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CHEBI:171529 - TG(i-19:0/i-13:0/i-16:0)

ChEBI IDCHEBI:171529
ChEBI NameTG(i-19:0/i-13:0/i-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCC(C)CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C
InChIInChI=1S/C51H98O6/c1-45(2)37-31-25-19-14-10-8-7-9-11-16-22-28-34-40-49(52)55-43-48(57-51(54)42-36-30-24-18-21-27-33-39-47(5)6)44-56-50(53)41-35-29-23-17-13-12-15-20-26-32-38-46(3)4/h45-48H,7-44H2,1-6H3/t48-/m0/s1
InChIKeyNQNVCWWFADLWJQ-DYVQZXGMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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]
ChEBI Ontology
Outgoing Relation(s)
TG(i-19:0/i-13:0/i-16:0) (CHEBI:171529) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-(11-methyldodecanoyloxy)-3-(14-methylpentadecanoyloxy)propyl] 17-methyloctadecanoate
Manual XrefsDatabases
HMDB0109855HMDB
74873735ChemSpider