ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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Please fix CHEBI:183059 smiles #4332

Closed amorgat closed 1 year ago

amorgat commented 1 year ago

Hi Adnan, CHEBI:183059 smiles = "CC\C=[S+]/[O-]" is erroneous. The Rgroup is missing in it. (consequently, it has the same smiles as CHEBI:183657) Please could you fix CHEBI:183059 smiles as this ChEBI is used in Rhea. Thank you Anne

amalik01 commented 1 year ago

Now fixed. Thanks