BMRB

Biological Magnetic Resonance Data Bank


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

L-cysteinesulfinic acid

Graphical representations:

L-cysteinesulfinic acid image

Molecular Formula: C3 H7 N O4 S

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

canonical SMILES: C(C(C(=O)O)N)S(=O)O

isomeric SMILES: C([C@@H](C(=O)O)N)S(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2R)-2-amino-3-sulfinopropanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2R)-2-amino-3-sulfino-propionic acid

PUBCHEM iupac OPENEYE NAME
(2R)-2-amino-3-sulfino-propanoic acid

PUBCHEM iupac SYSTEMATIC NAME
(2R)-2-azanyl-3-sulfino-propanoic acid

PubChem Substance (SID):   111677842   32248988   99362379
PubChem Compound (CID):   1549098
KEGG: Compound ID   C00606
CAS Registry IDs:   1115-65-7
PDB Chemical Component   CSD
Miscellaneous Databases and IDs:   ChEBI CHEBI:742047   ChEMBL CHEMBL1160508   ChemSpider 1266065

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.