Validation Example 4

Entry C04908 in KEGG (1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide):

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contains the Br3− anion which is a very unlikely species. The name clearly indicates that it should simply be the bromide (Br) anion. The formula from KEGG (C14H18N3O2.Br) indicates that the tribromide anion (Br3) is not meant either.

Entry MC004209 in BioMeta has now the correct structure:

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