CHEBI:88359 - 5(S)-HETrE

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ChEBI Name 5(S)-HETrE
ChEBI ID CHEBI:88359
ChEBI ASCII Name 5(S)-HETrE
Definition A 5-HETrE consisting of (6E,8Z,11Z)-icosatrienoic acid in which the 5-hydroxy group has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H34O3
Net Charge 0
Average Mass 322.483
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey LSADDRSUZRRBAN-FDSUASFTSA-N
SMILES C(CCC(O)=O)[C@@H](/C=C/C=C\C/C=C\CCCCCCCC)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): 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 5-HETrE )
(via HETrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5(S)-HETrE (CHEBI:88359) has role human xenobiotic metabolite (CHEBI:76967)
5(S)-HETrE (CHEBI:88359) is a 5-HETrE (CHEBI:72856)
IUPAC Name
(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
Synonyms Sources
(5S,6E,8Z,11Z)-5-hydroxyeicosatrienoic acid ChEBI
(5S,6E,8Z,11Z)-5-hydroxyicosatrienoic acid ChEBI
5S-HETrE LIPID MAPS
5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid LIPID MAPS
Manual Xref Database
LMFA03050005 LIPID MAPS
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Registry Number Type Source
14529493 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24056189 PubMed citation Europe PMC
Last Modified
08 June 2016