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CHEBI:178734 - DG(20:2n6/0:0/22:5n6)

ChEBI IDCHEBI:178734
ChEBI NameDG(20:2n6/0:0/22:5n6)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74O5
Net Charge0
Average Mass695.082
Monoisotopic Mass694.55363
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/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/h11-14,17-20,22,24,28,30,34,36,43,46H,3-10,15-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m1/s1
InChIKeyGDGAEVSMBGRHRC-GGMVMZAFSA-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(20:2n6/0:0/22:5n6) (CHEBI:178734) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
74854659ChemSpider
HMDB0056314HMDB