EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171530 - TG(i-19:0/i-13:0/16:0)

ChEBI IDCHEBI:171530
ChEBI NameTG(i-19:0/i-13:0/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98O6
Net Charge0
Average Mass807.339
Monoisotopic Mass806.73634
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C
InChIInChI=1S/C51H98O6/c1-6-7-8-9-10-11-12-14-18-21-26-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-25-30-35-40-47(4)5)45-56-50(53)42-37-32-27-22-19-16-13-15-17-20-24-29-34-39-46(2)3/h46-48H,6-45H2,1-5H3/t48-/m1/s1
InChIKeyDOBLRTVZKCDICC-QSCHNALKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;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/i-13:0/16:0) (CHEBI:171530) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-hexadecanoyloxy-2-(11-methyldodecanoyloxy)propyl] 17-methyloctadecanoate
Manual XrefsDatabases
74873734ChemSpider
HMDB0109854HMDB