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CHEBI:64095 - 5,6-Ep-15S-HETE

ChEBI IDCHEBI:64095
ChEBI Name5,6-Ep-15S-HETE
Stars
ASCII Name5,6-Ep-15S-HETE
DefinitionAn oxylipin that is the (5S,6S)-epoxy-(15S)-hydroxy derivative of 7E,9E,11Z,13E-icosa-7,9,11,13-tetraenoic acid.
Last Modified21 May 2012
Submittermwilliams
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
InChIKeyYNHSGCYEQVDEOY-UZDWIPAXSA-N
Roles Classification
Chemical Role:
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)
5,6-Ep-15S-HETE (CHEBI:64095) has role metabolite (CHEBI:25212)
5,6-Ep-15S-HETE (CHEBI:64095) is a long-chain fatty acid (CHEBI:15904)
5,6-Ep-15S-HETE (CHEBI:64095) is a oxylipin (CHEBI:61121)
5,6-Ep-15S-HETE (CHEBI:64095) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
4-{(2S,3S)-3-[(1E,3E,5Z,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraen-1-yl]oxiran-2-yl}butanoic acid
Synonyms  Source
5,6-EpoxytetraeneKEGG COMPOUND
(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyeicosa-7,9,11,13-tetraenoic acidKEGG COMPOUND
(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyicosa-7,9,11,13-tetraenoic acidKEGG COMPOUND
5S,6S-epoxy-15S-hydroxy-7E,9E,11Z,13E-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
C14815KEGG COMPOUND
LMFA03060075LIPID MAPS
Registry NumbersSources
Reaxys:4701572Reaxys