Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:34:12 UTC
Update Date2022-09-01 01:47:03 UTC
Metabolite IDMMDBc0047613
Metabolite Identification
Common NameTG(16:0/16:0/25:0)
DescriptionTG(16:0/16:0/25:0) 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(16:0/16:0/25:0) is made up of one hexadecanoyl(R1), one hexadecanoyl(R2), and one pentacosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC60H116O6
Average Mass933.582
Monoisotopic Mass932.877191455
IUPAC Name(2S)-2,3-bis(hexadecanoyloxy)propyl pentacosanoate
Traditional Name(2S)-2,3-bis(hexadecanoyloxy)propyl pentacosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-35-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1
InChI KeyJTCXWBLPPZUAQV-SMWREMLRSA-N