Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:21:55 UTC
Update Date2022-09-01 01:44:34 UTC
Metabolite IDMMDBc0047368
Metabolite Identification
Common NameTG(12:0/15:1(9Z)/16:0)
DescriptionTG(12:0/15:1(9Z)/16:0) 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(12:0/15:1(9Z)/16:0) is made up of one dodecanoyl(R1), one 9Z-pentadecenoyl(R2), and one hexadecanoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC46H86O6
Average Mass735.188
Monoisotopic Mass734.642440489
IUPAC Name(2S)-3-(dodecanoyloxy)-2-[(9Z)-pentadec-9-enoyloxy]propyl hexadecanoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-[(9Z)-pentadec-9-enoyloxy]propyl hexadecanoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCC
InChI Identifier
InChI=1S/C46H86O6/c1-4-7-10-13-16-19-21-23-25-27-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)52-46(49)40-37-34-31-28-24-22-20-17-14-11-8-5-2/h17,20,43H,4-16,18-19,21-42H2,1-3H3/b20-17-/t43-/m0/s1
InChI KeyJWGZWEZUFXQCPJ-NWIPRYQKSA-N