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 | YMDB15643 |
---|
Name | TG(12:0/15:0/16:0) |
---|
Species | Saccharomyces cerevisiae |
---|
Strain | Brewer's yeast |
---|
Description | TG(12:0/15:0/16:0) 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(12:0/15:0/16:0) is made up of one dodecanoyl(R1), one pentadecanoyl(R2), and one hexadecanoyl(R3). |
---|
Structure | |
---|
Synonyms | - Tracylglycerol(12:0/15:0/16:0)
- Triacylglycerol
- TG(43:0)
- Triglyceride
- Tracylglycerol(43:0)
- TAG(43:0)
- TG(12:0/15:0/16:0)
- 1-dodecanoyl-2-pentadecanoyl-3-palmitoyl-glycerol
- 1-dodecanoyl-2-pentadecanoyl-3-hexadecanoyl-glycerol
- TAG(12:0/15:0/16:0)
|
---|
CAS number | Not Available |
---|
Weight | Average: 737.204 Monoisotopic: 736.658090554 |
---|
InChI Key | IEKCDOQWZSTGGO-QLKFWGTOSA-N |
---|
InChI | InChI=1S/C46H88O6/c1-4-7-10-13-16-19-21-23-25-27-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)52-46(49)40-37-34-31-28-24-22-20-17-14-11-8-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1 |
---|
IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(pentadecanoyloxy)propyl hexadecanoate |
---|
Traditional IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(pentadecanoyloxy)propyl hexadecanoate |
---|
Chemical Formula | C46H88O6 |
---|
SMILES | [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
---|
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(12:0/15:0/16:0) | PW007633 |    |
|
---|
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 | splash10-0udi-0000000900-61cf1616bce1fd688177 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0000000900-61cf1616bce1fd688177 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001a-0000940300-b197ceffee5fab760988 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000000900-428ca15cf4bb30c875f1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000000900-428ca15cf4bb30c875f1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gvo-0040090400-b514ed7d9d32173e3056 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-1340211900-233d992fb4a243b765e0 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-9270318200-8bcf039c383df5c6c94f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05di-4391000000-8b3496974d7f74b95697 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0360230900-0bd4b3f51b209ed2516f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014r-0190100000-d3dbf260b95554d53c44 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0aos-1490000000-e4a4b0a11bb0327f5d70 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000000900-9ff1aa2b40f0da0b3dc8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0000000900-9ff1aa2b40f0da0b3dc8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001a-0010940300-557571bea07b2cf8a476 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000000900-5f74721f66bb8428e1b8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0000000900-5f74721f66bb8428e1b8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0000000900-5f74721f66bb8428e1b8 | 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 | HMDB0095418 | Pubchem Compound ID | 131803593 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB067204 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
|
---|