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-cysteinesulfinic Acid

Graphical representations:


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Molecular Formula: C3H7NO4S

Natural Isotopic Abundance Mass: 153.15698

Mono-Isotopic Molecular Masses:

  • C12N14: 153.0095784083
  • C13N14: 156.0196429217
  • C12N15: 154.0066133015
  • C13N15: 157.0166778149

InChI string: InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1

PubChem Compound (CID): 1549098
CAS Registry number: 1115-65-7
ChEBI: CHEBI:742047
ChemSpider: 1266065
KEGG Compound ID: C00606
PDB Compound ID: CSD

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,