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CHEBI:132083 - 18(S)-HEPE(1−)

ChEBI IDCHEBI:132083
ChEBI Name18(S)-HEPE(1−)
Stars
ASCII Name18(S)-HEPE(1-)
DefinitionAn 18-HEPE(1−) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
Last Modified22 July 2016
Submitternhn
DownloadsMolfile
FormulaC20H29O3
Net Charge-1
Average Mass317.449
Monoisotopic Mass317.21222
SMILESCC[C@H](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)/p-1/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1
InChIKeyLRWYBGFSVUBWMO-OKIFYYRFSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
18(S)-HEPE(1−) (CHEBI:132083) is a 18-HEPE(1−) (CHEBI:90825)
18(S)-HEPE(1−) (CHEBI:132083) is conjugate base of 18(S)-HEPE (CHEBI:132801)
18(S)-HEPE(1−) (CHEBI:132083) is enantiomer of 18(R)-HEPE(1−) (CHEBI:90818)
Incoming Relation(s)
18(S)-HEPE (CHEBI:132801) is conjugate acid of 18(S)-HEPE(1−) (CHEBI:132083)
18(R)-HEPE(1−) (CHEBI:90818) is enantiomer of 18(S)-HEPE(1−) (CHEBI:132083)
IUPAC Name 
(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
Synonym  Source
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoateChEBI
UniProt Name  Source
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoateUniProt
Citations