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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5,6-Ep-15S-HETE
ChEBI ID CHEBI:64095
ChEBI ASCII Name 5,6-Ep-15S-HETE
Definition An oxylipin that is the (5S,6S)-epoxy-(15S)-hydroxy derivative of 7E,9E,11Z,13E-icosa-7,9,11,13-tetraenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information eMolecules:593953, ZINC000012496015
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.44980
Monoisotopic Mass 334.21441
InChI InChI=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
InChIKey YNHSGCYEQVDEOY-UZDWIPAXSA-N
SMILES CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyeicosa-7,9,11,13-tetraenoic acid KEGG COMPOUND
(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyicosa-7,9,11,13-tetraenoic acid KEGG COMPOUND
5,6-Epoxytetraene KEGG COMPOUND
5S,6S-epoxy-15S-hydroxy-7E,9E,11Z,13E-eicosatetraenoic acid LIPID MAPS
Manual Xrefs Databases
C14815 KEGG COMPOUND
LMFA03060075 LIPID MAPS
View more database links
Registry Number Type Source
4701572 Reaxys Registry Number Reaxys
Last Modified
21 May 2012