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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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currently no relationships between CHEBI:70800 and CHEBI:70783 #4478

Closed ANiknejad closed 7 months ago

ANiknejad commented 7 months ago

Hi ChEBI Team,

As an user, I would like having a direct relation between this 2 compounds (is conjugate acid of/is conjugate base of )

CHEBI:70800 CDP-4-dehydro-3,6-dideoxy-α-D-glucose CHEBI:70783 CDP-4-dehydro-3,6-dideoxy-α-D-glucose(2−)

the fact that CHEBI:70800 has currently only the relationship CDP-4-dehydro-3,6-dideoxy-α-D-glucose (CHEBI:70800) is a CDP-4-dehydro-3,6-dideoxy-D-glucose ([CHEBI:17817) makes me wondering if CHEBI:58283 CDP-4-dehydro-3,6-dideoxy-D-glucose(2-) (no reaction associated to this compound) AND CHEBI:70783 CDP-4-dehydro-3,6-dideoxy-α-D-glucose(2−) (https://www.rhea-db.org/rhea/19653) should be merged?

Many thanks in advance for your help.

Anne

amalik01 commented 7 months ago

Hi Anne,

The conjugate acid/base relationship has been added for CHEBI:70800 and CHEBI:70783.

CHEBI:58283 and CHEBI:70783 cannot be merged since they are different structures. One of the entries has an α-D-glucose moiety in the structure and the other has a D-glucose moiety.