EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:747161 - 8(S)-HETrE(1-)

Default Structure
ChEBI IDCHEBI:747161
ChEBI Name8(S)-HETrE(1-)
Stars
DefinitionAn icosatrienoate bearing an additional 8(S)-hydroxy substituent. Major microspecies at pH 7.3
Last Modified14 January 2026
Submitterlaimo
DownloadsMolfile
FormulaC20H33O3
Net Charge-1
Average Mass321.481
Monoisotopic Mass321.24352
SMILESCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCC(=O)[O-]
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,16-13+/t19-/m1/s1
InChIKeySKIQVURLERJJCK-RDCCVJQZSA-M
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 Role:
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)
8(S)-HETrE(1-) (CHEBI:747161) is a HETrE (CHEBI:72793)
8(S)-HETrE(1-) (CHEBI:747161) is conjugate base of 8(S)-HETrE (CHEBI:140473)
Synonym  Source
FA 20:3(9E,11Z,14Z;8OH)SUBMITTER
UniProt Name  Source
(8S)-hydroxy-(9E,11Z,14Z)-icosatrienoateUniProt