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 | YMDB01267 |
|---|
| Name | TG(12:0/16:0/18:1(9Z)) |
|---|
| Species | Saccharomyces cerevisiae |
|---|
| Strain | Brewer's yeast |
|---|
| Description | TG(12:0/16:0/18:1(9Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). TG(12:0/16:0/18:1(9Z)) may be a unique S. cerevisiae (yeast) metabolite. Within yeast, TG(12:0/16:0/18:1(9Z)) participates in a number of enzymatic reactions. In particular, TG(12:0/16:0/18:1(9Z)) can be biosynthesized from DG(12:0/18:1(9Z)/0:0) through the action of the enzyme diacylglycerol O-acyltransferase 1. In addition, TG(12:0/16:0/18:1(9Z)) can be converted into DG(12:0/18:1(9Z)/0:0) through its interaction with the enzyme triacylglycerol lipase complex. In yeast, TG(12:0/16:0/18:1(9Z)) is involved in the metabolic pathway called the triacylglycerol metabolism tg(12:0/16:0/18:1(9z)) pathway. |
|---|
| Structure | |
|---|
| Synonyms | - 1-dodecanoyl-2-palmitoyl-3-oleoyl-glycerol
- TAG(12:0/16:0/18:1)
- TAG(12:0/16:0/18:1n9)
- TAG(12:0/16:0/18:1w9)
- TAG(46:1)
- TG(12:0/16:0/18:1)
- TG(12:0/16:0/18:1n9)
- TG(12:0/16:0/18:1w9)
- TG(46:1)
- Tracylglycerol(12:0/16:0/18:1)
- Tracylglycerol(12:0/16:0/18:1n9)
- Tracylglycerol(12:0/16:0/18:1w9)
- Tracylglycerol(46:1)
- Triacylglycerol
- Triglyceride
|
|---|
| CAS number | Not Available |
|---|
| Weight | Average: 777.269
Monoisotopic: 776.689390682 |
|---|
| InChI Key | KKDKCSAJJXXLKK-CQXVYNKFSA-N |
|---|
| InChI | InChI=1S/C49H92O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h23-24,46H,4-22,25-45H2,1-3H3/b24-23-/t46-/m0/s1 |
|---|
| IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate |
|---|
| Traditional IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate |
|---|
| Chemical Formula | C49H92O6 |
|---|
| SMILES | [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
|---|
| Chemical Taxonomy |
|---|
| 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(12:0/16:0/18:1(9Z)) | PW007721 |    |
|
|---|
| KEGG Pathways | Not Available |
|---|
| SMPDB Reactions | |
|---|
| KEGG Reactions | Not Available |
|---|
| Concentrations |
|---|
| Intracellular Concentrations | | Intracellular Concentration | Substrate | Growth Conditions | Strain | Citation |
|---|
| 25250 ± 1325 umol/L | SD media with 2% raffinose | 24 oC | BY4741 | PMID: 19174513 | | Conversion Details Here |
|
|---|
| Extracellular Concentrations | Not Available |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0uji-0000090000-beed51800e0ebd968ca3 | JSpectraViewer |
|
|---|
| References |
|---|
| References: | - Ejsing, C. S., Sampaio, J. L., Surendranath, V., Duchoslav, E., Ekroos, K., Klemm, R. W., Simons, K., Shevchenko, A. (2009). "Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry." Proc Natl Acad Sci U S A 106:2136-2141.19174513
|
|---|
| 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 | 24608126 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
|
|---|
