Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:25:42 UTC
Update Date2022-09-01 01:45:26 UTC
Metabolite IDMMDBc0047441
Metabolite Identification
Common NameTG(10:0/16:1(9Z)/20:0)
DescriptionTG(10:0/16:1(9Z)/20:0) 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(10:0/16:1(9Z)/20:0) is made up of one decanoyl(R1), one 9Z-hexadecenoyl(R2), and one eicosanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC49H92O6
Average Mass777.269
Monoisotopic Mass776.689390682
IUPAC Name(2S)-3-(decanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl icosanoate
Traditional Name(2S)-3-(decanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl icosanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC
InChI Identifier
InChI=1S/C49H92O6/c1-4-7-10-13-16-18-20-22-23-24-25-27-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-15-12-9-6-3)55-49(52)43-40-37-34-31-29-26-21-19-17-14-11-8-5-2/h19,21,46H,4-18,20,22-45H2,1-3H3/b21-19-/t46-/m0/s1
InChI KeyKNECXENCOULDJQ-VTVSROECSA-N