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 103298

EU-OPENSCREEN Compound 103298 bmse012520 - Data

EU-OPENSCREEN Compound 103298 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C7H13NO2S

Natural Isotopic Abundance Mass: 175.24862000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 175.066699661
  • C13N14: 182.09018352700002
  • C12N15: 176.063734554
  • C13N15: 183.08721842000003

InChI string: InChI=1S/C7H13NO2S/c1-5(9)7(10)8-6-2-3-11-4-6/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6-/m1/s1

EU-OPENSCREEN: EOS103298

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)