Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:20:29 UTC
Update Date2022-09-01 01:44:14 UTC
Metabolite IDMMDBc0047339
Metabolite Identification
Common NameTG(10:0/14:1(9Z)/16:1(9Z))
DescriptionTG(10:0/14:1(9Z)/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(10:0/14:1(9Z)/16:1(9Z)) is made up of one decanoyl(R1), one 9Z-tetradecenoyl(R2), and one 9Z-hexadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC43H78O6
Average Mass691.091
Monoisotopic Mass690.579840232
IUPAC Name(2S)-3-(decanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate
Traditional Name(2S)-3-(decanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC
InChI Identifier
InChI=1S/C43H78O6/c1-4-7-10-13-16-18-20-21-23-24-27-30-33-36-42(45)48-39-40(38-47-41(44)35-32-29-26-15-12-9-6-3)49-43(46)37-34-31-28-25-22-19-17-14-11-8-5-2/h14,17-18,20,40H,4-13,15-16,19,21-39H2,1-3H3/b17-14-,20-18-/t40-/m0/s1
InChI KeyPDTVYYHVGPOPKW-PMGKMRPYSA-N