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CHEBI:178355 - DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0)

ChEBI IDCHEBI:178355
ChEBI NameDG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O5
Net Charge0
Average Mass626.963
Monoisotopic Mass626.49103
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)CCCCCCCCCCCCCC
InChIInChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t38-/m0/s1
InChIKeyXMMHGWPJHMYQFM-XCPKOXQZSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0) (CHEBI:178355) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0007764HMDB
24766423ChemSpider