Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:43:51 UTC
Update Date2022-08-31 22:35:05 UTC
Metabolite IDMMDBc0033321
Metabolite Identification
Common NameTG(12:0/14:0/16:1(9Z))
DescriptionTG(12:0/14:0/16:1(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(12:0/14:0/16:1(9Z)) is made up of one dodecanoyl(R1), one tetradecanoyl(R2), and one 9Z-hexadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC45H84O6
Average Mass721.161
Monoisotopic Mass720.626790425
IUPAC Name(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-hexadec-9-enoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-hexadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC
InChI Identifier
InChI=1S/C45H84O6/c1-4-7-10-13-16-19-21-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-25-18-15-12-9-6-3)51-45(48)39-36-33-30-27-23-20-17-14-11-8-5-2/h19,21,42H,4-18,20,22-41H2,1-3H3/b21-19-/t42-/m0/s1
InChI KeyPMWOTNASJLOLJE-ZLFXSBRJSA-N