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CHEBI:171504 - TG(19:0/17:0/i-12:0)

ChEBI IDCHEBI:171504
ChEBI NameTG(19:0/17:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C51H98O6/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-34-38-42-49(52)55-45-48(46-56-50(53)43-39-35-32-31-33-37-41-47(3)4)57-51(54)44-40-36-30-28-26-23-20-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3/t48-/m0/s1
InChIKeyWBVWGSQMEJQCLV-DYVQZXGMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;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(19:0/17:0/i-12:0) (CHEBI:171504) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-heptadecanoyloxy-3-(10-methylundecanoyloxy)propyl] nonadecanoate
Manual XrefsDatabases
HMDB0110398HMDB
74874276ChemSpider