Record Information |
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Version | 2.0 |
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Created at | 2024-09-10 20:03:57 UTC |
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Updated at | 2024-09-10 20:03:57 UTC |
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NP-MRD ID | NP0334811 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | PhosphoribosylformiminoAICAR-phosphate |
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Description | PhosphoribosylformiminoAICAR-phosphate is also known as phosphoribosylformiminoaicar-phosphoric acid. Based on a literature review very few articles have been published on PhosphoribosylformiminoAICAR-phosphate. |
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Structure | NC(=O)C1=C(\N=C\NC2OC(COP(O)(O)=O)C(O)C2O)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O InChI=1/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31) |
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Synonyms | Value | Source |
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PhosphoribosylformiminoAICAR-phosphoric acid | Generator |
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Chemical Formula | C15H25N5O15P2 |
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Average Mass | 577.3330 Da |
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Monoisotopic Mass | 577.08224 Da |
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IUPAC Name | ({5-[(E)-N'-(4-carbamoyl-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)imidamido]-3,4-dihydroxyoxolan-2-yl}methoxy)phosphonic acid |
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Traditional Name | {5-[(E)-N'-(5-carbamoyl-3-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazol-4-yl)imidamido]-3,4-dihydroxyoxolan-2-yl}methoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | NC(=O)C1=C(\N=C\NC2OC(COP(O)(O)=O)C(O)C2O)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O |
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InChI Identifier | InChI=1/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31) |
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InChI Key | QOUSHGMTBIIAHR-UHFFFAOYNA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Imidazole ribonucleosides and ribonucleotides |
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Sub Class | 1-ribosyl-imidazolecarboxamides |
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Direct Parent | 1-ribosyl-imidazolecarboxamides |
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Alternative Parents | |
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Substituents | - 1-ribosyl-imidazolecarboxamide
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- 2-heteroaryl carboxamide
- Imidazole-4-carbonyl group
- Monoalkyl phosphate
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Vinylogous amide
- Azole
- Tetrahydrofuran
- Heteroaromatic compound
- Imidazole
- Secondary alcohol
- Primary carboxylic acid amide
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Oxacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Formamidine
- Carboxylic acid amidine
- Carboxylic acid derivative
- Amidine
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Organonitrogen compound
- Organooxygen 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 | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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