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Identification |
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YMDB ID | YMDB15755 |
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Name | TG(12:0/16:0/20:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(12:0/16:0/20:0) 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(12:0/16:0/20:0) is made up of one dodecanoyl(R1), one hexadecanoyl(R2), and one eicosanoyl(R3). |
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Structure | |
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Synonyms | - Triacylglycerol
- 1-dodecanoyl-2-palmitoyl-3-arachidonyl-glycerol
- TG(48:0)
- Triglyceride
- Tracylglycerol(48:0)
- Tracylglycerol(12:0/16:0/20:0)
- TG(12:0/16:0/20:0)
- TAG(48:0)
- 1-dodecanoyl-2-hexadecanoyl-3-eicosanoyl-glycerol
- TAG(12:0/16:0/20:0)
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CAS number | Not Available |
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Weight | Average: 807.339 Monoisotopic: 806.736340876 |
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InChI Key | FTIBVSNHDVLVFQ-DYVQZXGMSA-N |
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InChI | InChI=1S/C51H98O6/c1-4-7-10-13-16-19-21-23-24-25-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-22-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1 |
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IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl icosanoate |
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Traditional IUPAC Name | (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl icosanoate |
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Chemical Formula | C51H98O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
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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(12:0/16:0/20:0) | PW007753 |    |
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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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0000000090-2dcd9d1c90fb060e2d76 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-0000000090-2dcd9d1c90fb060e2d76 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pba-0000999070-996cd9136a22d284c43d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4r-1250121290-c04531a23f643482719c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052r-6490104810-a5e3d8b0a21c05b709e3 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000j-3594001000-68ee45ddeb66d10ad311 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0000000090-c9b5cf0ac5a5011ec584 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-0000000090-c9b5cf0ac5a5011ec584 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pba-0130999070-407503b1408952d0b4e6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0000000090-feacb9716f0cce2e39b9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000000090-feacb9716f0cce2e39b9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0000000090-feacb9716f0cce2e39b9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0333132090-a24cce6edfcf6b6812e2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0540-0292000000-33d2d2e78375f85ba5c4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0bu1-2694000000-89c0a19bf9bec987b533 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000000090-497b97a123d4ddbee56b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0000000090-497b97a123d4ddbee56b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0900-0009099090-1ce1fb52614e0fba76b8 | 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 | HMDB0095602 | Pubchem Compound ID | 131803775 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB067388 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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