Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:19:47 UTC
Update Date2022-09-01 01:44:02 UTC
Metabolite IDMMDBc0047324
Metabolite Identification
Common NameTG(10:0/14:0/14:1(9Z))
DescriptionTG(10:0/14:0/14:1(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(10:0/14:0/14:1(9Z)) is made up of one decanoyl(R1), one tetradecanoyl(R2), and one 9Z-tetradecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC41H76O6
Average Mass665.053
Monoisotopic Mass664.564190167
IUPAC Name(2S)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-tetradec-9-enoate
Traditional Name(2S)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-tetradec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC
InChI Identifier
InChI=1S/C41H76O6/c1-4-7-10-13-16-18-20-22-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-24-15-12-9-6-3)47-41(44)35-32-29-26-23-21-19-17-14-11-8-5-2/h13,16,38H,4-12,14-15,17-37H2,1-3H3/b16-13-/t38-/m0/s1
InChI KeyAOCYBYHWXQEIFU-OIUYJQMASA-N