Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:45:08 UTC
Update Date2024-04-30 20:05:34 UTC
Metabolite IDMMDBc0033353
Metabolite Identification
Common NameTG(16:0/18:1(9Z)/20:0)
DescriptionTG(16:0/18:1(9Z)/20:0) is a monoarachidic 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(16:0/18:1(9Z)/20:0), in particular, consists of one chain of palmitic acid at the C-1 position, one chain of oleic acid at the C-2 position and one chain of arachidic 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
1-arachidoyl-2-oleoyl-3-palmitoyl-glycerol SMPDB
TG(20:0/18:1/16:0) SMPDB
TG(20:0/18:1n9/16:0) SMPDB
TG(20:0/18:1w9/16:0) SMPDB
TG(54:1) SMPDB, HMDB
Tag(20:0/18:1(9Z)/16:0) SMPDB
Tag(20:0/18:1/16:0) SMPDB
Tag(20:0/18:1n9/16:0) SMPDB
Tag(20:0/18:1w9/16:0) SMPDB
Tag(54:1) SMPDB, HMDB
Triacylglycerol(20:0/18:1(9Z)/16:0) SMPDB
Triacylglycerol(20:0/18:1/16:0) SMPDB
Triacylglycerol(20:0/18:1n9/16:0) SMPDB
Triacylglycerol(20:0/18:1w9/16:0) SMPDB
Triacylglycerol(54:1) SMPDB
Triacylglycerol SMPDB, HMDB
TriglycerideSMPDB, HMDB
TG(20:0/18:1(9Z)/16:0)SMPDB
1-Palmitoyl-2-oleoyl-3-arachidonyl-glycerolHMDB
TAG(16:0/18:1/20:0)HMDB
TAG(16:0/18:1n9/20:0)HMDB
TAG(16:0/18:1W9/20:0)HMDB
TG(16:0/18:1/20:0)HMDB
TG(16:0/18:1n9/20:0)HMDB
TG(16:0/18:1W9/20:0)HMDB
Tracylglycerol(16:0/18:1/20:0)HMDB
Tracylglycerol(16:0/18:1n9/20:0)HMDB
Tracylglycerol(16:0/18:1W9/20:0)HMDB
Tracylglycerol(54:1)HMDB
Molecular FormulaC57H108O6
Average Mass889.4638
Monoisotopic Mass888.814591188
IUPAC Name(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl icosanoate
Traditional Name(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl icosanoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
InChI Identifier
InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-/t54-/m1/s1
InChI KeyYWKYRFUPKVVPAH-CZTCNMGMSA-N