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Identification |
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YMDB ID | YMDB15804 |
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Name | TG(12:0/20:0/20:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(12:0/20:0/20:0) 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(12:0/20:0/20:0) is made up of one dodecanoyl(R1), one eicosanoyl(R2), and one eicosanoyl(R3). |
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Structure | |
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Synonyms | - Triacylglycerol
- TAG(52:0)
- TAG(12:0/20:0/20:0)
- 1-dodecanoyl-2-arachidonyl-3-arachidonyl-glycerol
- Tracylglycerol(12:0/20:0/20:0)
- Tracylglycerol(52:0)
- Triglyceride
- TG(12:0/20:0/20:0)
- 1-dodecanoyl-2-eicosanoyl-3-eicosanoyl-glycerol
- TG(52:0)
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CAS number | Not Available |
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Weight | Average: 863.447 Monoisotopic: 862.798941133 |
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InChI Key | YVWHOYYHWVFOSH-MPLRIKRWSA-N |
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InChI | InChI=1S/C55H106O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1 |
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IUPAC Name | (2S)-1-(dodecanoyloxy)-3-(icosanoyloxy)propan-2-yl icosanoate |
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Traditional IUPAC Name | (2S)-1-(dodecanoyloxy)-3-(icosanoyloxy)propan-2-yl icosanoate |
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Chemical Formula | C55H106O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
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Chemical Taxonomy |
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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. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerolipids |
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Sub Class | Triradylcglycerols |
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Direct Parent | Triacylglycerols |
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Alternative Parents | |
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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
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Triacylglycerol metabolism TG(12:0/20:0/20:0) | PW007804 |    |
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KEGG Pathways | Not Available |
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SMPDB Reactions | |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000000090-0b297ecc356d1befc4b1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0000000090-0b297ecc356d1befc4b1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ik9-0000099070-8785b692ba9a4caab44e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0306042090-36f16c752c2662f6b8de | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01p9-0229021000-ace4ef1fe6b3b7df8373 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-08g1-1429010000-ccf1e16c03aed15d0304 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000000090-07226c06cd19fb8c921b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0000000090-07226c06cd19fb8c921b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-0000000090-07226c06cd19fb8c921b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-1120021090-a0cb7b0e62c56f7e033e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-06r2-7391132480-138ecaca2e9c25069f0f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-3597000000-9d0af9e777f0c712a832 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000000090-93d8699dad5e4e368621 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0000000090-93d8699dad5e4e368621 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ik9-0110099070-4b32445d7b2c21bebdc6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0000000090-1faf87895f2770b7ee12 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0000000090-1faf87895f2770b7ee12 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-0009099090-875534dd3033f9781d9f | JSpectraViewer |
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References |
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References: | - Rattray JB, Schibeci A, Kidby DK. (1975). "Lipids of yeasts." Bacteriol Rev. 1975 Sep;39(3):197-231.240350
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | Not Available | HMDB ID | HMDB0096123 | Pubchem Compound ID | 131804295 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB067909 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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