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CHEBI:178740 - DG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]

ChEBI IDCHEBI:178740
ChEBI NameDG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H72O5
Net Charge0
Average Mass681.055
Monoisotopic Mass680.53798
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\CCCCCCCCC
InChIInChI=1S/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-24,27,29,33,35,42,45H,3-4,6,8-10,12,14-16,18,21,25-26,28,30-32,34,36-41H2,1-2H3/b7-5-,13-11-,19-17-,23-22-,24-20-,29-27-,35-33-/t42-/m0/s1
InChIKeyGVDWHUXJHYSGAZ-GDEIQWSKSA-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(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] (CHEBI:178740) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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