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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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Selenomethionine
Selenomethionine synonyms
Butanoic acid, 2-amino-4-(methylseleno)-; Methionine, seleno; Seleno-DL-methionine; 2-Amino-4-(methylselenyl)butyric acid; DL-Selenomethionine; Butyric acid, 2-amino-4-(methylselenyl)-; Selenomethionine; (+-)-Selenomethionine; SELENIUM METHIONINE; Selenomethionine (van); Selenomethionine [USAN]
Molecular Formula: C5 H11 N O2 Se
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-/m1/s1
canonical SMILES: C[Se]CCC(C(=O)O)N
IUPAC: IUPAC openeye: IUPAC systematic
2-amino-4-methylselanyl-butanoic acid
IUPAC traditional: IUPAC cas
2-amino-4-methylseleno-butanoic acid
PubChem Compound (CID): 15103
KEGG: Compound ID C05335
CAS Registry IDs: 1464-42-2 2578-28-1
PDB Chemical Component MSE
Miscellaneous Databases and IDs: ChemIDplus 001464422 EINECS 215-977-0 CCRIS 3970 HSDB 3564
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: 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