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CHEBI:72847 - 15-HEDE

ChEBI IDCHEBI:72847
ChEBI Name15-HEDE
Stars
DefinitionA hydroxyeicosadienoic acid that consists of 11Z,13E-eicosatrienoic acid bearing a 15-hydroxy substituent. It is produced by non-enzymatic oxidation of 11,14-eicosadienoic acid. There are no reports in the literature of biological activity associated with 15-HEDE.
Last Modified17 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC20H36O3
Net Charge0
Average Mass324.505
Monoisotopic Mass324.26645
SMILESCCCCCC(O)/C=C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
InChIKeyZTRWPEHMGCHTIT-QWAPPMFBSA-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-HEDE (CHEBI:72847) has role metabolite (CHEBI:25212)
15-HEDE (CHEBI:72847) is a HEDE (CHEBI:72848)
Incoming Relation(s)
15-oxoEDE (CHEBI:72844) has functional parent 15-HEDE (CHEBI:72847)
IUPAC Name 
(11Z,13E)-15-hydroxyicosa-11,13-dienoic acid
Synonyms  Source
15-hydroxy-11Z,13E-eicosadienoic acidChEBI
(±)-15-HEDEChEBI
Registry NumbersSources
Reaxys:3059012Reaxys