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Identification |
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YMDB ID | YMDB15642 |
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Name | TG(10:0/15:0/18:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(10:0/15:0/18:0) 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(10:0/15:0/18:0) is made up of one decanoyl(R1), one pentadecanoyl(R2), and one octadecanoyl(R3). |
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Structure | |
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Synonyms | - 1-animal fats-2-pentadecanoyl-3-octadecanoyl-glycerol
- Tracylglycerol(10:0/15:0/18:0)
- TG(10:0/15:0/18:0)
- Triacylglycerol
- TG(43:0)
- 1-decanoic acid-2-pentadecanoyl-3-stearoyl-glycerol
- Triglyceride
- Tracylglycerol(43:0)
- TAG(43:0)
- TAG(10:0/15:0/18:0)
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CAS number | Not Available |
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Weight | Average: 737.204 Monoisotopic: 736.658090554 |
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InChI Key | WYORKFVHQNPFBO-QLKFWGTOSA-N |
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InChI | InChI=1S/C46H88O6/c1-4-7-10-13-16-18-20-22-23-24-26-27-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-31-28-25-21-19-17-14-11-8-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1 |
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IUPAC Name | (2S)-3-(decanoyloxy)-2-(pentadecanoyloxy)propyl octadecanoate |
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Traditional IUPAC Name | (2S)-3-(decanoyloxy)-2-(pentadecanoyloxy)propyl octadecanoate |
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Chemical Formula | C46H88O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
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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(10:0/15:0/18:0) | PW007632 |    |
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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 | splash10-0udi-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 | splash10-0uy1-0000940300-811bf8f7079c4a494936 | 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 | splash10-0via-0010940300-051b6c28a5b483e81b03 | 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 | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0350330900-58861bba359c6dbc29ac | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01b9-0291100000-c3d3f27bc329af78c0f8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00yi-1691100000-0b7d9826d7f1e2def3c7 | 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 | splash10-0fdo-0040090400-f6e4fbe2085e399a50ad | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-1330210900-f57b12ada091dd50100b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00vs-9350314200-f43e670732005adf4ea8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a7l-5693100000-ec8ff7605d0ed859c3b1 | 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 | HMDB0072235 | Pubchem Compound ID | 131779033 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB044236 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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