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CHEBI:178493 - DG(22:4n6/0:0/18:3n3)

ChEBI IDCHEBI:178493
ChEBI NameDG(22:4n6/0:0/18:3n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70O5
Net Charge0
Average Mass667.028
Monoisotopic Mass666.52233
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCC/C=C\C/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/h6,8,11-14,17-19,21-23,26,28,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
InChIKeyQGHCVXKVIUFMDQ-BQSGGISSSA-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(22:4n6/0:0/18:3n3) (CHEBI:178493) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2S)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0056353HMDB
74854694ChemSpider