You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Yeast Metabolome Database.
Identification |
---|
YMDB ID | YMDB15830 |
---|
Name | TG(12:0/14:0/28:0) |
---|
Species | Saccharomyces cerevisiae |
---|
Strain | Brewer's yeast |
---|
Description | TG(12:0/14:0/28:0) 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(12:0/14:0/28:0) is made up of one dodecanoyl(R1), one tetradecanoyl(R2), and one octacosanoyl(R3). |
---|
Structure | |
---|
Synonyms | Not Available |
---|
CAS number | Not Available |
---|
Weight | Average: 891.501 Monoisotopic: 890.830241262 |
---|
InChI Key | OEFGVIAZODUJHI-XSMLMOGHSA-N |
---|
InChI | InChI=1S/C57H110O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)63-57(60)51-48-45-42-39-35-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1 |
---|
IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl octacosanoate |
---|
Traditional IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl octacosanoate |
---|
Chemical Formula | C57H110O6 |
---|
SMILES | [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Glycerolipids |
---|
Sub Class | Triradylcglycerols |
---|
Direct Parent | Triacylglycerols |
---|
Alternative Parents | |
---|
Substituents | - Triacyl-sn-glycerol
- Tricarboxylic acid or derivatives
- Fatty acid ester
- Fatty acyl
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Solid |
---|
Charge | 0 |
---|
Melting point | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
|
---|
Predicted Properties | |
---|
Biological Properties |
---|
Cellular Locations | |
---|
Organoleptic Properties | Not Available |
---|
SMPDB Pathways | Triacylglycerol metabolism TG(12:0/14:0/28:0) | PW007830 | |
|
---|
KEGG Pathways | Not Available |
---|
SMPDB Reactions | |
---|
KEGG Reactions | Not Available |
---|
Concentrations |
---|
Intracellular Concentrations | Not Available |
---|
Extracellular Concentrations | Not Available |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00dj-0000409000-e0d1f27e6639afa1e021 | JSpectraViewer |
|
---|
References |
---|
References: | - Rattray JB, Schibeci A, Kidby DK. (1975). "Lipids of yeasts." Bacteriol Rev. 1975 Sep;39(3):197-231.240350
|
---|
Synthesis Reference: | Not Available |
---|
External Links: | Resource | Link |
---|
CHEBI ID | Not Available | HMDB ID | Not Available | Pubchem Compound ID | Not Available | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
|
---|