Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:28:39 UTC
Update Date2022-09-01 01:45:57 UTC
Metabolite IDMMDBc0047502
Metabolite Identification
Common NameTG(10:0/12:0/29:0)
DescriptionTG(10:0/12:0/29:0) 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(10:0/12:0/29:0) is made up of one decanoyl(R1), one dodecanoyl(R2), and one nonacosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC54H104O6
Average Mass849.42
Monoisotopic Mass848.783291069
IUPAC Name(2S)-3-(decanoyloxy)-2-(dodecanoyloxy)propyl nonacosanoate
Traditional Name(2S)-3-(decanoyloxy)-2-(dodecanoyloxy)propyl nonacosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI Identifier
InChI=1S/C54H104O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-15-12-9-6-3)60-54(57)48-45-42-39-35-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1
InChI KeyJTEDGYIUFBBQTM-XHIZWQFQSA-N