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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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L(+)-Selenomethionine
L_selenomethionine synonyms
Seleno-L-methionine; Selenium-L-methionine; (S)-2-Amino-4-(methylseleno)butanoic acid; Butyric acid, 2-amino-4-(methylselenyl)-, L-; Butanoic acid, 2-amino-4-(methylseleno)-, (S)-; L-Selenomethioninum
Graphical representations:
View large 3D structure
Molecular Formula: C5H11NO2Se
Natural Isotopic Abundance Mass: 196.1063400000
Mono-Isotopic Molecular Masses:
- C12N14: 196.995500402
- C13N14: 202.012274591
- C12N15: 197.992535296
- C13N15: 203.0093094847
InChI string: InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
IUPAC: (2S)-2-amino-4-methylselanyl-butanoic acid
PubChem Compound (CID): 105024CAS Registry number: 3211-76-5
PDB Compound ID: MSE
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)