Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:41:32 UTC |
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Update Date | 2020-05-21 16:28:55 UTC |
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BMDB ID | BMDB0001132 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Nicotinic acid mononucleotide |
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Description | Nicotinic acid mononucleotide, also known as beta-nicotinate D-ribonucleotide or deamido-NMN, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Nicotinic acid mononucleotide is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Nicotinic acid mononucleotide exists in all eukaryotes, ranging from yeast to humans. Nicotinic acid mononucleotide participates in a number of enzymatic reactions, within cattle. In particular, Nicotinic acid mononucleotide can be biosynthesized from nicotinate D-ribonucleoside through the action of the enzyme nicotinamide riboside kinase 1. In addition, Nicotinic acid mononucleotide can be converted into nicotinate D-ribonucleoside; which is mediated by the enzyme cytosolic purine 5'-nucleotidase. In cattle, nicotinic acid mononucleotide is involved in the metabolic pathway called the nicotinate and nicotinamide metabolism pathway. |
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Structure | |
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Synonyms | Value | Source |
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Nicotinate mononucleotide | Generator | 3-Carboxy-1-(5-O-phosphono-b-D-ribofuranosyl)-pyridinium inner salt | HMDB | 3-Carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)-pyridinium inner salt | HMDB | 3-Carboxy-1-(5-O-phosphono-beta-delta-ribofuranosyl)-pyridinium inner salt | HMDB | 3-Carboxy-1-beta-D-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt | HMDB | 3-Carboxy-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt | HMDB | 3-Pyridinecarboxylic acid mononucleotide | HMDB | beta-Nicotinate D-ribonucleotide | HMDB | beta-Nicotinic acid mononucleotide | HMDB | Deamido nicotinamide ribonucleotide | HMDB | Deamido-nicotinamide mononucleotide | HMDB | Deamido-NMN | HMDB | NaMN | HMDB | Nicotinate D-ribonucleoside | HMDB | Nicotinate D-ribonucleotide | HMDB | Nicotinate nucleotide | HMDB | Nicotinate ribonucleotide | HMDB | Nicotinate-D-ribonucleotide | HMDB | Nicotinate-delta-ribonucleotide | HMDB | Nicotinic acid ribonucleotide | HMDB | Nicotinic acid ribotide | HMDB | Nicotinic mononucleotide | HMDB |
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Chemical Formula | C11H16NO9P |
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Average Molecular Weight | 337.2198 |
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Monoisotopic Molecular Weight | 337.056267627 |
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IUPAC Name | 3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium |
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Traditional Name | 3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium |
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CAS Registry Number | 321-02-8 |
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SMILES | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O |
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InChI Identifier | InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1 |
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InChI Key | OGCWVIVNTBZPBW-BHRXDNSCSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Pentose phosphates |
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Alternative Parents | |
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Substituents | - Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Tetrahydrofuran
- 1,2-diol
- Secondary alcohol
- Organic 1,3-dipolar compound
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Oxacycle
- Organoheterocyclic compound
- Propargyl-type 1,3-dipolar organic compound
- Carbonyl group
- Organic oxide
- Organonitrogen compound
- Hydrocarbon derivative
- Organic zwitterion
- Alcohol
- Organic nitrogen compound
- Organopnictogen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Status | Expected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | - Cytoplasm
- Mitochondria
- Nucleus
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Physical Properties |
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State | Solid |
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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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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-052b-9722000000-018e28ddf721d5b8f3e5 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive | splash10-000b-9321450000-a1a581b1c0db3e8a82f0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-1109000000-853a042b1707a4c36557 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-002b-7539000000-e8df8c1fb65e397a534d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-002e-8910000000-7666464d7f3cabd48973 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1109000000-924b50297114d22949c4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001j-9101000000-5bedd125bd4b3f9df5ae | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0032-9000000000-78cf9bb7de438a8e5979 | View in MoNA |
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1D NMR | 13C NMR Spectrum (1D, 100 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 200 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 300 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 600 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 700 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 800 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 900 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Not Available | View in JSpectraViewer |
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