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Identification |
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YMDB ID | YMDB15591 |
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Name | TG(10:0/12:0/12:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(10:0/12:0/12:0) 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(10:0/12:0/12:0) is made up of one decanoyl(R1), one dodecanoyl(R2), and one dodecanoyl(R3). |
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Structure | |
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Synonyms | - 1-animal fats-2-dodecanoyl-3-dodecanoyl-glycerol
- Triacylglycerol
- TG(10:0/12:0/12:0)
- Tracylglycerol(34:0)
- TAG(34:0)
- TG(34:0)
- TAG(10:0/12:0/12:0)
- 1-decanoic acid-2-dodecanoyl-3-dodecanoyl-glycerol
- Tracylglycerol(10:0/12:0/12:0)
- Triglyceride
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CAS number | Not Available |
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Weight | Average: 610.961 Monoisotopic: 610.517239974 |
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InChI Key | DAZYHOHBKWVLPD-UMSFTDKQSA-N |
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InChI | InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-24-27-30-36(39)42-33-34(32-41-35(38)29-26-23-20-15-12-9-6-3)43-37(40)31-28-25-22-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3/t34-/m0/s1 |
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IUPAC Name | (2S)-1-(decanoyloxy)-3-(dodecanoyloxy)propan-2-yl dodecanoate |
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Traditional IUPAC Name | (2S)-1-(decanoyloxy)-3-(dodecanoyloxy)propan-2-yl dodecanoate |
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Chemical Formula | C37H70O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
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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(10:0/12:0/12:0) | PW007577 |    |
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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 | splash10-004i-0000009000-a13b642699561914f239 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000009000-a13b642699561914f239 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dr-0000903000-cc1ff1245c5c32784a05 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000009000-15e8ea206c4baf7ba094 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0000009000-15e8ea206c4baf7ba094 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0000009000-15e8ea206c4baf7ba094 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0000009000-2b0b79cd36aafad4779e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0000009000-2b0b79cd36aafad4779e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-066u-0040904000-0360208c17155fec2c1f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0720609000-c9248421ec60e060adc2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0590300000-0a1719fc55d0e38fea05 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0092-0940100000-315f33a6646be3aebca5 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-1200339000-948e2fa4d83d2c688534 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-8501692000-3eb148fd884fbf912941 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a59-8970000000-d5c8b73e9a676b572e55 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0000009000-216c350bb5d84a4b6ecf | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000009000-216c350bb5d84a4b6ecf | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dr-0100903000-63d2b0a150ae66e51880 | 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 | HMDB0071502 | Pubchem Compound ID | 131778307 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB043503 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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