Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:45:36 UTC
Update Date2024-04-30 20:05:55 UTC
Metabolite IDMMDBc0033365
Metabolite Identification
Common NameTG(16:1(9Z)/18:0/18:1(9Z))
DescriptionTG(16:1(9Z)/18:0/18:1(9Z)) is a monostearic acid triglyceride. Triglycerides (TGs or TAGs) are also known as triacylglycerols or triacylglycerides, meaning that they are glycerides in which the glycerol is esterified with three fatty acid groups (i.e. fatty acid trimesters of glycerol). TGs may be divided into three general types with respect to their acyl substituents. They are simple or monoacid if they contain only one type of fatty acid, diacid if they contain two types of fatty acids and triacid if three different acyl groups. Chain lengths of the fatty acids in naturally occurring triglycerides can be of varying lengths and saturations but 16, 18 and 20 carbons are the most common. TG(16:1(9Z)/18:0/18:1(9Z)), in particular, consists of one chain of palmitoleic acid at the C-1 position, one chain of stearic acid at the C-2 position and one chain of oleic acid at the C-3 position. TGs are the main constituent of vegetable oil and animal fats. They contain more than twice the energy (9 kcal/g) of carbohydrates and proteins. (www.cyberlipid.org, www.wikipedia.org)
Structure
SynonymsNot Available
Molecular FormulaC55H102O6
Average Mass859.3948
Monoisotopic Mass858.767640996
IUPAC Name(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate
Traditional Name(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
InChI Identifier
InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,52H,4-20,22-23,26,28-51H2,1-3H3/b24-21-,27-25-/t52-/m1/s1
InChI KeySZXNLYZNXCGSMY-JWVPJFKJSA-N