Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:22:52 UTC
Update Date2022-09-01 01:44:44 UTC
Metabolite IDMMDBc0047387
Metabolite Identification
Common NameTG(10:0/16:0/18:1(9Z))
DescriptionTG(10:0/16:0/18:1(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(10:0/16:0/18:1(9Z)) is made up of one decanoyl(R1), one hexadecanoyl(R2), and one 9Z-octadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC47H88O6
Average Mass749.215
Monoisotopic Mass748.658090554
IUPAC Name(2S)-3-(decanoyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
Traditional Name(2S)-3-(decanoyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C47H88O6/c1-4-7-10-13-16-18-20-22-23-25-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-15-12-9-6-3)53-47(50)41-38-35-32-29-27-24-21-19-17-14-11-8-5-2/h22-23,44H,4-21,24-43H2,1-3H3/b23-22-/t44-/m0/s1
InChI KeyPBCMCGPSXULJSG-ABRYTUDFSA-N