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CHEBI:90815 - (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate

ChEBI IDCHEBI:90815
ChEBI Name(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate
Stars
ASCII Name(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate
DefinitionA hydroxy polyunsaturated fatty acid anion that is the conjugate base of 13-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified22 February 2018
Submitternhn
DownloadsMolfile
FormulaC22H31O3
Net Charge-1
Average Mass343.487
Monoisotopic Mass343.22787
SMILESCC/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKeySEVOKGDVLLIUMT-SKSHMZPZSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (12391014)
Homo sapiens (ncbitaxon:9606) - PubMed (12391014)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) has role mouse metabolite (CHEBI:75771)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) is a hydroxy fatty acid anion (CHEBI:59835)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) is a hydroxydocosahexaenoate (CHEBI:131867)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) is a long-chain fatty acid anion (CHEBI:57560)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) is a polyunsaturated fatty acid anion (CHEBI:76567)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) is conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608)
Incoming Relation(s)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608) is conjugate acid of (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815)
IUPAC Name 
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosa-4,7,10,14,16,19-hexaenoate
Synonyms  Source
13-HDHA(1−)SUBMITTER
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoateChEBI
13-HDoHE(1−)ChEBI
UniProt Name  Source
13-hydroxy-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoateUniProt
Citations