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CHEBI:89570 - 9-HEPE

ChEBI IDCHEBI:89570
ChEBI Name9-HEPE
Stars
DefinitionA HEPE that is (5Z,7E,11Z,14Z,17Z)-icosapentaenoic acid carrying a hydroxy substituent at position 9.
Last Modified6 February 2017
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\CCCC(=O)O
InChIInChI=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+
InChIKeyOXOPDAZWPWFJEW-IMCWFPBLSA-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:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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)
9-HEPE (CHEBI:89570) has role marine metabolite (CHEBI:76507)
9-HEPE (CHEBI:89570) is a HEPE (CHEBI:72799)
9-HEPE (CHEBI:89570) is conjugate acid of 9-HEPE(1−) (CHEBI:133307)
Incoming Relation(s)
9-HEPE(1−) (CHEBI:133307) is conjugate base of 9-HEPE (CHEBI:89570)
IUPAC Name 
(5Z,7E,11Z,14Z,17Z)-9-hydroxyicosa-5,7,11,14,17-pentaenoic acid
Manual XrefsDatabases
LMFA03070029LIPID MAPS
Citations