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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate
ChEBI ID CHEBI:90815
ChEBI ASCII Name (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C22H31O3
Net Charge -1
Average Mass 343.481
Monoisotopic Mass 343.22787
InChI InChI=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+
InChIKey SEVOKGDVLLIUMT-SKSHMZPZSA-M
SMILES C(C([O-])=O)C/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CC)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate ChEBI
13-HDHA(1−) SUBMITTER
13-HDoHE(1−) ChEBI
13-hydroxy-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoate UniProt
Citation Waiting for Citations Type Source
12391014 PubMed citation SUBMITTER
Last Modified
22 February 2018