BMRB

Biological Magnetic Resonance Data Bank


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

Tropinone

Graphical representations:

Tropinone image

View large 3D structure

Molecular Formula: C8H13NO

Natural Isotopic Abundance Mass: 139.19492

Mono-Isotopic Molecular Masses:

  • C12N14: 139.099714041
  • C13N14: 147.126552745
  • C12N15: 140.096748934
  • C13N15: 148.123587638

InChI String: InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   79038
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   BMRB Ligand Expo TNE

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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