BMRB

Biological Magnetic Resonance Data Bank


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

DSS

Graphical representations:

DSS image

Molecular Formula: C6 H15 O3 Na Si S

Natural Isotopic Abundance Mass: 218.32177

Mono-Isotopic Molecular Masses:

  • C12N14: 218.0408862405
  • C13N14: 224.0610152673
  • C12N15: 218.0408862405
  • C13N15: 224.0610152673

InCHi String: InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1

canonical and isomeric SMILES: C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
sodium 3-trimethylsilylpropane-1-sulfonate

PUBCHEM iupac CAS NAME
sodium 3-trimethylsilyl-1-propanesulfonate

PubChem Substance (SID):   126596835   24850773
PubChem Compound (CID):   5167273
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 2039-96-5   MDL number MFCD00007537   Beilstein Registry Number 4035923   EC Number 218-031-5   Sigma-Aldrich 178837_ALDRICH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.