EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:141494 - N-docosahexaenoyl GABA

ChEBI IDCHEBI:141494
ChEBI NameN-docosahexaenoyl GABA
Stars
Last Modified24 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC26H39NO3
Net Charge0
Average Mass413.602
Monoisotopic Mass413.29299
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCCC(=O)O
InChIInChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)27-24-21-23-26(29)30/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-24H2,1H3,(H,27,28)(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyHZMSBMNSIHSLPJ-KUBAVDMBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-docosahexaenoyl GABA (CHEBI:141494) is a N-acyl-γ-aminobutyric acid (CHEBI:134018)
IUPAC Name 
4-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino}butanoic acid
Manual XrefsDatabases
HMDB0062332HMDB
LMFA08020105LIPID MAPS