Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:38:51 UTC |
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Updated at | 2021-08-12 19:51:58 UTC |
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NP-MRD ID | NP0002724 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | DL-Methionine sulfoxide |
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Provided By | BMRB |
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Description | It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on L-methionine (R)-S-oxide. |
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Structure | C[S@@](=O)CC[C@H](N)C(O)=O InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1 |
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Synonyms | Value | Source |
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L-Methionine-R-sulfoxide | MetaCyc | L-Methionine-R-sulphoxide | Generator | Methionine sulfoxide, (+-)-isomer | MeSH | Methionine sulfoxide, (2R)-isomer | MeSH | Methionine sulfoxide, (2S)-isomer | MeSH | Methionine sulfoxide, (S-(r*,s*))-isomer | MeSH | Methionine sulfoxide, 35S-labeled, (+-)-isomer | MeSH | Methionine sulfoxide | MeSH | Methionine sulfoxide, (R-(r*,s*))-isomer | MeSH |
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Chemical Formula | C5H11NO3S |
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Average Mass | 165.2110 Da |
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Monoisotopic Mass | 165.04596 Da |
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IUPAC Name | (2S)-2-amino-4-[(R)-methanesulfinyl]butanoic acid |
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Traditional Name | L-methionine (R)-S-oxide |
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CAS Registry Number | Not Available |
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SMILES | C[S@@](=O)CC[C@H](N)C(O)=O |
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InChI Identifier | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1 |
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InChI Key | QEFRNWWLZKMPFJ-ZXPFJRLXSA-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 | Not Available |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | L-alpha-amino acids |
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Alternative Parents | |
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Substituents | - L-alpha-amino acid
- Thia fatty acid
- Fatty acid
- Fatty acyl
- Sulfoxide
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Sulfinyl compound
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Amine
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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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 | - 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 ]
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