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CHEBI:136526 - (14S)-HDoHE(1−)

ChEBI IDCHEBI:136526
ChEBI Name(14S)-HDoHE(1−)
Stars
ASCII Name(14S)-HDoHE(1-)
DefinitionA 14-HDoHE(1−) that is the conjugate base of (14S)-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified7 June 2017
Submitternhn
DownloadsMolfile
FormulaC22H31O3
Net Charge-1
Average Mass343.487
Monoisotopic Mass343.22787
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
InChIKeyZNEBXONKCYFJAF-OUKOMXQNSA-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)
(14S)-HDoHE(1−) (CHEBI:136526) is a 14-HDoHE(1−) (CHEBI:90866)
(14S)-HDoHE(1−) (CHEBI:136526) is conjugate base of (14S)-HDoHE (CHEBI:137347)
(14S)-HDoHE(1−) (CHEBI:136526) is enantiomer of (14R)-HDoHE(1−) (CHEBI:136525)
Incoming Relation(s)
(14S)-HDoHE (CHEBI:137347) is conjugate acid of (14S)-HDoHE(1−) (CHEBI:136526)
(14R)-HDoHE(1−) (CHEBI:136525) is enantiomer of (14S)-HDoHE(1−) (CHEBI:136526)
IUPAC Name 
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate
Synonyms  Source
(14S)-HDHA(1−)SUBMITTER
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosahexaenoateChEBI
14(S)-HDoHE(1−)ChEBI
UniProt Name  Source
(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoateUniProt
Citations