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CHEBI:196761 - DG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]

ChEBI IDCHEBI:196761
ChEBI NameDG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O5
Net Charge0
Average Mass655.017
Monoisotopic Mass654.52233
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,40,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-39H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t40-/m0/s1
InChIKeyKKRPAKUPOHNEJH-NUHJYUEBSA-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(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] (CHEBI:196761) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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