This database has been assembled with the highest accuracy. If you find errors or mistakes, please inform us.

NMR spectrum predictions were created with PERCH NMR Software. 2D structure files were kindly provided by Prof. Masanori Arita. 3D structure files were created using CORINA and Open Babel.

Database search and download of 3D structures are free. Download of the simulated spectra and the prediction related PERCH files is possible upon registration. All access is recorded. Usage is free for academic use. Usage of any information for profit-making or commercial use without permission from us is strictly forbidden. We also request that you add a proper acknowledgement when using our database in your publication or presentation.


Experimental data

Sofia Moco, Jacques Vervoort

NMR prediction and annotation

Reino Laatikainen, Matthias Niemitz, Petrus Korhonen, Velitchka Mihaleva, Frank van Zimmeren


Tim te Beek, Frank van Zimmeren, Marc van Driel, Velitchka Mihaleva


The software is implemented using Java, Hibernate Spring, Wicket and Maven, and is available through the MetIDB trac instance.