CHEBI:88348 - 15(S)-HETrE

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ChEBI Name 15(S)-HETrE
ChEBI ID CHEBI:88348
ChEBI ASCII Name 15(S)-HETrE
Definition A 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1934501
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Formula C20H34O3
Net Charge 0
Average Mass 322.483
Monoisotopic Mass 322.25079
InChI InChI=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
InChIKey IUKXMNDGTWTNTP-OAHXIXLCSA-N
SMILES C(CCC(O)=O)CCC/C=C\C\C=C/C=C/[C@H](CCCCC)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 15-HETrE )
(via HETrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
IUPAC Name
(8Z,11Z,13E,15S)-15-hydroxyicosa-8,11,13-trienoic acid
Synonyms Sources
(8Z,11Z,13E,15S)-15-hydroxyicosatrienoic acid ChEBI
15-HETrE HMDB
15-Hydroxy-(8Z,11Z,13E)-eicosatrienoic acid HMDB
15-Hydroxy-cis,cis,trans-8,11,13-eicosatrienoic acid HMDB
15-Hydroxyeicosatrienoic acid HMDB
15S-HETrE HMDB
15S-Hydroxy-8Z,11Z,13E-eicosatrienoic acid HMDB
Manual Xrefs Databases
HMDB0005045 HMDB
LMFA03050007 LIPID MAPS
View more database links
Registry Numbers Types Sources
13-16-1 CAS Registry Number HMDB
2700265 Reaxys Registry Number Reaxys
Citations Types Sources
12445673 PubMed citation Europe PMC
15197770 PubMed citation Europe PMC
24494566 PubMed citation Europe PMC
Last Modified
07 June 2016