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CHEBI:178488 - DG(18:1n7/0:0/22:6n3)

ChEBI IDCHEBI:178488
ChEBI NameDG(18:1n7/0:0/22:6n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70O5
Net Charge0
Average Mass667.028
Monoisotopic Mass666.52233
SMILESCC/C=C\C/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\CCCCCC
InChIInChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t41-/m1/s1
InChIKeyIPJYPLOTNXCEAB-VYXKUJIYSA-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(18:1n7/0:0/22:6n3) (CHEBI:178488) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0056196HMDB
74854551ChemSpider