EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178992 - DG(20:3n6/0:0/22:4n6)

ChEBI IDCHEBI:178992
ChEBI NameDG(20:3n6/0:0/22:4n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74O5
Net Charge0
Average Mass695.082
Monoisotopic Mass694.55363
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,43,46H,3-10,15-16,21,23,26,29,31-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m1/s1
InChIKeyUFQWVBNHTUGKBU-JYTWUVQDSA-N
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(20:3n6/0:0/22:4n6) (CHEBI:178992) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
74854668ChemSpider
HMDB0056324HMDB