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CHEBI:179082 - DG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]

Default Structure
ChEBI IDCHEBI:179082
ChEBI NameDG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O5
Net Charge0
Average Mass653.001
Monoisotopic Mass652.50668
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)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C42H68O5/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/h5,7,11,13,16-19,21-22,25,27,31,33,40,43H,3-4,6,8-10,12,14-15,20,23-24,26,28-30,32,34-39H2,1-2H3/b7-5-,13-11-,18-16-,19-17-,22-21-,27-25-,33-31-/t40-/m0/s1
InChIKeyPWBCZWDSNXYDHD-PQPWWEBKSA-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(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] (CHEBI:179082) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-[(Z)-heptadec-9-enoyl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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