Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:24:32 UTC
Update Date2022-09-01 01:45:01 UTC
Metabolite IDMMDBc0047419
Metabolite Identification
Common NameTG(12:0/15:1(9Z)/18:1(9Z))
DescriptionTG(12:0/15:1(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(12:0/15:1(9Z)/18:1(9Z)) is made up of one dodecanoyl(R1), one 9Z-pentadecenoyl(R2), and one 9Z-octadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC48H88O6
Average Mass761.226
Monoisotopic Mass760.658090554
IUPAC Name(2S)-3-(dodecanoyloxy)-2-[(9Z)-pentadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
Traditional Name(2S)-3-(dodecanoyloxy)-2-[(9Z)-pentadec-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/CCCCC
InChI Identifier
InChI=1S/C48H88O6/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-22-20-17-14-11-8-5-2/h17,20,23-24,45H,4-16,18-19,21-22,25-44H2,1-3H3/b20-17-,24-23-/t45-/m0/s1
InChI KeyLISFMHUBCGLZDY-ZNJWKLHUSA-N