Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 06:32:23 UTC |
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Updated at | 2021-07-15 17:35:55 UTC |
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NP-MRD ID | NP0021273 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | LL-BM726 |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | LL-BM726 is found in Streptomyces. It was first documented in 1985 (PMID: 3839233). Based on a literature review very few articles have been published on 2-[(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid. |
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Structure | [H]OC(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])[C@]1(O[H])C(=O)C([H])=C([H])C1([H])[H] InChI=1S/C13H21N5O5/c14-7(3-2-6-17-12(15)16)10(20)18-9(11(21)22)13(23)5-1-4-8(13)19/h1,4,7,9,23H,2-3,5-6,14H2,(H,18,20)(H,21,22)(H4,15,16,17)/t7-,9+,13-/m1/s1 |
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Synonyms | Value | Source |
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2-[(2-Amino-5-carbamimidamido-1-hydroxypentylidene)amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetate | Generator | LL-BM 726 | MeSH |
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Chemical Formula | C13H21N5O5 |
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Average Mass | 327.3410 Da |
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Monoisotopic Mass | 327.15427 Da |
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IUPAC Name | (2R)-2-[(2R)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-2-[(1S)-1-hydroxy-2-oxocyclopent-3-en-1-yl]acetic acid |
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Traditional Name | (R)-[(2R)-2-amino-5-[(diaminomethylidene)amino]pentanamido][(1S)-1-hydroxy-2-oxocyclopent-3-en-1-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | NC(CCCN=C(N)N)C(=O)NC(C(O)=O)C1(O)CC=CC1=O |
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InChI Identifier | InChI=1S/C13H21N5O5/c14-7(3-2-6-17-12(15)16)10(20)18-9(11(21)22)13(23)5-1-4-8(13)19/h1,4,7,9,23H,2-3,5-6,14H2,(H,18,20)(H,21,22)(H4,15,16,17) |
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InChI Key | DUYFQYOHZRZEAZ-UHFFFAOYSA-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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