| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-10 18:20:14 UTC |
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| Updated at | 2022-09-10 18:20:14 UTC |
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| NP-MRD ID | NP0303731 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2s)-3-hydroxy-2-[(1-hydroxyethylidene)amino]-n-[(2r,3r,4s,5s,6r)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidic acid |
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| Description | (2S)-3-hydroxy-2-[(1-hydroxyethylidene)amino]-N-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidic acid belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Based on a literature review very few articles have been published on (2S)-3-hydroxy-2-[(1-hydroxyethylidene)amino]-N-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidic acid. |
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| Structure | C[C@H]1O[C@@H](O)[C@H](O)[C@@H](N=C(O)[C@H](CO)N=C(C)O)[C@@H]1O InChI=1S/C11H20N2O7/c1-4-8(16)7(9(17)11(19)20-4)13-10(18)6(3-14)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6+,7+,8-,9-,11-/m1/s1 |
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| Synonyms | | Value | Source |
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| (2S)-3-Hydroxy-2-[(1-hydroxyethylidene)amino]-N-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidate | Generator |
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| Chemical Formula | C11H20N2O7 |
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| Average Mass | 292.2880 Da |
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| Monoisotopic Mass | 292.12705 Da |
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| IUPAC Name | (2S)-3-hydroxy-2-[(1-hydroxyethylidene)amino]-N-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidic acid |
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| Traditional Name | (2S)-3-hydroxy-2-[(1-hydroxyethylidene)amino]-N-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1O[C@@H](O)[C@H](O)[C@@H](N=C(O)[C@H](CO)N=C(C)O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C11H20N2O7/c1-4-8(16)7(9(17)11(19)20-4)13-10(18)6(3-14)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6+,7+,8-,9-,11-/m1/s1 |
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| InChI Key | VICBTWWDBMAFMD-ZPLCTNMYSA-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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. |
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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 | Hexoses |
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| Alternative Parents | |
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| Substituents | - Hexose monosaccharide
- Oxane
- Hemiacetal
- Secondary alcohol
- Carboximidic acid
- Carboximidic acid derivative
- Polyol
- Oxacycle
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Hydrocarbon derivative
- Alcohol
- Primary alcohol
- Organic nitrogen compound
- Organopnictogen compound
- Organonitrogen 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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| 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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