BMRB

Biological Magnetic Resonance Data Bank


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

sulfoacetic acid

sulfoacetic acid synonyms

SAT; Sulfoacetic acid; Sulfoacetate

Wikipedia:

Graphical representations:

sulfoacetic acid image

Molecular Formula: C2 H4 O5 S

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)

canonical and isomeric SMILES: C(C(=O)O)S(=O)(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-sulfoacetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-sulfoethanoic acid

PubChem Substance (SID):   111677774   46530340   24854584
PubChem Compound (CID):   31257
KEGG: Compound ID   C14179
CAS Registry IDs:   123-43-3
PDB Chemical Component   SAT
Miscellaneous Databases and IDs:   Sigma-Aldrich 242802_ALDRICH   MMDB 62124.6   MMCD cq_10020   MDL MFCD00007521

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.