BMRB

Biological Magnetic Resonance Data Bank


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

EU-OPENSCREEN Compound 102952

EU-OPENSCREEN Compound 102952 bmse012219 - Data

EU-OPENSCREEN Compound 102952 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C6H13NO2S

Natural Isotopic Abundance Mass: 163.23792

Mono-Isotopic Molecular Masses:

  • C12N14: 163.066699661
  • C13N14: 169.08682868900001
  • C12N15: 164.063734554
  • C13N15: 170.08386358200002

InChI string: InChI=1S/C6H13NO2S/c1-6(2)5(7-3)4-10(6,8)9/h5,7H,4H2,1-3H3/t5-/m0/s1

EU-OPENSCREEN: EOS102952

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, https://www.nature.com/articles/sdata201773)