Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:31:16 UTC
Update Date2022-09-01 01:46:33 UTC
Metabolite IDMMDBc0047550
Metabolite Identification
Common NameTG(12:0/15:0/27:0)
DescriptionTG(12:0/15:0/27:0) 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(12:0/15:0/27:0) is made up of one dodecanoyl(R1), one pentadecanoyl(R2), and one heptacosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC57H110O6
Average Mass891.501
Monoisotopic Mass890.830241262
IUPAC Name(2S)-3-(dodecanoyloxy)-2-(pentadecanoyloxy)propyl heptacosanoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-(pentadecanoyloxy)propyl heptacosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C57H110O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)63-57(60)51-48-45-42-39-35-22-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1
InChI KeyOTDPSRWYTWZVHS-XSMLMOGHSA-N