHEBI:131862)
13-HPODE(1−) (CHEBI:90823) is conjugate base of 13-HPODE (CHEBI:91272)
Incoming Relation(s)
13(R)-HPODE(1−) (CHEBI:133985) is a 13-HPODE(1−) (CHEBI:90823)
13(S)-HPODE(1−) (CHEBI:57466) is a 13-HPODE(1−) (CHEBI:90823)
13-HPODE (CHEBI:91272) is conjugate acid of 13-HPODE(1−) (CHEBI:90823)
IUPAC Name 
(9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate
UniProt Name  Source
13-hydroperoxy-(9Z,11E)-octadecadienoateUniProt
Citations