Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:32:58 UTC
Update Date2024-04-30 20:28:07 UTC
Metabolite IDMMDBc0047586
Metabolite Identification
Common NameTG(12:0/22:0/22:0)
DescriptionTG(12:0/22:0/22:0) 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(12:0/22:0/22:0) is made up of one dodecanoyl(R1), one docosanoyl(R2), and one docosanoyl(R3).
Structure
Synonyms
ValueSource
Tracylglycerol(56:0)Lipid Annotator, HMDB
TriacylglycerolLipid Annotator, HMDB
TAG(56:0)Lipid Annotator, HMDB
1-dodecanoyl-2-behenoyl-3-behenoyl-glycerolLipid Annotator, HMDB
TriglycerideLipid Annotator, HMDB
TG(12:0/22:0/22:0)Lipid Annotator
TAG(12:0/22:0/22:0)Lipid Annotator, HMDB
TG(56:0)Lipid Annotator, HMDB
1-dodecanoyl-2-docosanoyl-3-docosanoyl-glycerolLipid Annotator, HMDB
Tracylglycerol(12:0/22:0/22:0)Lipid Annotator, HMDB
Molecular FormulaC59H114O6
Average Mass919.555
Monoisotopic Mass918.861541391
IUPAC Name(2S)-1-(docosanoyloxy)-3-(dodecanoyloxy)propan-2-yl docosanoate
Traditional Name(2S)-1-(docosanoyloxy)-3-(dodecanoyloxy)propan-2-yl docosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C59H114O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1
InChI KeyPNJYKLQHZIBEEN-UWGNJQTFSA-N