Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:30:26 UTC
Update Date2022-09-01 01:46:25 UTC
Metabolite IDMMDBc0047535
Metabolite Identification
Common NameTG(12:0/14:0/27:0)
DescriptionTG(12:0/14:0/27:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(12:0/14:0/27:0) is made up of one dodecanoyl(R1), one tetradecanoyl(R2), and one heptacosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC56H108O6
Average Mass877.474
Monoisotopic Mass876.814591198
IUPAC Name(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl heptacosanoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl heptacosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI Identifier
InChI=1S/C56H108O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1
InChI KeyXTVDFJCZFWBZEK-DTSDQNDWSA-N