Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:25:50 UTC
Update Date2022-09-01 01:45:28 UTC
Metabolite IDMMDBc0047444
Metabolite Identification
Common NameTG(12:0/14:0/20:1(13Z))
DescriptionTG(12:0/14:0/20:1(13Z)) 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(12:0/14:0/20:1(13Z)) is made up of one dodecanoyl(R1), one tetradecanoyl(R2), and one 13Z-eicosenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC49H92O6
Average Mass777.269
Monoisotopic Mass776.689390682
IUPAC Name(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl (13Z)-icos-13-enoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl (13Z)-icos-13-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC
InChI Identifier
InChI=1S/C49H92O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h19,21,46H,4-18,20,22-45H2,1-3H3/b21-19-/t46-/m0/s1
InChI KeyIDURVWPFOKKURO-VTVSROECSA-N