I am not a chemist or biochemist; I have this giant list of metabolites I need to organise it into a family, class and sub-class.
I am asking if there is a software or online service can do that automatically.
thank you
Dear Rahmani
Please check out this tool: https://www.metabolomicsworkbench.org/databases/refmet/browse.php
Sure! Use ChemRICH: http://chemrich.fiehnlab.ucdavis.edu/class.html and their paper: https://www.nature.com/articles/s41598-017-15231-w
Thanks,
Biswapriya Biswavas Misra Albert Batushansky thank you that was helpfull
I suggest using a ClassyFire https://cfb.fiehnlab.ucdavis.edu/
PUTMEDID https://github.com/RASpicer/MetabolomicsTools/wiki/PUTMEDID%E2%80%90LCMS
this tool gives both putative annotations and biological class
Try Classyfire webserver from Wishart lab U will need just the smiles or inchi as input
http://classyfire.wishartlab.com/
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