Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 21:51:27 UTC |
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Updated at | 2021-07-15 17:11:52 UTC |
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NP-MRD ID | NP0012473 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Psychrophilin E |
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Provided By | NPAtlas |
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Description | Psychrophilin E is found in Aspergillus sp. Psychrophilin E was first documented in 2014 (PMID: 24483240). Based on a literature review very few articles have been published on N-[(11S,17R)-10-hydroxy-2,16-dioxo-1,9,15-triazapentacyclo[17.6.1.0³,⁸.0¹¹,¹⁵.0²⁰,²⁵]Hexacosa-3,5,7,9,19(26),20,22,24-octaen-17-yl]ethanimidic acid. |
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Structure | [H]N(C(=O)C([H])([H])[H])[C@@]1([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N([H])C2=C([H])C([H])=C([H])C([H])=C2C(=O)N2C([H])=C(C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H] InChI=1S/C25H24N4O4/c1-15(30)26-20-13-16-14-29(21-10-5-3-7-17(16)21)24(32)18-8-2-4-9-19(18)27-23(31)22-11-6-12-28(22)25(20)33/h2-5,7-10,14,20,22H,6,11-13H2,1H3,(H,26,30)(H,27,31)/t20-,22+/m1/s1 |
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Synonyms | Value | Source |
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N-[(11S,17R)-10-Hydroxy-2,16-dioxo-1,9,15-triazapentacyclo[17.6.1.0,.0,.0,]hexacosa-3,5,7,9,19(26),20,22,24-octaen-17-yl]ethanimidate | Generator |
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Chemical Formula | C25H24N4O4 |
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Average Mass | 444.4910 Da |
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Monoisotopic Mass | 444.17976 Da |
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IUPAC Name | N-[(11S,17R)-2,10,16-trioxo-1,9,15-triazapentacyclo[17.6.1.0^{3,8}.0^{11,15}.0^{20,25}]hexacosa-3,5,7,19(26),20,22,24-heptaen-17-yl]acetamide |
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Traditional Name | N-[(11S,17R)-2,10,16-trioxo-1,9,15-triazapentacyclo[17.6.1.0^{3,8}.0^{11,15}.0^{20,25}]hexacosa-3,5,7,19(26),20,22,24-heptaen-17-yl]acetamide |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)N[C@@H]1CC2=CN(C3=CC=CC=C23)C(=O)C2=CC=CC=C2NC(=O)[C@@H]2CCCN2C1=O |
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InChI Identifier | InChI=1S/C25H24N4O4/c1-15(30)26-20-13-16-14-29(21-10-5-3-7-17(16)21)24(32)18-8-2-4-9-19(18)27-23(31)22-11-6-12-28(22)25(20)33/h2-5,7-10,14,20,22H,6,11-13H2,1H3,(H,26,30)(H,27,31)/t20-,22+/m1/s1 |
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InChI Key | YFQDVXKEMBYFSU-IRLDBZIGSA-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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