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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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Adding new term to ChEBI Submission Tool using structure broken #4496

Closed cerivs closed 1 month ago

cerivs commented 1 month ago

As you can see from the image the ChEBI Submission Tool If I upload a MOL file the tool isn't calculating a Chemical formula, Average Mass, InChI or InChIKey. The uploaded file isn't being displayed if the submission is given a record see CHEBI:231400 - 6-nitro-2-octyl-2H-chromene and frequently the submission fails with the error 

Error during submission - could not execute statement; SQL [n/a]; constraint [null]; nested exception is org.hibernate.exception.ConstraintViolationException: could not execute statement Caused by:ORA-01400: cannot insert NULL into ("CHEBI"."IMAGE_PRECOMPUTES"."IMAGE")

image

amalik01 commented 1 month ago

I hope this issue has now been resolved as discussed via e-mail. I think the issue arises due to the uploading of an incompatible MOL file.