EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178940 - TG(8:0/i-19:0/i-17:0)

ChEBI IDCHEBI:178940
ChEBI NameTG(8:0/i-19:0/i-17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H90O6
Net Charge0
Average Mass751.231
Monoisotopic Mass750.67374
SMILESCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C47H90O6/c1-6-7-8-25-32-37-45(48)51-40-44(41-52-46(49)38-33-28-23-19-16-12-14-18-22-27-31-36-43(4)5)53-47(50)39-34-29-24-20-15-11-9-10-13-17-21-26-30-35-42(2)3/h42-44H,6-41H2,1-5H3/t44-/m0/s1
InChIKeyKIFBIBIXIPEVLY-SJARJILFSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(8:0/i-19:0/i-17:0) (CHEBI:178940) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-(15-methylhexadecanoyloxy)-3-octanoyloxypropan-2-yl] 17-methyloctadecanoate
Manual XrefsDatabases
59673809ChemSpider
HMDB0072382HMDB