Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:20:32 UTC
Update Date2022-09-01 01:44:15 UTC
Metabolite IDMMDBc0047340
Metabolite Identification
Common NameTG(10:0/15:1(9Z)/15:1(9Z))
DescriptionTG(10:0/15:1(9Z)/15:1(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(10:0/15:1(9Z)/15:1(9Z)) is made up of one decanoyl(R1), one 9Z-pentadecenoyl(R2), and one 9Z-pentadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC43H78O6
Average Mass691.091
Monoisotopic Mass690.579840232
IUPAC Name(2S)-1-(decanoyloxy)-3-[(9Z)-pentadec-9-enoyloxy]propan-2-yl (9Z)-pentadec-9-enoate
Traditional Name(2S)-1-(decanoyloxy)-3-[(9Z)-pentadec-9-enoyloxy]propan-2-yl (9Z)-pentadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCC
InChI Identifier
InChI=1S/C43H78O6/c1-4-7-10-13-16-18-20-22-24-27-30-33-36-42(45)48-39-40(38-47-41(44)35-32-29-26-15-12-9-6-3)49-43(46)37-34-31-28-25-23-21-19-17-14-11-8-5-2/h16-19,40H,4-15,20-39H2,1-3H3/b18-16-,19-17-/t40-/m0/s1
InChI KeyXAUNNVFDPJUIKK-WJDOIKSMSA-N