Identification |
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YMDB ID | YMDB00065 |
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Name | 5-Aminoimidazole ribonucleotide |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | 5-Aminoimidazole ribonucleotide, also known as 5'-phosphoribosyl-5-aminoimidazole or AIR, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 5-Aminoimidazole ribonucleotide is a very strong basic compound (based on its pKa). 5-Aminoimidazole ribonucleotide exists in all living species, ranging from bacteria to humans. |
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Structure | |
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Synonyms | - 1-(5-Phospho-D-ribosyl)-5-aminoimidazole
- 1-(5'-phosphoribosyl)-5-aminoimidazole
- 5-Amino-1-(5-phospho-D-ribosyl)imidazole
- 5-aminoimidazole ribonucleotide
- 5-aminoimidazole ribotide
- 5'-phosphoribosyl-5-aminoimidazole
- AIR
- Aminoimidazole ribotide
- 5-Amino-1-beta-D-ribofuranosyl-5'-(dihydrogen phosphate)-imidazole
- 5-Amino-1-ribofuranosylimidazole 5'-phosphate
- Aminoimidazole ribonucleotide
- Phosphoribosylaminoimidazole
- 5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole
- 5-Amino-1-b-D-ribofuranosyl-5'-(dihydrogen phosphate)-imidazole
- 5-Amino-1-b-D-ribofuranosyl-5'-(dihydrogen phosphoric acid)-imidazole
- 5-Amino-1-beta-D-ribofuranosyl-5'-(dihydrogen phosphoric acid)-imidazole
- 5-Amino-1-β-D-ribofuranosyl-5'-(dihydrogen phosphate)-imidazole
- 5-Amino-1-β-D-ribofuranosyl-5'-(dihydrogen phosphoric acid)-imidazole
- 5-Amino-1-ribofuranosylimidazole 5'-phosphoric acid
- 5-Amino-1-(5-phospho-b-D-ribosyl)imidazole
- 5-Amino-1-(5-phospho-β-D-ribosyl)imidazole
- Aminoimidazole ribotide, (beta-D-ribofuranosyl)-isomer
- Aminoimidazole ribotide, (alpha-D-ribofuranosyl)-isomer
- Aminoimidazole ribotide, phosphonoribofuranosyl-isomer
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CAS number | 25635-88-5 |
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Weight | Average: 295.1864 Monoisotopic: 295.056936329 |
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InChI Key | PDACUKOKVHBVHJ-XVFCMESISA-N |
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InChI | InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1 |
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IUPAC Name | {[(2R,3S,4R,5R)-5-(5-amino-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid |
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Traditional IUPAC Name | 5-aminoimidazole ribotide |
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Chemical Formula | C8H14N3O7P |
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SMILES | [H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=NC([H])=C1N([H])[H])C([H])([H])OP(=O)(O[H])O[H] |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
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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 | Pentose phosphates |
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Alternative Parents | |
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Substituents | - Pentose phosphate
- Pentose-5-phosphate
- Imidazole ribonucleoside
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Monoalkyl phosphate
- Aminoimidazole
- Alkyl phosphate
- Phosphoric acid ester
- N-substituted imidazole
- Organic phosphoric acid derivative
- Heteroaromatic compound
- Azole
- Tetrahydrofuran
- Imidazole
- 1,2-diol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Organic oxide
- Primary amine
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Amine
- Organopnictogen compound
- Organonitrogen compound
- 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 | purine nucleotides de novo biosynthesis | PW002478 |    |
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KEGG Pathways | |
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SMPDB Reactions | |
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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 | splash10-0002-9310000000-83cf50bc3f675ec17ccb | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-01vk-9314000000-ed8269ba053b2e3a4fc4 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9130000000-143cf7dfaf8cc77d6280 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-26b4d68163a88586005b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-87449f0e16a1690c4873 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0036-9160000000-50e60dc03e3bb2050636 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0059-9000000000-797c3e0faf96fe4330aa | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-9e3a71c432cedbcd3892 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-2490000000-7dd58fcac26f75e7c46f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-6dd5f8e7028cd1ab65d2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-7542d4d80a10b03631f0 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002f-9080000000-e3666a5af349af6427f9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-2dd173dfe9a30642b89d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-7c5243a801196e080ddb | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | 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: | Groziak M P; Bhat B; Leonard N J Nonenzymatic synthesis of 5-aminoimidazole ribonucleoside and recognition of its facile rearrangement. Proceedings of the National Academy of Sciences of the United States of America (1988), 85(19), 7174-6. |
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External Links: | |
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