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-Methionine image

View large 3D structure

Molecular Formula: C5 H11 N O2 S

Natural Isotopic Abundance Mass: 149.2113400000

Mono-Isotopic Molecular Masses:

  • C12N14: 149.051049293
  • C13N14: 154.067823481
  • C12N15: 150.048084186
  • C13N15: 155.0648583747

InChI String: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

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

canonical SMILES: CSCCC(C(=O)O)N

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

PubChem Substance (SID):   85164892   149032   3373
PubChem Compound (CID):   6137
KEGG: Compound ID   C00073
CAS Registry IDs:   24425-78-3   63-68-3   7005-18-7
PDB Chemical Component   MET   MET_LFOH
Miscellaneous Databases and IDs:   CHEBI 16643   NSC 22946   EINECS 200-562-9   CCRIS 5536   HSDB 4317   CCRIS 5528

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,