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CHEBI:178492 - DG(18:3n6/0:0/22:4n6)

Default Structure
ChEBI IDCHEBI:178492
ChEBI NameDG(18:3n6/0:0/22:4n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70O5
Net Charge0
Average Mass667.028
Monoisotopic Mass666.52233
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
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/h11-14,17-19,21-23,26-29,41,44H,3-10,15-16,20,24-25,30-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m1/s1
InChIKeyKEZUNYSAKKEQCU-DHOKBDEJSA-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(18:3n6/0:0/22:4n6) (CHEBI:178492) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2S)-2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
74854647ChemSpider
HMDB0056301HMDB