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CHEBI:88347 - 15(S)-HEPE

ChEBI IDCHEBI:88347
ChEBI Name15(S)-HEPE
Stars
ASCII Name15(S)-HEPE
DefinitionA 15-HEPE that consists of (5Z,8Z,11Z,13E,17Z)-icosapentaenoic acid in which the 15-hydroxy group has S-configuration.
Last Modified22 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1
InChIKeyWLKCSMCLEKGITB-DBVSHIMFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS253)
Drosophila melanogaster (ncbitaxon:7227) - PubMed (26931457)
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.
ChEBI Ontology
Outgoing Relation(s)
15(S)-HEPE (CHEBI:88347) has role human xenobiotic metabolite (CHEBI:76967)
15(S)-HEPE (CHEBI:88347) is a 15-HEPE (CHEBI:72627)
15(S)-HEPE (CHEBI:88347) is conjugate acid of 15(S)-HEPE(1−) (CHEBI:132087)
15(S)-HEPE (CHEBI:88347) is enantiomer of 15(R)-HEPE (CHEBI:91140)
Incoming Relation(s)
15(S)-HEPE(1−) (CHEBI:132087) is conjugate base of 15(S)-HEPE (CHEBI:88347)
15(R)-HEPE (CHEBI:91140) is enantiomer of 15(S)-HEPE (CHEBI:88347)
IUPAC Name 
(5Z,8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
Synonyms  Source
15S-HEPELIPID MAPS
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acidLIPID MAPS
(5Z,8Z,11Z,13E,15S,17Z)-15-hydroxyicosapentaenoic acidChEBI
Manual XrefsDatabases
LMFA03070009LIPID MAPS
Registry NumbersSources
Reaxys:26880603Reaxys
Citations