Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:32:49 UTC
Update Date2022-09-01 01:46:48 UTC
Metabolite IDMMDBc0047583
Metabolite Identification
Common NameTG(12:0/16:0/28:0)
DescriptionTG(12:0/16:0/28:0) 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(12:0/16:0/28:0) is made up of one dodecanoyl(R1), one hexadecanoyl(R2), and one octacosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC59H114O6
Average Mass919.555
Monoisotopic Mass918.861541391
IUPAC Name(2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octacosanoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octacosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C59H114O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-22-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1
InChI KeyQUHUFYLJLOJVIM-UWGNJQTFSA-N