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 102738

EU-OPENSCREEN Compound 102738 bmse012021 - Data

EU-OPENSCREEN Compound 102738 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C8H10N2OS

Natural Isotopic Abundance Mass: 182.2428

Mono-Isotopic Molecular Masses:

  • C12N14: 182.05138395
  • C13N14: 190.07822265400003
  • C12N15: 184.045453736
  • C13N15: 192.07229244000004

InChI string: InChI=1S/C8H10N2OS/c9-12(11)6-5-10-7-3-1-2-4-8(7)12/h1-4,9-10H,5-6H2/t12-/m1/s1

EU-OPENSCREEN: EOS102738

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)