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CHEBI:191306 - DG(17:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:191306
ChEBI NameDG(17:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74O5
Net Charge0
Average Mass659.049
Monoisotopic Mass658.55363
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H74O5/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/h11,13,17,19,21-22,25,27,40,43H,3-10,12,14-16,18,20,23-24,26,28-39H2,1-2H3/b13-11-,19-17-,22-21-,27-25-/t40-/m0/s1
InChIKeyZVNYNKTXZBJOGG-DEIJHTCZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(17:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] (CHEBI:191306) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
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