Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:32:10 UTC
Update Date2022-09-01 01:46:42 UTC
Metabolite IDMMDBc0047569
Metabolite Identification
Common NameTG(12:0/18:0/25:0)
DescriptionTG(12:0/18:0/25:0) 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(12:0/18:0/25:0) is made up of one dodecanoyl(R1), one octadecanoyl(R2), and one pentacosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC58H112O6
Average Mass905.528
Monoisotopic Mass904.845891326
IUPAC Name(2S)-3-(dodecanoyloxy)-2-(octadecanoyloxy)propyl pentacosanoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-(octadecanoyloxy)propyl pentacosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C58H112O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-33-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-32-24-22-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1
InChI KeyPQAOKWWYBXJSIM-GNFJTHHVSA-N