Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 06:24:52 UTC |
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Updated at | 2021-07-15 17:35:30 UTC |
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NP-MRD ID | NP0021119 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyridazomycin |
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Provided By | NPAtlas |
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Description | Pyridazomycin is found in Streptomyces and Streptomyces violaceusniger sp. griseofuscus (strain T.2557). It was first documented in 1988 (PMID: 3384747). Based on a literature review very few articles have been published on 1-[(4S)-4-amino-4-carboxybutyl]-4-(C-hydroxycarbonimidoyl)pyridazin-1-ium. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]1=C([H])C([H])=C(C([H])=N1)C(=O)N([H])[H] InChI=1S/C10H14N4O3/c11-8(10(16)17)2-1-4-14-5-3-7(6-13-14)9(12)15/h3,5-6,8H,1-2,4,11H2,(H2-,12,15,16,17)/p+1/t8-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C10H15N4O3 |
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Average Mass | 239.2540 Da |
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Monoisotopic Mass | 239.11387 Da |
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IUPAC Name | 1-[(4S)-4-amino-4-carboxybutyl]-4-carbamoylpyridazin-1-ium |
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Traditional Name | 1-[(4S)-4-amino-4-carboxybutyl]-4-carbamoylpyridazin-1-ium |
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CAS Registry Number | Not Available |
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SMILES | N[C@@H](CCC[N+]1=NC=C(C=C1)C(N)=O)C(O)=O |
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InChI Identifier | InChI=1S/C10H14N4O3/c11-8(10(16)17)2-1-4-14-5-3-7(6-13-14)9(12)15/h3,5-6,8H,1-2,4,11H2,(H2-,12,15,16,17)/p+1/t8-/m0/s1 |
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InChI Key | CMJGDZIQSOCNDZ-QMMMGPOBSA-O |
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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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