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CHEBI:72644 - 15-HETrE

ChEBI IDCHEBI:72644
ChEBI Name15-HETrE
Stars
DefinitionA hydroxyeicosatrienoic acid that consists of 8Z,11Z,13E-icosatrienoic acid bearing an additional 15-hydroxy substituent.
Last Modified7 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCCC(O)/C=C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=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+
InChIKeyIUKXMNDGTWTNTP-RHDCIPCHSA-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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
15-HETrE (CHEBI:72644) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
15-HETrE (CHEBI:72644) has role metabolite (CHEBI:25212)
15-HETrE (CHEBI:72644) is a HETrE (CHEBI:72793)
Incoming Relation(s)
15(S)-HETrE (CHEBI:88348) is a 15-HETrE (CHEBI:72644)
IUPAC Name 
(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid
Synonyms  Source
15-hydroxy-8Z,11Z,13E-eicosatrienoic acidChEBI
(8Z,11Z,13E)-15-hydroxyeicosa-8,11,13-trienoic acidChEBI
15-hydroxy-8Z,11Z,13E-icosatrienoic acidChEBI
15-hydroxyeicosa-8Z,11Z,13E-trienoic acidChEBI
15-hydroxyicosa-8Z,11Z,13E-trienoic acidChEBI
Registry NumbersSources
Reaxys:2700264Reaxys
Reaxys:22960808Reaxys