BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Oxane-4-carboxamide

Oxane-4-carboxamide bmse012179 - Data

Oxane-4-carboxamide synonyms

Wikipedia:

Graphical representations:

oxane-4-carboxamide

View large 3D structure

Molecular Formula: C6H11NO2

Natural Isotopic Abundance Mass: 129.15704

Mono-Isotopic Molecular Masses:

  • C12N14: 129.078978597
  • C13N14: 135.09910762500002
  • C12N15: 130.07601349
  • C13N15: 136.09614251800002

InChI string: InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)

EU-OPENSCREEN: EOS102908

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)