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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 check CHEBI:84952 and CHEBI:84955 #4254

Open amorgat opened 2 years ago

amorgat commented 2 years ago

Hi Adnan, Please would you check the common names and definition of CHEBI:84952 and CHEBI:84955. They are used in https://www.rhea-db.org/rhea/45100 and https://www.rhea-db.org/rhea/45104. According to NC-IUBMB (https://www.enzyme-database.org/query.php?ec=2.1.1.316 ), it seems that the correct names are 6-demethylmitomycin A and 6-demethylmitomycin B and not 7-demethylmitomycin A and 7-demethylmitomycin B. Thank you for your time Best, Anne

amalik01 commented 2 years ago

Hi Anne, The ChEBI common names are correct for both compounds since its based on an old numbering system for mitomycins as shown in Figure 1 of the following article (https://pubs.acs.org/doi/pdf/10.1021/ja0700193). Also see PMID:17461583 and PMID: 21538548 where the 7-position has been demethylated.

The numbering system in the enzyme database is based on the IUPAC numbering system which is not widely used in the scientific literature. Kegg have both names as synonyms (see https://www.genome.jp/entry/C21163). If you want, i can add the other names as synonyms of these entries.