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CHEBI:191297 - DG(17:0/20:3(8Z,11Z,14Z)/0:0)[iso2]

ChEBI IDCHEBI:191297
ChEBI NameDG(17:0/20:3(8Z,11Z,14Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H72O5
Net Charge0
Average Mass633.011
Monoisotopic Mass632.53798
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,38,41H,3-10,12,14-16,18,20,22,24-37H2,1-2H3/b13-11-,19-17-,23-21-/t38-/m0/s1
InChIKeyNODXHXGVYXQOBW-XCEQCKEVSA-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(17:0/20:3(8Z,11Z,14Z)/0:0)[iso2] (CHEBI:191297) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
LMGL02010076LIPID MAPS
7822692ChemSpider