Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:23:27 UTC
Update Date2022-09-01 01:44:50 UTC
Metabolite IDMMDBc0047398
Metabolite Identification
Common NameTG(12:0/14:1(9Z)/18:1(9Z))
DescriptionTG(12:0/14:1(9Z)/18:1(9Z)) 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(12:0/14:1(9Z)/18:1(9Z)) is made up of one dodecanoyl(R1), one 9Z-tetradecenoyl(R2), and one 9Z-octadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC47H86O6
Average Mass747.199
Monoisotopic Mass746.642440489
IUPAC Name(2S)-3-(dodecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC
InChI Identifier
InChI=1S/C47H86O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h14,17,22-23,44H,4-13,15-16,18-21,24-43H2,1-3H3/b17-14-,23-22-/t44-/m0/s1
InChI KeyMBDIKHHUXKJHDN-QHRRKSMMSA-N