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#356 Missing mass

pending-accepted
Adriano Dekker
ChEBI Exporter (15)
5
2015-11-17
2011-03-28
François Le Fèvre
No

Dear ChEBI team,
when I retrieve data through the sdf file, some molecules have the field Mass filed whereas another do not have.
do you any idea why?

for example the molecule: CHEBI:15714 seems no to have a Mass attributes in the export file (ComplteSdf)

could you precompute all mass when a chemical formula is available?

Thank a lot

Francois

Discussion

  • pmatos

    pmatos - 2011-03-30

    Dear Francois,

    Thanks for reporting this bug. We have had a problem with some of the chemical data. We are in the process of regenerating them in the next month.

    In the mean time we will fix this entry.

    Thanks,
    Paula

     

  • Adriano Dekker

    Adriano Dekker - 2011-06-15

    Hi,
    I believe it was fixed months ago, but I want to add that groups, polymeres and any generic structure with R# or * shouldn't have mass.

    Please let us know if you can parse the file now.

    Regards,
    Adriano.

     

  • Adriano Dekker

    Adriano Dekker - 2011-06-15
    • assigned_to: khaug --> adekker2
    • status: open --> open-accepted
     

  • Amit Walinjkar

    Amit Walinjkar - 2012-01-06

    Generation of mass for compounds with chemical formula is in process and will be updated by the next release. We are aware of this issue and are in the process of implementing a solution. Please note that some compounds with no definite chemical formula e.g. formulae containing R groups, polymers, will not have any mass calculated.

     

  • Amit Walinjkar

    Amit Walinjkar - 2012-01-06
    • status: open-accepted --> pending-accepted
     

  • Venkatesh Muthukrishnan

    Venkatesh Muthukrishnan - 2015-11-17

    Still its like this one good ex. is CHEBI:2303 doesnt have a mass...