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CHEBI:178991 - DG(22:2n6/0:0/20:5n3)

ChEBI IDCHEBI:178991
ChEBI NameDG(22:2n6/0:0/20:5n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74O5
Net Charge0
Average Mass695.082
Monoisotopic Mass694.55363
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC/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/h6,8,11-14,17-20,25,27,31,33,43,46H,3-5,7,9-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
InChIKeyIFKJKLZCVKHINU-BMUOJEPESA-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(22:2n6/0:0/20:5n3) (CHEBI:178991) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
74854690ChemSpider
HMDB0056348HMDB