Biological Magnetic Resonance Data Bank

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

DL-Methionine Sulfoxide

Graphical representations:


View large 3D structure

Molecular Formula: C5H11NO3S

Natural Isotopic Abundance Mass: 165.21074

Mono-Isotopic Molecular Masses:

  • C12N14: 165.0459639146
  • C13N14: 170.0627381036
  • C12N15: 166.0429988078
  • C13N15: 171.0597729968

InChI string: InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1

PubChem Compound (CID): 847
CAS Registry number: 4241-59-2 454-41-1 62697-73-8
Sigma-Aldrich: 64430_FLUKA
ChemIDplus: 062697738
ChemSpider: 824
EINECS: 207-225-5
DrugBank: DB02467
ChemDB: 4116650
PDB Compound ID: MHO SME

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,