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
Creative Commons Attribution 4.0 International
39 stars 10 forks source link

Wrong class descriptions #4485

Closed eriksson1800 closed 3 months ago

eriksson1800 commented 4 months ago

Here are a few incorrect class description my team and I have stumbled across:

amalik01 commented 3 months ago

Hi, There is nothing wrong with the definition in ChEBI for bridged compounds since we are referring to the common atoms between the two rings (also known as the bridgehead atoms). See image below which describes the difference between a bridged compound and a fused compound:

image

The Wikipedia definition is also fine since they are not referring to the common atoms and instead mention the bridge which needs 3 or more atoms.

The SMILES are generated automatically based on the chemical structure input. The SMILES for organochlorine compound has now been regenerated as Cl[]. The symbol is treated by SMILES as a valid atomic symbol meaning 'unspecified atomic number'. There is nothing I can do to make sure that R contains at least one carbon atom since we do not have the ability to edit the SMILES in the curator tool.

I will try and fix the structure or ChEBI name of aliphatic amide (CHEBI:65285) after informing the submitter who deposited this entry to ChEBI.

Thanks

amalik01 commented 3 months ago

I have updated the definition of bridged compound so that it is clear to the user.