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Identification |
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YMDB ID | YMDB00077 |
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Name | 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid, also known as 1-(5'-phosphoribosyl)-5-amino-4-imidazolecarboxylate or 5-amino-4-imidazolecarboxylic acid ribonucleotide, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is a very strong basic compound (based on its pKa). |
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Structure | |
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Synonyms | - 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate
- 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole
- 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole
- 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate
- 4-Carboxy-5-aminoimidazole ribonucleotide
- 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
- 5-amino-4-carboxyimidazole ribonucleotide
- 5-Amino-4-imidazolecarboxylic acid ribonucleotide
- 5-Aminoimidazole carboxilic acid ribonucleotice
- 5-Aminoimidazole-4-carboxilic acid ribonucleotide
- 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole
- 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate
- 5'Phosphoribosyl-4-carboxy-5-aminoimidazole
- Carboxyaminoimidazole ribonucleotide
- 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
- 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylic acid
- 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylic acid
- 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylic acid
- Carboxy-air
- AICOR
- Carboxyaminoimidazole ribotide
- CAIR
- 5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxylic acid
- 1-(5’-phosphoribosyl)-4-carboxy-5-aminoimidazole
- 1-(5’-phosphoribosyl)-5-amino-4-carboxyimidazole
- 1-(5’-phosphoribosyl)-5-amino-4-imidazolecarboxylate
- 5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid
- 5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid
- 5-Aminoimidazole 4-carboxylic acid ribonucleotide
- 5-Aminoimidazolecarboxylic acid ribonucleotide
- 5’-phosphoribosyl-4-carboxy-5-aminoimidazole
- 5’-phosphoribosyl-5-amino-4-imidazolecarboxylate
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CAS number | 6001-14-5 |
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Weight | Average: 339.1959 Monoisotopic: 339.046765573 |
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InChI Key | XFVULMDJZXYMSG-ZIYNGMLESA-N |
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InChI | InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1 |
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IUPAC Name | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid |
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Traditional IUPAC Name | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carboxylic acid |
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Chemical Formula | C9H14N3O9P |
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SMILES | [H]OC(=O)C1=C(N([H])[H])N(C([H])=N1)[C@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H] |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Cholestane steroids |
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Direct Parent | Cholesterols and derivatives |
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Alternative Parents | |
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Substituents | - Cholesterol
- Cholesterol-skeleton
- 25-hydroxysteroid
- 3-hydroxy-delta-5-steroid
- 3-hydroxysteroid
- 7-hydroxysteroid
- Hydroxysteroid
- 3-beta-hydroxy-delta-5-steroid
- 3-beta-hydroxysteroid
- Delta-5-steroid
- Cyclic alcohol
- Tertiary alcohol
- Secondary alcohol
- Alcohol
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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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 | splash10-0002-9613000000-2a087bcb710ee7b50b52 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive | splash10-00lu-2923230000-25e41df497cf1b5c9281 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0914000000-87d6bac417ced888900f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01t9-1900000000-e298883e772e11c253f0 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-8900000000-82583bffa17f1262d918 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004r-8928000000-d296c2812c7b06149794 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9400000000-76793052d8d2699d70dd | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a8b367167e97f6df3690 | 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
- Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
- Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
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Synthesis Reference: | Not Available |
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External Links: | |
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