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CHEBI:746950 - 12-HETrE

ChEBI IDCHEBI:746950
ChEBI Name12-HETrE
Stars
DefinitionA HETrE that is an eicosatrienoic acid in which the hydroxy group is located at the 12-positon.
Last Modified20 November 2025
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCC/C=C\CC(O)/C=C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+
InChIKeyYYIXZLMPKIFFGQ-VHBNVGGOSA-N
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:
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.
ChEBI Ontology
Outgoing Relation(s)
12-HETrE (CHEBI:746950) has role human xenobiotic metabolite (CHEBI:76967)
12-HETrE (CHEBI:746950) is a HETrE (CHEBI:72793)