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CHEBI:171507 - TG(i-19:0/i-17:0/i-12:0)

ChEBI IDCHEBI:171507
ChEBI NameTG(i-19:0/i-17:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCC(C)CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C51H98O6/c1-45(2)37-31-25-19-15-11-8-7-9-13-17-21-28-34-40-49(52)55-43-48(44-56-50(53)41-35-29-24-23-27-33-39-47(5)6)57-51(54)42-36-30-22-18-14-10-12-16-20-26-32-38-46(3)4/h45-48H,7-44H2,1-6H3/t48-/m0/s1
InChIKeyFSSINAPTBNSVCZ-DYVQZXGMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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)
ChEBI Ontology
Outgoing Relation(s)
TG(i-19:0/i-17:0/i-12:0) (CHEBI:171507) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-(15-methylhexadecanoyloxy)-3-(10-methylundecanoyloxy)propyl] 17-methyloctadecanoate
Manual XrefsDatabases
74874273ChemSpider
HMDB0110395HMDB