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CHEBI:72802 - 18-HEPE

ChEBI IDCHEBI:72802
ChEBI Name18-HEPE
Stars
DefinitionA hydroxyicosapentaenoic acid that consists of 5Z,8Z,11Z,14Z,16E-icosapentaenoic acid with the hydroxy group located at position 18.
Last Modified22 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+
InChIKeyLRWYBGFSVUBWMO-UXNZXXPISA-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:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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)
18-HEPE (CHEBI:72802) has role human xenobiotic metabolite (CHEBI:76967)
18-HEPE (CHEBI:72802) is a HEPE (CHEBI:72799)
18-HEPE (CHEBI:72802) is conjugate acid of 18-HEPE(1−) (CHEBI:90825)
Incoming Relation(s)
18(R)-HEPE (CHEBI:81563) is a 18-HEPE (CHEBI:72802)
18(S)-HEPE (CHEBI:132801) is a 18-HEPE (CHEBI:72802)
18-HEPE(1−) (CHEBI:90825) is conjugate base of 18-HEPE (CHEBI:72802)
IUPAC Name 
(5Z,8Z,11Z,14Z,16E)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid
Synonyms  Source
(±)-18-HEPELIPID MAPS
(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA03070033LIPID MAPS
Registry NumbersSources
Reaxys:14339377Reaxys