Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:44:54 UTC
Update Date2024-04-30 20:05:26 UTC
Metabolite IDMMDBc0033347
Metabolite Identification
Common NameTG(16:0/16:1(9Z)/18:1(9Z))
DescriptionTG(16:0/16:1(9Z)/18:1(9Z)) is a monooleic 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(16:0/16:1(9Z)/18:1(9Z)), in particular, consists of one chain of palmitic acid at the C-1 position, one chain of palmitoleic 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
Synonyms
ValueSource
(2R)-2-[(9Z)-Hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoateChEBI
1-Hexadecanoyl-2-(9Z-hexadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerolChEBI
1-Palmitoyl-2-palmitoleoyl-3-oleoyl-glycerolChEBI
1-Palmitoyl-2-palmitoleoyl-3-oleoyl-sn-glycerolChEBI
TAG(16:0/16:1/18:1)ChEBI
TAG(16:0/16:1n7/18:1n9)ChEBI
TAG(16:0/16:1W7/18:1W9)ChEBI
TAG(50:2)ChEBI
TG(16:0/16:1(9Z)/18:1(9Z))ChEBI
TG(16:0/16:1/18:1)ChEBI
TG(16:0/16:1/18:1)[iso6]ChEBI
TG(16:0/16:1n7/18:1n9)ChEBI
TG(16:0/16:1W7/18:1W9)ChEBI
TG(50:2)ChEBI
Triacylglycerol(16:0/16:1/18:1)ChEBI
Triacylglycerol(16:0/16:1n7/18:1n9)ChEBI
Triacylglycerol(16:0/16:1W7/18:1W9)ChEBI
Triacylglycerol(50:2)ChEBI
(2R)-2-[(9Z)-Hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoic acidGenerator
TG(16:0/16:1(9Z)/18:1(9Z))[iso6]ChEBI
Molecular FormulaC53H98O6
Average Mass831.3416
Monoisotopic Mass830.736340868
IUPAC Name(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
Traditional Name(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC
InChI Identifier
InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h21,24-26,50H,4-20,22-23,27-49H2,1-3H3/b24-21-,26-25-/t50-/m1/s1
InChI KeyTWJCMQZMAPGUSG-JMFJKIOKSA-N