PubChem Essentials

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 Essentials Exercises

 
   Finding compounds using Limits

Launch guide window Launch NCBI Home Page

Goals

  • Find all PubChem Compound records for chiral molecules containing carbon, nitrogen, oxygen and sulfur with a molecular weight between 120 and 200 g/mol.

Steps

  1. Navigate to the PubChem Compounds Limits page
    • On the NCBI home page, choose PubChem Compound from the Database menu and click Go (blank query).
    • Click the Limits tab.

  2. Set the desired limits
    • In the MW from/to boxes, enter 120 and 200, respectively.
    • In the Stereochemistry section, check the Fully specified chiral centers button.
    • In the "periodic table" further down the page, check the boxes for carbon, nitrogen, oxygen and sulfur.

  3. Retrieving the compounds
    • Click the Go button at the top of the page to retrieve the records.
    • Click the Details tab to see how Entrez implemented these limits.
    • Click on the number of records retrieve to return to the compound summaries.

  4. Sorting and displaying the compounds
    • Explore the sorting options available in the Sort by menu.
    • Also explore the various display options in the Display menu (Brief, Summary, Property Report, Synonyms).

  5. Download the compounds
    • To save the compound view currently displayed, select File from the Send to menu.
    • To download full compound records, choose PubChem Download from the Display menu.
    • Choose your preferred format, then click Download.

Revised May 21, 2007