CHEBI:89570 - 9-HEPE

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ChEBI Name 9-HEPE
ChEBI ID CHEBI:89570
Definition A HEPE that is (5Z,7E,11Z,14Z,17Z)-icosapentaenoic acid carrying a hydroxy substituent at position 9.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1934501
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Formula C20H30O3
Net Charge 0
Average Mass 318.451
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+
InChIKey OXOPDAZWPWFJEW-IMCWFPBLSA-N
SMILES C(\CC)=C\C/C=C\C/C=C\CC(/C=C/C=C\CCCC(=O)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): 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.
(via HEPE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
LMFA03070029 LIPID MAPS
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Citation Type Source
24668940 PubMed citation Europe PMC
Last Modified
06 February 2017