Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:27:37 UTC |
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Updated at | 2021-07-15 16:54:49 UTC |
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NP-MRD ID | NP0006448 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | TAN-950 A |
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Provided By | NPAtlas |
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Description | 3-(5-Oxoisoxazolin-4-yl)-L-alanine zwitterion is also known as beta-(isoxazolin-5-on-4-yl)-L-alanine. TAN-950 A is found in Streptomyces platensis A-136 (IFO 14603 FERM BP-1786) and Streptomyces sp.. It was first documented in 1991 (PMID: 1680709). Based on a literature review very few articles have been published on 3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion (PMID: 8889043) (PMID: 34380192) (PMID: 34380191) (PMID: 34380190). |
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Structure | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])OC1=O InChI=1S/C6H8N2O4/c7-4(5(9)10)1-3-2-8-12-6(3)11/h2,4,8H,1,7H2,(H,9,10)/t4-/m0/s1 |
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Synonyms | Value | Source |
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3-(5-Oxoisoxazolin-4-yl)-L-alanine | ChEBI | beta-(Isoxazolin-5-on-4-yl)-L-alanine | ChEBI | b-(Isoxazolin-5-on-4-yl)-L-alanine | Generator | Β-(isoxazolin-5-on-4-yl)-L-alanine | Generator | 2-Amino-3-(2,5-dihydro-5-oxo-4-isoxazolyl)propanoic acid | MeSH | TAN-950a | MeSH | Tan 950 a | MeSH |
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Chemical Formula | C6H8N2O4 |
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Average Mass | 172.1400 Da |
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Monoisotopic Mass | 172.04841 Da |
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IUPAC Name | (2S)-2-amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-4-yl)propanoic acid |
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Traditional Name | (2S)-2-amino-3-(5-oxo-2H-1,2-oxazol-4-yl)propanoic acid |
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CAS Registry Number | Not Available |
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SMILES | N[C@@H](CC1=CNOC1=O)C(O)=O |
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InChI Identifier | InChI=1S/C6H8N2O4/c7-4(5(9)10)1-3-2-8-12-6(3)11/h2,4,8H,1,7H2,(H,9,10)/t4-/m0/s1 |
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InChI Key | LVNJBTYSYFSYFG-BYPYZUCNSA-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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General References | - Iwama T, Nagai Y, Tamura N, Harada S, Nagaoka A: A novel glutamate agonist, TAN-950 A, isolated from streptomycetes. Eur J Pharmacol. 1991 May 17;197(2-3):187-92. doi: 10.1016/0014-2999(91)90520-z. [PubMed:1680709 ]
- Ikegami F, Kamiya M, Kuo YH, Lambein F, Murakoshi I: Enzymatic synthesis of two isoxazolylalanine isomers by cysteine synthases in Lathyrus species. Biol Pharm Bull. 1996 Sep;19(9):1214-5. doi: 10.1248/bpb.19.1214. [PubMed:8889043 ]
- Kim S, Park KY, Chung J, Kim YB, Lee JW, Huh SK: Comparative Analysis of Feasibility of the Retrograde Suction Decompression Technique for Microsurgical Treatment of Large and Giant Internal Carotid Artery Aneurysms. J Korean Neurosurg Soc. 2021 Aug 12. pii: jkns.2021.0066. doi: 10.3340/jkns.2021.0066. [PubMed:34380192 ]
- Bahloul M, Kharrat S, Chtara K, Hafdhi M, Turki O, Baccouche N, Ammar R, Kallel N, Hsairi M, Chakroun-Walha O, Hamida CB, Chelly H, Mahfoudh KB, Karoui A, Karray H, Rekik N, Bouaziz M: Clinical characteristics and outcomes of critically ill COVID-19 patients in Sfax, Tunisia. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00129. doi: 10.4266/acc.2021.00129. [PubMed:34380191 ]
- Yi J, Kim KH: Identification and infection control of carbapenem-resistant Enterobacterales in intensive care units. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00409. doi: 10.4266/acc.2021.00409. [PubMed:34380190 ]
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