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 103302

EU-OPENSCREEN Compound 103302 bmse012524 - Data

EU-OPENSCREEN Compound 103302 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C10H19N3O2

Natural Isotopic Abundance Mass: 213.27675999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 213.147726863
  • C13N14: 223.18127524300004
  • C12N15: 216.13883154200002
  • C13N15: 226.17237992200006

InChI string: InChI=1S/C10H19N3O2/c1-4-12(3)10(15)11-9-5-6-13(7-9)8(2)14/h9H,4-7H2,1-3H3,(H,11,15)/t9-/m0/s1

EU-OPENSCREEN: EOS103302

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)