Record Information |
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Version | 1.0 |
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Created at | 2022-09-08 22:19:10 UTC |
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Updated at | 2022-09-08 22:19:10 UTC |
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NP-MRD ID | NP0274801 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {[5-(2-amino-n-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-3h,3ah,6h,7h,7ah-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl]oxy}methanimidic acid |
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Description | {[5-(2-Amino-N-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-3H,3aH,4H,5H,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl]oxy}methanimidic acid 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). {[5-(2-amino-n-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-3h,3ah,6h,7h,7ah-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl]oxy}methanimidic acid is found in Streptomyces griseus. {[5-(2-Amino-N-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-3H,3aH,4H,5H,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl]oxy}methanimidic acid is a very strong basic compound (based on its pKa). |
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Structure | CN(C1C(O)C(OC(N)=O)C(CO)OC1NC1=NC2C(N1)C(O)CN(C)C2=O)C(=O)CN InChI=1S/C17H29N7O8/c1-23-4-6(26)9-10(15(23)29)21-17(20-9)22-14-11(24(2)8(27)3-18)12(28)13(32-16(19)30)7(5-25)31-14/h6-7,9-14,25-26,28H,3-5,18H2,1-2H3,(H2,19,30)(H2,20,21,22) |
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Synonyms | Value | Source |
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{[5-(2-amino-N-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-3H,3ah,4H,5H,6H,7H,7ah-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl]oxy}methanimidate | Generator |
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Chemical Formula | C17H29N7O8 |
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Average Mass | 459.4600 Da |
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Monoisotopic Mass | 459.20776 Da |
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IUPAC Name | 5-(2-amino-N-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-1H,3aH,4H,5H,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl carbamate |
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Traditional Name | 5-(2-amino-N-methylacetamido)-4-hydroxy-6-({7-hydroxy-5-methyl-4-oxo-1H,3aH,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl}amino)-2-(hydroxymethyl)oxan-3-yl carbamate |
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CAS Registry Number | Not Available |
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SMILES | CN(C1C(O)C(OC(N)=O)C(CO)OC1NC1=NC2C(N1)C(O)CN(C)C2=O)C(=O)CN |
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InChI Identifier | InChI=1S/C17H29N7O8/c1-23-4-6(26)9-10(15(23)29)21-17(20-9)22-14-11(24(2)8(27)3-18)12(28)13(32-16(19)30)7(5-25)31-14/h6-7,9-14,25-26,28H,3-5,18H2,1-2H3,(H2,19,30)(H2,20,21,22) |
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InChI Key | IGGCBWFVVFZDLU-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, 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 | - Alpha-amino acid amide
- Hexose monosaccharide
- N-glycosyl compound
- Alpha-amino acid or derivatives
- Imidazopyridine
- Delta-lactam
- Piperidinone
- Monosaccharide
- Oxane
- Piperidine
- 2-imidazoline
- Carbamic acid ester
- Tertiary carboxylic acid amide
- Lactam
- Amino acid or derivatives
- Carboxamide group
- Secondary alcohol
- Guanidine
- Oxacycle
- Carboxylic acid derivative
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Amine
- Hydrocarbon derivative
- Carbonyl group
- Primary amine
- Primary alcohol
- Primary aliphatic amine
- Organonitrogen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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