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Some Guidelines for the Creation of Chemical Compound Databases

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For organic compounds provide the salt information in the structure instead of in the notes. Buyers can use exact fragment search to find all available forms of the compound.



Enter all components. If needed, specify details (e.g. fractions) in notes or in a special field.



Draw out all homologues. The buyer usually is interested in a particular compound. Should they be interested in more homologues, they can find them by drawing appropriate structure search query.


  • C-(CH2)n-CH≡CH-(CH2)m-CH≡CH-(CH2)k-CH3


Don't use R-groups. They should be used only in structure search criteria, not as catalog entries.



Structural Isomers

Make a new database entry for each isomer. If they are inter-converting, as in the example of 2'/3'-(N-methyl-anthraniloyl)-adenosine-5'-triphosphate, triethylammonium salt from Jena Bioscience, you can also draw them as a mixture.


Mixtures of stereo-isomers can be treated as other mixtures.


Use the tautomer which you believe is the major species. You don't need to take any other special action. We offer users an option to search for tautomers.

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