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 | PAMDB110000 |
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Identification |
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Name: |
N5-carboxyaminoimidazole ribonucleotide |
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Description: | Trianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions. |
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Structure |
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Synonyms: | -
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
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5-phosphoribosyl-5-carboxyaminoimidazole
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N5-CAIR
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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: |
JHLXDWGVSYMXPL-XVFCMESISA-K |
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InChI: |
InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/p-3/t4-,6-,7-,8-/m1/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | N-carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amine |
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Traditional IUPAC Name: |
3-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazol-4-ylcarbamic acid |
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SMILES: | C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])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
- Monoalkyl phosphate
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Azole
- Tetrahydrofuran
- Imidazole
- Heteroaromatic compound
- 1,2-diol
- Secondary alcohol
- Carbamic acid
- Carbamic acid derivative
- Carbonic acid derivative
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- 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: | -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: |
- superpathway of histidine, purine, and pyrimidine biosynthesisPRPP-PWY
- superpathway of purine nucleotides de novo biosynthesis IIDENOVOPURINE2-PWY
- inosine-5'-phosphate biosynthesis IPWY-6123
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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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