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CHEBI:72801 - 5-HEPE

ChEBI IDCHEBI:72801
ChEBI Name5-HEPE
Stars
DefinitionA hydroxyicosapentaenoic acid that consists of 6E,8Z,11Z,14Z,17Z-icosapentaenoic acid with the hydroxy group located at position 5.
Last Modified20 January 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+
InChIKeyFTAGQROYQYQRHF-FCWZHQICSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
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:
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.
ChEBI Ontology
Outgoing Relation(s)
5-HEPE (CHEBI:72801) has role mouse metabolite (CHEBI:75771)
5-HEPE (CHEBI:72801) is a HEPE (CHEBI:72799)
5-HEPE (CHEBI:72801) is conjugate acid of 5-HEPE(1−) (CHEBI:90737)
Incoming Relation(s)
5-HEPE(1−) (CHEBI:90737) is conjugate base of 5-HEPE (CHEBI:72801)
IUPAC Name 
(6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
Synonyms  Source
(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acidLIPID MAPS
(±)-5-HEPELIPID MAPS
Manual XrefsDatabases
LMFA03070027LIPID MAPS
HMDB0005081HMDB
Registry NumbersSources
Reaxys:8641363Reaxys
CAS:83952-40-3ChemIDplus