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Identification |
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YMDB ID | YMDB15589 |
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Name | TG(10:0/10:0/12:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(10:0/10:0/12:0) 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(10:0/10:0/12:0) is made up of one decanoyl(R1), one decanoyl(R2), and one dodecanoyl(R3). |
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Structure | |
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Synonyms | - 1-animal fats-2-animal fats-3-dodecanoyl-glycerol
- TG(10:0/10:0/12:0)
- Triacylglycerol
- Tracylglycerol(10:0/10:0/12:0)
- TAG(10:0/10:0/12:0)
- Triglyceride
- 1-decanoic acid-2-decanoic acid-3-dodecanoyl-glycerol
- TAG(32:0)
- Tracylglycerol(32:0)
- TG(32:0)
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CAS number | Not Available |
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Weight | Average: 582.907 Monoisotopic: 582.485939845 |
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InChI Key | OYJUWYHFGMRWBN-YTTGMZPUSA-N |
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InChI | InChI=1S/C35H66O6/c1-4-7-10-13-16-17-20-22-25-28-34(37)40-31-32(41-35(38)29-26-23-19-15-12-9-6-3)30-39-33(36)27-24-21-18-14-11-8-5-2/h32H,4-31H2,1-3H3/t32-/m0/s1 |
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IUPAC Name | (2S)-2,3-bis(decanoyloxy)propyl dodecanoate |
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Traditional IUPAC Name | (2S)-2,3-bis(decanoyloxy)propyl dodecanoate |
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Chemical Formula | C35H66O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC |
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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(10:0/10:0/12:0) | PW007575 |    |
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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-0000009000-4c76ec6107ccb7af929f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0000009000-4c76ec6107ccb7af929f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01q9-0009961000-e0f56343c6b29207a364 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-1201190000-3b26f291f18996310921 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0c10-6603690000-3f5cd809d86b9b1c3fba | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-7790100000-ce52dca21d3eec64a4a4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0711490000-a0832815617d654023c7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0941100000-8cacd8aeee2ac88c27bc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006t-0910000000-569e95b8c00678387bb4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000009000-af8097fef13e8ac85464 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0000009000-af8097fef13e8ac85464 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0000009000-af8097fef13e8ac85464 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000090000-33268f40f06e2cbe7453 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0000090000-33268f40f06e2cbe7453 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0b9i-0090990000-10fff796120dae26aa1b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000009000-fd35969aa4d97408aa08 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0000009000-fd35969aa4d97408aa08 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01q9-0309961000-79aad308fb736da11f3e | 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 | HMDB0071635 | Pubchem Compound ID | 131778439 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB043636 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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