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CHEBI:195401 - 12(S)-HEPE(1−)

ChEBI IDCHEBI:195401
ChEBI Name12(S)-HEPE(1−)
Stars
ASCII Name12(S)-HEPE(1-)
DefinitionA hydroxyeicosapentaenoate that is the conjugate base of 12(S)-HEPE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC20H29O3
Net Charge-1
Average Mass317.449
Monoisotopic Mass317.21222
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=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)/p-1/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKeyMCRJLMXYVFDXLS-UOLHMMFFSA-M
ChEBI Ontology
Outgoing Relation(s)
12(S)-HEPE(1−) (CHEBI:195401) is a HEPE(1−) (CHEBI:131874)
12(S)-HEPE(1−) (CHEBI:195401) is conjugate base of 12(S)-HEPE (CHEBI:88345)
Incoming Relation(s)
12(S)-HEPE (CHEBI:88345) is conjugate acid of 12(S)-HEPE(1−) (CHEBI:195401)
UniProt Name  Source
(12S)-hydroxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoateUniProt
Citations