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CHEBI:170274 - DG(20:0/0:0/i-12:0)

ChEBI IDCHEBI:170274
ChEBI NameDG(20:0/0:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H68O5
Net Charge0
Average Mass568.924
Monoisotopic Mass568.50668
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1
InChIKeyKLOWESKCHNOSOH-MGBGTMOVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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(20:0/0:0/i-12:0) (CHEBI:170274) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] icosanoate
Manual XrefsDatabases
59692185ChemSpider
HMDB0093106HMDB