BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Selenomethionine

Graphical representations:

Selenomethionine

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-/m1/s1

IUPAC: 2-amino-4-methylselanyl-butanoic acid

PubChem Compound (CID): 15103
KEGG Compound ID: C05335
ChemIDplus: 001464422
CAS Registry number: 1464-42-2 2578-28-1
EINECS: 215-977-0
CCRIS: 3970
HSDB: 3564
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)