Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Sulfoacetic Acid

Sulfoacetic_acid synonyms

SAT; Sulfoacetic acid; Sulfoacetate


Graphical representations:


View large 3D structure

Molecular Formula: C2H4O5S

Natural Isotopic Abundance Mass: 140.11516

Mono-Isotopic Molecular Masses:

  • C12N14: 139.9779439289
  • C13N14: 141.9846536045
  • C12N15: 139.9779439289
  • C13N15: 141.9846536045

InChI string: InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)

PubChem Compound (CID): 31257
CAS Registry number: 123-43-3
Sigma-Aldrich: 242802_ALDRICH
MMDB: 62124.6
KEGG Compound ID: C14179
MMCD: cq_10020
MDL: MFCD00007521
PDB Compound ID: SAT

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,