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Identification |
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YMDB ID | YMDB00300 |
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Name | 5-Amino-6-(5'-phosphoribitylamino)uracil |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | 5-Amino-6-(5'-phosphoribitylamino)uracil belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 5-Amino-6-(5'-phosphoribitylamino)uracil is a very strong basic compound (based on its pKa). 5-Amino-6-(5'-phosphoribitylamino)uracil exists in all eukaryotes, ranging from yeast to humans. |
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Structure | |
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Synonyms | - 5-Amino-2,6-dioxy-4-(5'-phosphoribitylamino)pyrimidine
- 5-Amino-6-(5-phosphoribitylamino)uracil
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CAS number | Not Available |
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Weight | Average: 356.2264 Monoisotopic: 356.073314674 |
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InChI Key | RQRINYISXYAZKL-UHFFFAOYSA-N |
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InChI | InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18) |
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IUPAC Name | ({5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl}oxy)phosphonic acid |
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Traditional IUPAC Name | {5-[(5-amino-2,6-dioxo-1,3-dihydropyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl}oxyphosphonic acid |
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Chemical Formula | C9H17N4O9P |
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SMILES | [H]OC([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])(O[H])C([H])(O[H])C([H])([H])N([H])C1=C(N([H])[H])C(=O)N([H])C(=O)N1[H] |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Monosaccharide phosphates |
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Alternative Parents | |
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Substituents | - Monosaccharide phosphate
- Pentose monosaccharide
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Monoalkyl phosphate
- Hydropyrimidine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Heteroaromatic compound
- Vinylogous amide
- Secondary alcohol
- Urea
- Lactam
- Secondary amine
- Organoheterocyclic compound
- Azacycle
- Polyol
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Primary amine
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | |
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KEGG Pathways | |
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SMPDB Reactions | Not Available |
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KEGG Reactions | |
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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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-000j-7932000000-f99b2e65ef6ba20ea0f8 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive | splash10-0fdk-7905640000-c9a3d0310f1af6d7c4fa | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4r-0249000000-5a3bec4a17c34777337d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052f-2932000000-215c4b7565ae7b5e0bd9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-8910000000-e297079a225fff6f9041 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03mi-5927000000-436a23030b9f7f3801bc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004l-9100000000-3731c088773859710bad | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-6686c1b8596958b9ba6b | JSpectraViewer |
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References |
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References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
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Synthesis Reference: | Not Available |
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External Links: | |
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