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CHEBI:15558 - 15(S)-HETE

ChEBI IDCHEBI:15558
ChEBI Name15(S)-HETE
Stars
ASCII Name15(S)-HETE
DefinitionAn optically active form of 15-HETE having 15(S)-configuration..
Secondary ChEBI IDsCHEBI:147, CHEBI:10824, CHEBI:18507
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
InChIKeyJSFATNQSLKRBCI-VAEKSGALSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (18494609)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
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).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
15(S)-HETE (CHEBI:15558) has role human metabolite (CHEBI:77746)
15(S)-HETE (CHEBI:15558) has role mouse metabolite (CHEBI:75771)
15(S)-HETE (CHEBI:15558) is a (5Z,8Z,11Z,13E)-15-HETE (CHEBI:64017)
15(S)-HETE (CHEBI:15558) is conjugate acid of 15(S)-HETE(1−) (CHEBI:57409)
15(S)-HETE (CHEBI:15558) is enantiomer of 15(R)-HETE (CHEBI:63989)
Incoming Relation(s)
15(S)-HETE(1−) (CHEBI:57409) is conjugate base of 15(S)-HETE (CHEBI:15558)
15(R)-HETE (CHEBI:63989) is enantiomer of 15(S)-HETE (CHEBI:15558)
IUPAC Name 
(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid
INN  Source
icomucretChemIDplus
Synonyms  Source
(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoateKEGG COMPOUND
(15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoateKEGG COMPOUND
(15S)-15-hydroxy-5,8,11-cis-13-trans-eicosatetraenoateChEBI
(15S)-15-hydroxy-5,8,11-cis-13-trans-icosatetraenoateChEBI
(5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acidKEGG COMPOUND
15(S)-HETEKEGG COMPOUND
Manual XrefsDatabases
C04742KEGG COMPOUND
C04742KEGG COMPOUND
LMFA03060001LIPID MAPS
HMDB0003876HMDB
D08931KEGG DRUG
Registry NumbersSources
Beilstein:2470466Beilstein
Reaxys:6125815Reaxys
CAS:54845-95-3KEGG COMPOUND
CAS:54845-95-3ChemIDplus
Citations