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CHEBI:132324 - 20-HETrE

Default Structure
ChEBI IDCHEBI:132324
ChEBI Name20-HETrE
Stars
DefinitionA HETrE that is (5Z,8Z,11Z)-icosatrienoic acid substituted at position 20 by a hydroxy group.
Last Modified24 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESO=C(O)CCC/C=C\C/C=C\C/C=C\CCCCCCCCO
InChIInChI=1S/C20H34O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6,10,12,21H,2,5,7-9,11,13-19H2,(H,22,23)/b3-1-,6-4-,12-10-
InChIKeyLPMWIQNZVQKTBR-DYRGNDFMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (18577768)
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)
20-HETrE (CHEBI:132324) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
20-HETrE (CHEBI:132324) has role human xenobiotic metabolite (CHEBI:76967)
20-HETrE (CHEBI:132324) is a HETrE (CHEBI:72793)
20-HETrE (CHEBI:132324) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
20-HETrE (CHEBI:132324) is conjugate acid of 20-HETrE(1−) (CHEBI:132026)
Incoming Relation(s)
20-HETrE(1−) (CHEBI:132026) is conjugate base of 20-HETrE (CHEBI:132324)
Synonyms  Source
20-hydroxy-(5Z,8Z,11Z)-eicosatrienoic acidChEBI
20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acidChEBI
(5Z,8Z,11Z)-20-hydroxyeicosatrienoic acidChEBI
(5Z,8Z,11Z)-20-hydroxyicosatrienoic acidChEBI
Citations