Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:23:41 UTC
Update Date2022-09-01 01:44:52 UTC
Metabolite IDMMDBc0047402
Metabolite Identification
Common NameTG(14:1(9Z)/15:0/15:1(9Z))
DescriptionTG(14:1(9Z)/15:0/15:1(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(14:1(9Z)/15:0/15:1(9Z)) is made up of one 9Z-tetradecenoyl(R1), one pentadecanoyl(R2), and one 9Z-pentadecenoyl(R3).
Structure
SynonymsNot Available
Molecular FormulaC47H86O6
Average Mass747.199
Monoisotopic Mass746.642440489
IUPAC Name(2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-pentadec-9-enoate
Traditional Name(2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-pentadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,44H,4-14,17,20-43H2,1-3H3/b18-15-,19-16-/t44-/m0/s1
InChI KeyAPPYOFODYHFZMF-KNSRULCOSA-N