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 102905

EU-OPENSCREEN Compound 102905 bmse012176 - Data

EU-OPENSCREEN Compound 102905 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C7H12N2O

Natural Isotopic Abundance Mass: 140.18298

Mono-Isotopic Molecular Masses:

  • C12N14: 140.094963014
  • C13N14: 147.11844688000002
  • C12N15: 142.0890328
  • C13N15: 149.11251666600003

InChI string: InChI=1S/C7H12N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h6,8H,1-5H2/t6-/m0/s1

EU-OPENSCREEN: EOS102905

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)