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CHEBI:171497 - TG(i-19:0/16:0/a-13:0)[rac]

ChEBI IDCHEBI:171497
ChEBI NameTG(i-19:0/16:0/a-13:0)[rac]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC
InChIInChI=1S/C51H98O6/c1-6-8-9-10-11-12-13-15-20-23-26-33-38-43-51(54)57-48(45-56-50(53)42-37-32-28-27-30-35-40-47(5)7-2)44-55-49(52)41-36-31-25-22-19-17-14-16-18-21-24-29-34-39-46(3)4/h46-48H,6-45H2,1-5H3/t47?,48-/m0/s1
InChIKeyLCXBACNDUHPGAQ-HOMNMMCZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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]
ChEBI Ontology
Outgoing Relation(s)
TG(i-19:0/16:0/a-13:0)[rac] (CHEBI:171497) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-(10-methyldodecanoyloxy)propyl] 17-methyloctadecanoate
Manual XrefsDatabases
HMDB0110277HMDB
74874157ChemSpider