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 102561

EU-OPENSCREEN Compound 102561 bmse011859 - Data

EU-OPENSCREEN Compound 102561 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C13H19N3

Natural Isotopic Abundance Mass: 217.31005999999996

Mono-Isotopic Molecular Masses:

  • C12N14: 217.157897623
  • C13N14: 230.20151051700006
  • C12N15: 220.149002302
  • C13N15: 233.19261519600008

InChI string: InChI=1S/C13H19N3/c1-13(2,3)12-14-7-9-10-5-4-8(15-10)6-11(9)16-12/h7-8,10,15H,4-6H2,1-3H3/t8-,10+/m0/s1

EU-OPENSCREEN: EOS102561

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)