Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Methionine Methylsulfonium Iodide

L_methionine_methylsulfonium_iodide synonyms

(1)-(3-Amino-3-carboxypropyl)dimethylsulphonium iodide


Graphical representations:


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Molecular Formula: C6H14NO2SI

Natural Isotopic Abundance Mass: 291.1503300000

Mono-Isotopic Molecular Masses:

  • C12N14: 290.978992389
  • C13N14: 296.999121416
  • C12N15: 291.976027282
  • C13N15: 297.9961563088

InChI string: InChI=1S/C6H13NO2S.HI/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1

IUPAC: (3-amino-3-carboxy-propyl)-dimethyl-sulfanium iodide

PubChem Compound (CID): 200814
CAS Registry number: 34236-06-1
EINECS: 251-893-0

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,