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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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wrong formulae for NAE and NASer (N-acyl amines) #4234

Closed ANiknejad closed 2 years ago

ANiknejad commented 2 years ago

Hello ChEBI team,

there are error in formula for N-acyl ethanolamine (see issue #4233) and for N-acyl serine

correct formula should be C19H37NO4, as this is correct in CHEBI:165558 N-Palmitoyl serine, a 2-star entry that still needs review, and merge

As a consequence, wrong formula in CHEBI:134167 N-acylserine 16:1

correct formula should be C21H41NO4, as this is correct in CHEBI:165572 N-Stearoyl serine, a 2-star entry that still needs review, and merge

As a consequence, wrong formula in CHEBI:134169 N-acylserine 18:1 CHEBI:134170 N-acylserine 18:2

correct formula should be C23H37NO4, as this is correct in CHEBI:143514 N-arachidonoyl-L-serine

As a consequence, wrong formula in CHEBI:134172 N-acylserine 20:6 should be C23H33NO4

amalik01 commented 2 years ago

I have corrected the formula, mass and monoisotopic masses of these entries. I haven't merged any of the entries as you suggested since they are separate entries. The correct way would be to fix the hierarchical structure of the ontology. For example N-Palmitoyl serine (CHEBI:165558) is_a N-acyl-L-serine 16:0 ( term currently missing in ChEBI) is_a N-acylserine 16:0 (CHEBI:134166) is_a N-acylserine (CHEBI:134123).