Record Information |
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Version | 1.0 |
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Created at | 2022-02-14 20:58:03 UTC |
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Updated at | 2022-03-10 22:22:15 UTC |
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NP-MRD ID | NP0044513 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyridoxine 5'-phosphate |
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Description | Pyridoxine 5'-phosphate, also known as pyridoxine-5P or pyridoxine phosphoric acid, belongs to the class of organic compounds known as pyridoxine-5'-phosphates. These are pyridoxines that carry a phosphate group at the 5-position. Pyridoxine 5'-phosphate is a very strong basic compound (based on its pKa). Pyridoxine 5'-phosphate exists in all living species, ranging from bacteria to humans. Within humans, pyridoxine 5'-phosphate participates in a number of enzymatic reactions. In particular, pyridoxine 5'-phosphate can be biosynthesized from pyridoxine through its interaction with the enzyme pyridoxal kinase. In addition, pyridoxine 5'-phosphate can be converted into pyridoxal 5'-phosphate through its interaction with the enzyme pyridoxine-5'-phosphate oxidase. In humans, pyridoxine 5'-phosphate is involved in vitamin B6 metabolism. Outside of the human body, Pyridoxine 5'-phosphate has been detected, but not quantified in, several different foods, such as welsh onions, sweet marjorams, mango, kales, and oil-seed camellia. This could make pyridoxine 5'-phosphate a potential biomarker for the consumption of these foods. Pyridoxine 5'-phosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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Structure | CC1=NC=C(COP(O)(O)=O)C(CO)=C1O InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) |
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Synonyms | Value | Source |
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Pyridoxine 5'-(dihydrogen phosphate) | ChEBI | Pyridoxine 5-phosphate | ChEBI | Pyridoxine phosphate | ChEBI | PYRIDOXINE-5'-phosphATE | ChEBI | Pyridoxol 5'-phosphate | ChEBI | Pyridoxol 5-phosphate | ChEBI | Pyridoxyl-5-phosphate | ChEBI | Pyridoxine 5'-(dihydrogen phosphoric acid) | Generator | Pyridoxine 5-phosphoric acid | Generator | Pyridoxine phosphoric acid | Generator | PYRIDOXINE-5'-phosphoric acid | Generator | Pyridoxol 5'-phosphoric acid | Generator | Pyridoxol 5-phosphoric acid | Generator | Pyridoxyl-5-phosphoric acid | Generator | Pyridoxine 5'-phosphoric acid | Generator | 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate | HMDB | 5-Hydroxy-6-methyl-3,4-pyridinedimethanol alpha( 3)-(dihydrogen phosphate) | HMDB | Pyridoxine-5P | HMDB | Pyridoxine-p | HMDB | Pyridoxine-phosphate | HMDB | Pyridoxine 5-phosphate hydrochloride | HMDB | 5-Phosphopyridoxine | HMDB |
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Chemical Formula | C8H12NO6P |
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Average Mass | 249.1577 Da |
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Monoisotopic Mass | 249.04022 Da |
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IUPAC Name | {[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid |
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Traditional Name | pyridoxine-5'-phosphate |
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CAS Registry Number | 447-05-2 |
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SMILES | CC1=NC=C(COP(O)(O)=O)C(CO)=C1O |
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InChI Identifier | InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) |
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InChI Key | WHOMFKWHIQZTHY-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyridoxine-5'-phosphates. These are pyridoxines that carry a phosphate group at the 5-position. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Pyridoxines |
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Direct Parent | Pyridoxine-5'-phosphates |
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Alternative Parents | |
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Substituents | - Pyridoxine-5'-phosphate
- Monoalkyl phosphate
- Hydroxypyridine
- Methylpyridine
- Organic phosphoric acid derivative
- Alkyl phosphate
- Phosphoric acid ester
- Heteroaromatic compound
- Azacycle
- Hydrocarbon derivative
- Alcohol
- Aromatic alcohol
- Organic nitrogen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- 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 | 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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