CHEBI:165275 - 9S-HEPE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 9S-HEPE
ChEBI ID CHEBI:165275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
InChIKey OXOPDAZWPWFJEW-FPRWAWDYSA-N
SMILES O[C@@H](C/C=C\C/C=C\C/C=C\CC)/C=C/C=C\CCCC(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.
(via HEPE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9S-HEPE (CHEBI:165275) is a HEPE (CHEBI:72799)
IUPAC Name
(5Z,7E,9S,11Z,14Z,17Z)-9-hydroxyicosa-5,7,11,14,17-pentaenoic acid
Manual Xrefs Databases
4446309 ChemSpider
LMFA03070004 LIPID MAPS
View more database links