EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178854 - TG(10:0/21:0/i-13:0)

ChEBI IDCHEBI:178854
ChEBI NameTG(10:0/21:0/i-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H90O6
Net Charge0
Average Mass751.231
Monoisotopic Mass750.67374
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCC(C)C
InChIInChI=1S/C47H90O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-27-32-36-40-47(50)53-44(41-51-45(48)38-34-30-25-12-10-8-6-2)42-52-46(49)39-35-31-28-24-26-29-33-37-43(3)4/h43-44H,5-42H2,1-4H3/t44-/m0/s1
InChIKeyJTPGMIOZMTZUBO-SJARJILFSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(10:0/21:0/i-13:0) (CHEBI:178854) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-decanoyloxy-3-(11-methyldodecanoyloxy)propan-2-yl] henicosanoate
Manual XrefsDatabases
HMDB0071330HMDB
59672771ChemSpider