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Identification |
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YMDB ID | YMDB15808 |
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Name | TG(15:0/15:0/22:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(15:0/15:0/22:0) 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(15:0/15:0/22:0) is made up of one pentadecanoyl(R1), one pentadecanoyl(R2), and one docosanoyl(R3). |
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Structure | |
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Synonyms | - TG(52:0)
- Triacylglycerol
- TAG(52:0)
- Triglyceride
- Tracylglycerol(15:0/15:0/22:0)
- Tracylglycerol(52:0)
- TAG(15:0/15:0/22:0)
- 1-Pentadecanoyl-2-pentadecanoyl-3-docosanoyl-glycerol
- 1-Pentadecanoyl-2-pentadecanoyl-3-behenoyl-glycerol
- TG(15:0/15:0/22:0)
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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 | APMFDMKLEBUNLA-MPLRIKRWSA-N |
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InChI | InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1 |
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IUPAC Name | (2S)-2,3-bis(pentadecanoyloxy)propyl docosanoate |
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Traditional IUPAC Name | (2S)-2,3-bis(pentadecanoyloxy)propyl docosanoate |
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Chemical Formula | C55H106O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)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(15:0/15:0/22:0) | PW007808 |    |
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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-0000099000-06824b2015de9fb35c97 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00du-0098003020-309dea36c301445930a4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-007c-0096001000-68505a9c0d46f2fcd1ce | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0076-2195000000-04407a82cffacd488fd5 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0053015090-ea2e469ced7ff9560b1a | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0093001000-9efb15b3f29d3abcacd2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05mx-0293002000-47c94c7dc4c148f158fb | 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 | splash10-001i-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 | splash10-00di-0011099070-f34fd5a7db4a1a047f6a | 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 | splash10-0192-0009009090-e1a085df7fd1e7330692 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03k9-6020013290-246ed98f1b990d9a25c7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05fr-9130001420-1af998ee1c1685918dbe | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004l-4495100000-3c8be00fd5fcecbf8517 | 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 | HMDB0042993 | Pubchem Compound ID | 131754128 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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