EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170276 - DG(20:0/i-12:0/0:0)

ChEBI IDCHEBI:170276
ChEBI NameDG(20:0/i-12:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H68O5
Net Charge0
Average Mass568.924
Monoisotopic Mass568.50668
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=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)39-31-33(30-36)40-35(38)29-26-23-20-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1
InChIKeyYSALGHXAHAGLGK-XIFFEERXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) 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/i-12:0/0:0) (CHEBI:170276) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-(10-methylundecanoyloxy)propyl] icosanoate
Manual XrefsDatabases
74858545ChemSpider
HMDB0094131HMDB