Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 02:40:37 UTC |
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Updated at | 2021-07-15 16:52:00 UTC |
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NP-MRD ID | NP0005438 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | L-Prolylhydroxy-L-proline diketopiperazi |
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Provided By | NPAtlas |
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Description | L-Prolylhydroxy-L-proline diketopiperazi is found in Aspergillus fumigatus, Ruegeria sp. and Streptomyces xanthophaeus. It was first documented in 2004 (PMID: 15270577). Based on a literature review very few articles have been published on UNII-1S0GU6E681. |
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Structure | [H]O[C@@]1([H])C([H])([H])N2C(=O)[C@@]3([H])N(C(=O)[C@]2([H])C1([H])[H])C([H])([H])C([H])([H])C3([H])[H] InChI=1S/C10H14N2O3/c13-6-4-8-10(15)11-3-1-2-7(11)9(14)12(8)5-6/h6-8,13H,1-5H2/t6-,7+,8+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C10H14N2O3 |
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Average Mass | 210.2330 Da |
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Monoisotopic Mass | 210.10044 Da |
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IUPAC Name | (3S,5R,9S)-5-hydroxy-1,7-diazatricyclo[7.3.0.0^{3,7}]dodecane-2,8-dione |
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Traditional Name | (3S,5R,9S)-5-hydroxy-1,7-diazatricyclo[7.3.0.0^{3,7}]dodecane-2,8-dione |
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CAS Registry Number | Not Available |
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SMILES | O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H]1CCCN1C2=O |
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InChI Identifier | InChI=1S/C10H14N2O3/c13-6-4-8-10(15)11-3-1-2-7(11)9(14)12(8)5-6/h6-8,13H,1-5H2/t6-,7+,8+/m1/s1 |
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InChI Key | NUWIAVSANIAUAA-CSMHCCOUSA-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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