CHEBI:72645 - 12-HEPE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-HEPE
ChEBI ID CHEBI:72645
Definition A hydroxyicosapentaenoic acid that consists of 5Z,8Z,10E,14Z,17Z-icosapentaenoic acid bearing an additional 12-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+
InChIKey MCRJLMXYVFDXLS-QGQBRVLBSA-N
SMILES C(\CC)=C\C/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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 12-HEPE (CHEBI:72645) has role mouse metabolite (CHEBI:75771)
12-HEPE (CHEBI:72645) is a HEPE (CHEBI:72799)
12-HEPE (CHEBI:72645) is conjugate acid of 12-HEPE(1−) (CHEBI:133303)
Incoming 12(S)-HEPE (CHEBI:88345) is a 12-HEPE (CHEBI:72645)
12-HEPE(1−) (CHEBI:133303) is conjugate base of 12-HEPE (CHEBI:72645)
IUPAC Name
(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid
Synonyms Sources
(±)-12-HEPE LIPID MAPS
(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid LIPID MAPS
(5Z,8Z,10E,14Z,17Z)-12-hydroxyeicosa-5,8,10,14,17-pentaenoic acid ChEBI
12-hydroxy-5Z,8Z,10E,14Z,17Z-icosapentaenoic acid ChEBI
12-hydroxyicosa-(5Z,8Z,10E,14Z,17Z)-pentaenoic acid HMDB
Manual Xrefs Databases
HMDB0010202 HMDB
LMFA03070031 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
31353262 PubMed citation Europe PMC
Last Modified
07 July 2020