EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178869 - TG(8:0/16:0/i-20:0)

ChEBI IDCHEBI:178869
ChEBI NameTG(8:0/16:0/i-20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H90O6
Net Charge0
Average Mass751.231
Monoisotopic Mass750.67374
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C47H90O6/c1-5-7-9-11-12-13-14-17-22-25-28-32-36-40-47(50)53-44(41-51-45(48)38-34-29-10-8-6-2)42-52-46(49)39-35-31-27-24-21-19-16-15-18-20-23-26-30-33-37-43(3)4/h43-44H,5-42H2,1-4H3/t44-/m0/s1
InChIKeyQRRGPXCYFVAJJQ-SJARJILFSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(8:0/16:0/i-20:0) (CHEBI:178869) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-octanoyloxypropyl] 18-methylnonadecanoate
Manual XrefsDatabases
59672617ChemSpider