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CHEBI:88348 - 15(S)-HETrE

ChEBI IDCHEBI:88348
ChEBI Name15(S)-HETrE
Stars
ASCII Name15(S)-HETrE
DefinitionA 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration.
Last Modified7 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCC[C@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1
InChIKeyIUKXMNDGTWTNTP-OAHXIXLCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS253)
Mus musculus (ncbitaxon:10090) - PubMed (24494566)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
15(S)-HETrE (CHEBI:88348) has role human xenobiotic metabolite (CHEBI:76967)
15(S)-HETrE (CHEBI:88348) has role mouse metabolite (CHEBI:75771)
15(S)-HETrE (CHEBI:88348) is a 15-HETrE (CHEBI:72644)
Incoming Relation(s)
15(S)-HETrE(1-) (CHEBI:747159) is conjugate base of 15(S)-HETrE (CHEBI:88348)
IUPAC Name 
(8Z,11Z,13E,15S)-15-hydroxyicosa-8,11,13-trienoic acid
Synonyms  Source
15-HETrEHMDB
15-Hydroxy-(8Z,11Z,13E)-eicosatrienoic acidHMDB
15-Hydroxy-cis,cis,trans-8,11,13-eicosatrienoic acidHMDB
15-Hydroxyeicosatrienoic acidHMDB
15S-HETrEHMDB
15S-Hydroxy-8Z,11Z,13E-eicosatrienoic acidHMDB
Manual XrefsDatabases
HMDB0005045HMDB
LMFA03050007LIPID MAPS
Registry NumbersSources
Reaxys:2700265Reaxys
CAS:13-16-1HMDB
Citations