EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178948 - TG(8:0/i-21:0/a-15:0)[rac]

ChEBI IDCHEBI:178948
ChEBI NameTG(8:0/i-21:0/a-15:0)[rac]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H90O6
Net Charge0
Average Mass751.231
Monoisotopic Mass750.67374
SMILESCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C47H90O6/c1-6-8-9-25-32-37-45(48)51-40-44(41-52-46(49)38-33-28-23-20-19-22-27-31-36-43(5)7-2)53-47(50)39-34-29-24-18-16-14-12-10-11-13-15-17-21-26-30-35-42(3)4/h42-44H,6-41H2,1-5H3/t43?,44-/m0/s1
InChIKeyZSGALVHUYHVSNR-GGEHFJKESA-N
ChEBI Ontology
Outgoing Relation(s)
TG(8:0/i-21:0/a-15:0)[rac] (CHEBI:178948) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-(12-methyltetradecanoyloxy)-3-octanoyloxypropan-2-yl] 19-methylicosanoate
Manual XrefsDatabases
HMDB0072445HMDB
59673872ChemSpider