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CHEBI:90867 - 14-oxo-DoHE(1−)

ChEBI IDCHEBI:90867
ChEBI Name14-oxo-DoHE(1−)
Stars
ASCII Name14-oxo-DoHE(1-)
DefinitionA polyunsaturated hydroxy-fatty acid anion that is the conjugate base of 14-oxo-DoHE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified23 February 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\C/C=C\CC(=O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H30O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+
InChIKeyCTOFGDVNVOUNPL-BGKMTWLOSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (25586183)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
14-oxo-DoHE(1−) (CHEBI:90867) has role human xenobiotic metabolite (CHEBI:76967)
14-oxo-DoHE(1−) (CHEBI:90867) is a long-chain fatty acid anion (CHEBI:57560)
14-oxo-DoHE(1−) (CHEBI:90867) is a oxo fatty acid anion (CHEBI:59836)
14-oxo-DoHE(1−) (CHEBI:90867) is a oxodocosahexaenoate (CHEBI:133526)
14-oxo-DoHE(1−) (CHEBI:90867) is a polyunsaturated fatty acid anion (CHEBI:76567)
14-oxo-DoHE(1−) (CHEBI:90867) is conjugate base of 14-oxo-DoHE (CHEBI:91293)
Incoming Relation(s)
14-oxo-DoHE (CHEBI:91293) is conjugate acid of 14-oxo-DoHE(1−) (CHEBI:90867)
IUPAC Name 
(4Z,7Z,10Z,12E,16Z,19Z)-14-oxodocosa-4,7,10,12,16,19-hexaenoate
UniProt Name  Source
14-oxo-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoateUniProt
Citations