Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110148 |
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Identification |
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Name: |
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate |
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Description: | Trianion of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid. |
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Structure |
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Synonyms: | -
1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole
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5'-P-ribosyl-4-carboxy-5-aminoimidazole
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5'-phosphoribosyl-4-carboxy-5-aminoimidazole
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5-phosphoribosyl-4-carboxy-5-aminoimidazole
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1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate
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1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole
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CAIR
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4-carboxyaminoimidazole ribonucleotide
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phosphoribosyl-carboxy-aminoimidazole
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Chemical Formula: |
C9H11N3O9P
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Average Molecular Weight: |
336.17 |
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Monoisotopic Molecular
Weight: |
339.0467655739 |
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InChI Key: |
XFVULMDJZXYMSG-ZIYNGMLESA-K |
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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)/p-3/t3-,5-,6-,8-/m1/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | 5-amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate |
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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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SMILES: | C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC(C([O-])=O)=C(N)1))O2) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
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Kingdom |
Chemical entities |
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Super Class | Organic compounds |
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Class |
Organic oxygen compounds |
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Sub Class | Organooxygen compounds |
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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
- Imidazole-4-carbonyl group
- Monoalkyl phosphate
- Aminoimidazole
- N-substituted imidazole
- Organic phosphoric acid derivative
- Alkyl phosphate
- Phosphoric acid ester
- Primary aromatic amine
- Azole
- Imidazole
- Heteroaromatic compound
- Oxolane
- Vinylogous amide
- Secondary alcohol
- Amino acid or derivatives
- 1,2-diol
- Amino acid
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Primary amine
- Organopnictogen compound
- Organic nitrogen compound
- Organonitrogen compound
- Organic oxide
- Amine
- Hydrocarbon derivative
- Alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework |
Aromatic heteromonocyclic compounds |
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External Descriptors |
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Physical Properties |
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State: |
Solid |
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Charge: | -3 |
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Melting point: |
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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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
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Spectra |
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Spectra: |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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