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CHEBI:171491 - TG(i-19:0/a-17:0/i-12:0)[rac]

ChEBI IDCHEBI:171491
ChEBI NameTG(i-19:0/a-17:0/i-12:0)[rac]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCCC(C)CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C51H98O6/c1-7-47(6)39-33-27-20-16-13-14-18-22-30-36-42-51(54)57-48(44-56-50(53)41-35-29-24-23-26-32-38-46(4)5)43-55-49(52)40-34-28-21-17-12-10-8-9-11-15-19-25-31-37-45(2)3/h45-48H,7-44H2,1-6H3/t47?,48-/m0/s1
InChIKeyOFZXNHXSTIGRFU-HOMNMMCZSA-N
Species of MetaboliteComponentSourceComments
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)
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/a-17:0/i-12:0)[rac] (CHEBI:171491) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-(14-methylhexadecanoyloxy)-3-(10-methylundecanoyloxy)propyl] 17-methyloctadecanoate
Manual XrefsDatabases
74874265ChemSpider
HMDB0110387HMDB