Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 01:57:15 UTC |
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Updated at | 2021-07-15 17:24:44 UTC |
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NP-MRD ID | NP0017165 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Yangpumicin A |
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Provided By | NPAtlas |
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Description | Yangpumicin A is found in Micromonospora. Yangpumicin A was first documented in 2017 (PMID: 29086572). Based on a literature review very few articles have been published on (1S,17S,20Z,24R,26R)-4,11,24-trihydroxy-26-[(1R)-1-hydroxyethyl]-25-oxa-16-azahexacyclo[15.7.2.0¹,²⁶.0²,¹⁵.0⁵,¹⁴.0⁷,¹²]Hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione. |
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Structure | [H]OC1=C2C(=O)C3=C4N([H])[C@@]5([H])C#C\C([H])=C([H])/C#C[C@@]([H])(O[H])[C@@]6(O[C@@]56[C@]([H])(O[H])C([H])([H])[H])C4=C([H])C(O[H])=C3C(=O)C2=C([H])C([H])=C1[H] InChI=1S/C26H17NO7/c1-12(28)25-17-9-4-2-3-5-10-18(31)26(25,34-25)14-11-16(30)20-21(22(14)27-17)24(33)19-13(23(20)32)7-6-8-15(19)29/h2-3,6-8,11-12,17-18,27-31H,1H3/b3-2-/t12-,17+,18-,25+,26+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H17NO7 |
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Average Mass | 455.4220 Da |
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Monoisotopic Mass | 455.10050 Da |
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IUPAC Name | (1S,17S,20Z,24R,26R)-4,11,24-trihydroxy-26-[(1R)-1-hydroxyethyl]-25-oxa-16-azahexacyclo[15.7.2.0^{1,26}.0^{2,15}.0^{5,14}.0^{7,12}]hexacosa-2,4,7,9,11,14,20-heptaen-18,22-diyne-6,13-dione |
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Traditional Name | (1S,17S,20Z,24R,26R)-4,11,24-trihydroxy-26-[(1R)-1-hydroxyethyl]-25-oxa-16-azahexacyclo[15.7.2.0^{1,26}.0^{2,15}.0^{5,14}.0^{7,12}]hexacosa-2,4,7,9,11,14,20-heptaen-18,22-diyne-6,13-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H](O)[C@@]12O[C@@]11[C@H](O)C#C\C=C/C#C[C@@H]2NC2=C3C(=O)C4=C(C=CC=C4O)C(=O)C3=C(O)C=C12 |
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InChI Identifier | InChI=1S/C26H17NO7/c1-12(28)25-17-9-4-2-3-5-10-18(31)26(25,34-25)14-11-16(30)20-21(22(14)27-17)24(33)19-13(23(20)32)7-6-8-15(19)29/h2-3,6-8,11-12,17-18,27-31H,1H3/b3-2-/t12-,17+,18-,25+,26+/m1/s1 |
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InChI Key | OBUHDEKWYQCPLP-ZKZHQQDQSA-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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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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