EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195403 - (17S)-HDHA(1−)

ChEBI IDCHEBI:195403
ChEBI Name(17S)-HDHA(1−)
Stars
ASCII Name(17S)-HDHA(1-)
DefinitionA hydroxydocosahexaenoate that is the conjugate base of (17S)-HDHA, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC22H31O3
Net Charge-1
Average Mass343.487
Monoisotopic Mass343.22787
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1
InChIKeySWTYBBUBEPPYCX-YTQNUIGOSA-M
ChEBI Ontology
Outgoing Relation(s)
(17S)-HDHA(1−) (CHEBI:195403) is a hydroxydocosahexaenoate (CHEBI:131867)
UniProt Name  Source
(17S)-hydroxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoateUniProt
Citations