Biological Magnetic Resonance Data Bank

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


Graphical representations:

L(+)-Selenomethionine image

View large 3D structure

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-/m0/s1

isomeric SMILES: C[Se]CC[C@@H](C(=O)O)N

canonical SMILES: C[Se]CCC(C(=O)O)N

(2S)-2-amino-4-methylselanyl-butanoic acid

IUPAC traditional: IUPAC cas
(2S)-2-amino-4-methylseleno-butanoic acid

PubChem Substance (SID):   85164992   682499
PubChem Compound (CID):   105024
KEGG: Compound ID   n/a
CAS Registry IDs:   3211-76-5
PDB Chemical Component   MSE
Miscellaneous Databases and IDs:   n/a

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,