| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 10:33:18 UTC |
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| Updated at | 2022-09-12 10:33:18 UTC |
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| NP-MRD ID | NP0327720 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | [({[(2s,3r,4s,5s)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}(hydroxy)methylidene)amino]acetic acid |
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| Description | N-[5-(Dimethylarsinoyl)-5-deoxy-beta-D-ribofuranosyloxycarbonyl]glycine belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. [({[(2s,3r,4s,5s)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}(hydroxy)methylidene)amino]acetic acid is found in Tridacna maxima. Based on a literature review very few articles have been published on N-[5-(Dimethylarsinoyl)-5-deoxy-beta-D-ribofuranosyloxycarbonyl]glycine. |
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| Structure | C[As](C)(=O)C[C@H]1O[C@@H](OC(O)=NCC(O)=O)[C@H](O)[C@@H]1O InChI=1S/C10H18AsNO8/c1-11(2,18)3-5-7(15)8(16)9(19-5)20-10(17)12-4-6(13)14/h5,7-9,15-16H,3-4H2,1-2H3,(H,12,17)(H,13,14)/t5-,7-,8-,9+/m1/s1 |
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| Synonyms | | Value | Source |
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| N-[5-(Dimethylarsinoyl)-5-deoxy-b-D-ribofuranosyloxycarbonyl]glycine | Generator | | N-[5-(Dimethylarsinoyl)-5-deoxy-β-D-ribofuranosyloxycarbonyl]glycine | Generator |
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| Chemical Formula | C10H18AsNO8 |
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| Average Mass | 355.1750 Da |
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| Monoisotopic Mass | 355.02484 Da |
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| IUPAC Name | 2-[({[(2S,3R,4S,5S)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}(hydroxy)methylidene)amino]acetic acid |
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| Traditional Name | [({[(2S,3R,4S,5S)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}(hydroxy)methylidene)amino]acetic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C[As](C)(=O)C[C@H]1O[C@@H](OC(O)=NCC(O)=O)[C@H](O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C10H18AsNO8/c1-11(2,18)3-5-7(15)8(16)9(19-5)20-10(17)12-4-6(13)14/h5,7-9,15-16H,3-4H2,1-2H3,(H,12,17)(H,13,14)/t5-,7-,8-,9+/m1/s1 |
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| InChI Key | YJHUGXJKGUZNQB-YYNOVJQHSA-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 pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
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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 | Pentoses |
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| Alternative Parents | |
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| Substituents | - Alpha-amino acid or derivatives
- Pentose monosaccharide
- Pentaorganoarsane
- Tetrahydrofuran
- Carbamic acid ester
- Trialkylarsane oxide
- 1,2-diol
- Secondary alcohol
- Carbonic acid derivative
- Oxygen-containing organoarsenic compound
- Carboxylic acid derivative
- Oxacycle
- Organic metalloid salt
- Organoheterocyclic compound
- Carboxylic acid
- Acetal
- Alkylarsine oxide
- Monocarboxylic acid or derivatives
- Organic oxide
- Organoarsenic compound
- Organonitrogen compound
- Organic salt
- Hydrocarbon derivative
- Carbonyl group
- Organic nitrogen compound
- Organopnictogen compound
- Alcohol
- 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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