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CHEBI:191307 - DG(17:0/22:3(10Z,13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:191307
ChEBI NameDG(17:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H76O5
Net Charge0
Average Mass661.065
Monoisotopic Mass660.56928
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H76O5/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/h11,13,17,19,21-22,40,43H,3-10,12,14-16,18,20,23-39H2,1-2H3/b13-11-,19-17-,22-21-/t40-/m0/s1
InChIKeyGNKWHWKQCVZWDQ-LFUVTTOQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
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(17:0/22:3(10Z,13Z,16Z)/0:0)[iso2] (CHEBI:191307) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Manual XrefsDatabases
7822751ChemSpider
LMGL02010136LIPID MAPS