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CHEBI:171502 - TG(i-19:0/16:0/i-13:0)

ChEBI IDCHEBI:171502
ChEBI NameTG(i-19:0/16:0/i-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C
InChIInChI=1S/C51H98O6/c1-6-7-8-9-10-11-12-14-19-22-27-33-38-43-51(54)57-48(45-56-50(53)42-37-32-28-23-25-30-35-40-47(4)5)44-55-49(52)41-36-31-26-21-18-16-13-15-17-20-24-29-34-39-46(2)3/h46-48H,6-45H2,1-5H3/t48-/m0/s1
InChIKeyVUBBDROCTUJMMK-DYVQZXGMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(i-19:0/16:0/i-13:0) (CHEBI:171502) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-(11-methyldodecanoyloxy)propyl] 17-methyloctadecanoate
Manual XrefsDatabases
HMDB0110272HMDB
74874152ChemSpider