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CHEBI:170332 - DG(16:0/0:0/i-16:0)

ChEBI IDCHEBI:170332
ChEBI NameDG(16:0/0:0/i-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H68O5
Net Charge0
Average Mass568.924
Monoisotopic Mass568.50668
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1
InChIKeyXNJBPCACZSSANV-MGBGTMOVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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(16:0/0:0/i-16:0) (CHEBI:170332) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-(14-methylpentadecanoyloxy)propyl] hexadecanoate
Manual XrefsDatabases
HMDB0093643HMDB
59692716ChemSpider