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CHEBI:178267 - DG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)

ChEBI IDCHEBI:178267
ChEBI NameDG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O5
Net Charge0
Average Mass612.936
Monoisotopic Mass612.47538
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,28,30,37,40H,3-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1
InChIKeyVJQIPMXNHWLHEJ-WCNLUZKGSA-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(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) (CHEBI:178267) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0007061HMDB
24765895ChemSpider