Archive for the ChemSpider Services Category

The services page at ChemSpider offers a number of valuable capabilities for chemists. For those of you working with amino acids you might be interested in having an easy way to convert an amino acid sequence to a chemical structure. The services page allows you to do this. Simply enter the sequence using the usual three letter amino acid codes as a string and click on Convert to Structure to generated the chemical structure associated with the sequence. The structure can then be downloaded to the desktop as a molfile and opened up in your standard structure editor. If you do not have a structure editor download the ChemSketch Freeware. The image below is generated by typing Gly-Trp-Glu in the dialog box.


From this point you can generate properties or search the structure in ChemSpider. the same general approach is true for chemical names and other identifiers. Input a chemical name, InChI code, SMILES string and convert to chemical structure. These capabilities are delivered using the strengths of the ACD/Name to Structure package provided by our collaborator Advanced Chemistry Development. Enjoy!