Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 00:32:49 UTC |
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Updated at | 2021-07-15 17:19:43 UTC |
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NP-MRD ID | NP0015354 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ficellomycin |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Ficellomycin is found in Streptomyces ficellus. It was first documented in 1989 (PMID: 2708128). Based on a literature review very few articles have been published on (2S)-2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-2-[(2S,4S,5R)-4-carbamimidamido-1-azabicyclo[3.1.0]Hexan-2-yl]acetic acid. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])[N@@]2C([H])([H])[C@]2([H])[C@@]([H])(N=C(N([H])[H])N([H])[H])C1([H])[H] InChI=1S/C13H24N6O3/c1-5(2)9(14)11(20)18-10(12(21)22)7-3-6(17-13(15)16)8-4-19(7)8/h5-10H,3-4,14H2,1-2H3,(H,18,20)(H,21,22)(H4,15,16,17)/t6-,7-,8+,9+,10-,19-/m0/s1 |
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Synonyms | Value | Source |
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(2S)-2-[(2-Amino-1-hydroxy-3-methylbutylidene)amino]-2-[(2S,4S,5R)-4-carbamimidamido-1-azabicyclo[3.1.0]hexan-2-yl]acetate | Generator |
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Chemical Formula | C13H24N6O3 |
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Average Mass | 312.3740 Da |
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Monoisotopic Mass | 312.19099 Da |
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IUPAC Name | (2S)-2-[(2R)-2-amino-3-methylbutanamido]-2-[(1S,2S,4S,5R)-4-[(diaminomethylidene)amino]-1-azabicyclo[3.1.0]hexan-2-yl]acetic acid |
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Traditional Name | (S)-[(2R)-2-amino-3-methylbutanamido][(1S,2S,4S,5R)-4-[(diaminomethylidene)amino]-1-azabicyclo[3.1.0]hexan-2-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)C(N)C(=O)N[C@@H]([C@@H]1C[C@H](N=C(N)N)[C@H]2CN12)C(O)=O |
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InChI Identifier | InChI=1S/C13H24N6O3/c1-5(2)9(14)11(20)18-10(12(21)22)7-3-6(17-13(15)16)8-4-19(7)8/h5-10H,3-4,14H2,1-2H3,(H,18,20)(H,21,22)(H4,15,16,17)/t6-,7-,8+,9?,10-,19?/m0/s1 |
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InChI Key | DGIHWRUPUISVIZ-WGNILSTHSA-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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