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: C7H15NO4S

Natural Isotopic Abundance Mass: 209.2633

Mono-Isotopic Molecular Masses:

  • C12N14: 209.0721786651
  • C13N14: 216.0956625297
  • C12N15: 210.0692135583
  • C13N15: 217.0926974229

InChI string: InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

PubChem Compound (CID): 70807
CAS Registry number: 1132-61-2
MMCD: cq_14399
MDL: MFCD00006183
Sigma-Aldrich: M1254_SIGMA
ChEBI: CHEBI:44115
PDB Compound ID: MPO

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,