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CHEBI:178999 - DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)

ChEBI IDCHEBI:178999
ChEBI NameDG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)
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\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C45H74O5/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/h5,7,11,13,17-20,22,24,27,29,33,35,43,46H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1
InChIKeyBLHHWMIUSFZRBK-SOCOUZEWSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0) (CHEBI:178999) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[(Z)-icos-11-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0007775HMDB
24766434ChemSpider