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:


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Molecular Formula: C5H11NO2S

Natural Isotopic Abundance Mass: 149.2113400000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/f/h7H

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

PubChem Compound (CID): 6137
KEGG Compound ID: C00073
CAS Registry number: 24425-78-3 63-68-3 7005-18-7
ChEBI: 16643
NSC: 22946
EINECS: 200-562-9
CCRIS: 5536 5528
HSDB: 4317

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,