Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:39:30 UTC |
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Updated at | 2021-08-19 23:59:19 UTC |
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NP-MRD ID | NP0002751 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acetaldehyde oxime mixture of syn and anti |
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Provided By | BMRB |
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Description | Acetaldehyde oxime, also known as (1E)-ethanal oxime, belongs to the class of organic compounds known as aldoximes. These are organic compounds with the general formula RC(H)=NOH (R = organyl). It was first documented in 1999 (PMID: 10488245). Based on a literature review very few articles have been published on Acetaldehyde oxime (PMID: 17984079). |
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Structure | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ |
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Synonyms | Value | Source |
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(1E)-Ethanal oxime | ChEBI | (1E)-Acetaldehyde oxime | HMDB | Acetaldoxime | HMDB, MeSH | Aldoxime | HMDB, MeSH | Ethanal oxime | HMDB | Ethylidenehydroxylamine | HMDB | Hydroiminoethane | HMDB | Acetaldehyde oxime | MeSH |
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Chemical Formula | C2H5NO |
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Average Mass | 59.0672 Da |
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Monoisotopic Mass | 59.03711 Da |
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IUPAC Name | (E)-N-ethylidenehydroxylamine |
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Traditional Name | usaf AM-5 |
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CAS Registry Number | Not Available |
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SMILES | C\C=N\O |
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InChI Identifier | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ |
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InChI Key | FZENGILVLUJGJX-NSCUHMNNSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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Description | Belongs to the class of organic compounds known as aldoximes. These are organic compounds with the general formula RC(H)=NOH (R = organyl). |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Oximes |
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Direct Parent | Aldoximes |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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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 | 177200 mg/L @ 25 °C (est) | The Good Scents Company Information System | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Skrinjaric-Spoljar M, Burger N, Lovric J: Inhibition of acetylcholinesterase by three new pyridinium compounds and their effect on phosphonylation of the enzyme. J Enzyme Inhib. 1999;14(5):331-41. doi: 10.3109/14756369909030327. [PubMed:10488245 ]
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