BMRB

Biological Magnetic Resonance Data Bank


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

Hypotaurine

Graphical representations:

Hypotaurine image

Molecular Formula: C2 H7 N O2 S

Natural Isotopic Abundance Mass: 109.14748

Mono-Isotopic Molecular Masses:

  • C12N14: 109.0197491641
  • C13N14: 111.0264588397
  • C12N15: 110.0167840573
  • C13N15: 112.0234937329

InCHi String:

canonical and isomeric SMILES: C(CS(=O)O)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-aminoethanesulfinic acid

PubChem Substance (SID):   85165241   6285648   24278460
PubChem Compound (CID):   107812
KEGG: Compound ID   C00519
CAS Registry IDs:   300-84-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich H1384_SIGMA   ChEBI CHEBI:16668   ChemIDplus 000300845   ChemSpider 96959   ChemDB 6693298

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.