Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 09:22:24 UTC |
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Updated at | 2022-09-05 09:22:25 UTC |
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NP-MRD ID | NP0211203 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 6-hydroxy-3-[(2r,3r,4s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7h-imidazo[4,5-d][1,2,3]triazin-4-one |
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Description | 6-Hydroxy-3-[(2R,3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H,4H,7H-imidazo[4,5-d][1,2,3]triazin-4-one belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). 6-hydroxy-3-[(2r,3r,4s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7h-imidazo[4,5-d][1,2,3]triazin-4-one is found in Lepista sordida. Based on a literature review very few articles have been published on 6-hydroxy-3-[(2R,3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H,4H,7H-imidazo[4,5-d][1,2,3]triazin-4-one. |
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Structure | OCC1O[C@H]([C@H](O)[C@@H](O)C1O)N1N=NC2=C(N=C(O)N2)C1=O InChI=1S/C10H13N5O7/c16-1-2-4(17)5(18)6(19)9(22-2)15-8(20)3-7(13-14-15)12-10(21)11-3/h2,4-6,9,16-19H,1H2,(H2,11,12,21)/t2?,4?,5-,6+,9+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C10H13N5O7 |
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Average Mass | 315.2420 Da |
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Monoisotopic Mass | 315.08150 Da |
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IUPAC Name | 6-hydroxy-3-[(2R,3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H,4H,7H-imidazo[4,5-d][1,2,3]triazin-4-one |
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Traditional Name | 6-hydroxy-3-[(2R,3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7H-imidazo[4,5-d][1,2,3]triazin-4-one |
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CAS Registry Number | Not Available |
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SMILES | OCC1O[C@H]([C@H](O)[C@@H](O)C1O)N1N=NC2=C(N=C(O)N2)C1=O |
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InChI Identifier | InChI=1S/C10H13N5O7/c16-1-2-4(17)5(18)6(19)9(22-2)15-8(20)3-7(13-14-15)12-10(21)11-3/h2,4-6,9,16-19H,1H2,(H2,11,12,21)/t2?,4?,5-,6+,9+/m0/s1 |
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InChI Key | VSJLOSHYLAZFPD-BHLXKWOMSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). |
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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 | Glycosylamines |
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Alternative Parents | |
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Substituents | - Hexose monosaccharide
- N-glycosyl compound
- Triazinone
- Amino-1,2,3-triazine
- 1,2,3-triazine
- Triazine
- Oxane
- Monosaccharide
- Heteroaromatic compound
- Vinylogous amide
- Imidazole
- Azole
- Secondary alcohol
- Lactam
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Polyol
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organonitrogen compound
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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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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