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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 | PAMDB001395 |
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Identification |
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| Name: |
NMNH |
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| Description: | NMNH is a member of the chemical class known as Nicotinamide Nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof. |
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Structure |
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| Synonyms: | - Nicotinamide mononucleotide (reduced)
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Chemical Formula: |
C11H17N2O8P |
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| Average Molecular Weight: |
336.235 |
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| Monoisotopic Molecular
Weight: |
336.072252042 |
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| InChI Key: |
XQHMUSRSLNRVGA-TURQNECASA-N |
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| InChI: | InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1,4-dihydropyridine-3-carboximidic acid |
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Traditional IUPAC Name: |
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-4H-pyridine-3-carboximidic acid |
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| SMILES: | [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=CCC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as nicotinamide nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof. |
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Kingdom |
Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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Class |
Pyridine nucleotides |
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| Sub Class | Nicotinamide nucleotides |
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Direct Parent |
Nicotinamide nucleotides |
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| Alternative Parents |
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| Substituents |
- Nicotinamide-nucleotide
- N-glycosyl compound
- Glycosyl compound
- N-substituted nicotinamide
- Monosaccharide phosphate
- Dihydropyridinecarboxylic acid derivative
- Monoalkyl phosphate
- Dihydropyridine
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Organic phosphate
- Monosaccharide
- Hydropyridine
- Saccharide
- Oxolane
- Tertiary amine
- Secondary alcohol
- 1,2-diol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Enamine
- Carboximidic acid derivative
- Carboximidic acid
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -2 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
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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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