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CHEBI:196760 - DG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]

ChEBI IDCHEBI:196760
ChEBI NameDG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/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\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCCC
InChIInChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-23,25,29,31,40,43H,3-4,6,8-10,12,14-16,18,21,24,26-28,30,32-39H2,1-2H3/b7-5-,13-11-,19-17-,22-20-,25-23-,31-29-/t40-/m0/s1
InChIKeySZIFSKASRSYUOB-KJTLXHPMSA-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)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] (CHEBI:196760) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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