EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178427 - DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)

ChEBI IDCHEBI:178427
ChEBI NameDG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76O5
Net Charge0
Average Mass697.098
Monoisotopic Mass696.56928
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,43,46H,3-10,15-16,21,23,25-26,28,30-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1
InChIKeyVECKEBHJYOVSDY-XOAJDLJMSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0) (CHEBI:178427) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0007689HMDB
24766353ChemSpider