Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 06:34:54 UTC |
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Updated at | 2021-07-15 17:36:01 UTC |
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NP-MRD ID | NP0021314 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Nikkomycin KZ |
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Provided By | NPAtlas |
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Description | Nikkomycin KZ is found in Streptomyces and Streptomyces tendae. It was first documented in 1985 (PMID: 3972731). Based on a literature review very few articles have been published on Nikkomycin KZ. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])[C@]([H])(O[H])C1=C([H])C([H])=C([H])C([H])=N1)[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@@]([H])(O[H])[C@@]1([H])O[H] InChI=1S/C19H23N5O9/c20-8(7-10(25)9-3-1-2-5-21-9)16(29)23-12(18(30)31)15-13(27)14(28)17(33-15)24-6-4-11(26)22-19(24)32/h1-6,8,10,12-15,17,25,27-28H,7,20H2,(H,23,29)(H,30,31)(H,22,26,32)/t8-,10+,12+,13-,14+,15-,17-/m1/s1 |
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Synonyms | Value | Source |
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(2S)-2-{[(2R,4S)-2-amino-1,4-dihydroxy-4-(pyridin-2-yl)butylidene]amino}-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]acetate | Generator |
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Chemical Formula | C19H23N5O9 |
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Average Mass | 465.4190 Da |
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Monoisotopic Mass | 465.14958 Da |
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IUPAC Name | (2S)-2-[(2R,4S)-2-amino-4-hydroxy-4-(pyridin-2-yl)butanamido]-2-[(2R,3R,4S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
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Traditional Name | (S)-[(2R,4S)-2-amino-4-hydroxy-4-(pyridin-2-yl)butanamido][(2R,3R,4S,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | N[C@H](C[C@H](O)C1=CC=CC=N1)C(=O)N[C@@H]([C@H]1O[C@H]([C@@H](O)[C@H]1O)N1C=CC(=O)NC1=O)C(O)=O |
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InChI Identifier | InChI=1S/C19H23N5O9/c20-8(7-10(25)9-3-1-2-5-21-9)16(29)23-12(18(30)31)15-13(27)14(28)17(33-15)24-6-4-11(26)22-19(24)32/h1-6,8,10,12-15,17,25,27-28H,7,20H2,(H,23,29)(H,30,31)(H,22,26,32)/t8-,10+,12+,13-,14+,15-,17-/m1/s1 |
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InChI Key | QITMOLKAQFBQPD-DTMJTGTDSA-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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Species Where Detected | |
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Chemical Taxonomy |
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Classification | Not classified |
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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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