Compound Search

When multiple databases are selected here, then the specified search criteria will be applied across all selected databases. Note that if many databases are selected, queries can take a substantial amount of time to complete. For this reason, a maximum of 70 databases can be selected. Note that some search criteria may not be available for multi-databases searches.

Enter a compound name, or a database identifier from this database or from an external database such as ChEBI, LIGAND, PubChem or CAS. This database may not contain mappings to all of these other databases. Partial names will generate a substring search on compound names only (not on database identifiers).
Examples: "tryptophan", "C00036"

Browse the compound ontology to a specific compound, or select one or more compound classes to filter your query to only retrieve members of those classes. Note that a large number of compounds have not yet been classified, so are found under the class "an unclassified compound".

Examples:

• Partial match
  • "C12" will retrieve all compounds with exactly 12 carbon atoms and possibly other elements
  • "C12N" will retrieve all compounds with exactly 12 carbons, and one or more nitrogens, and possibly other elements
  • "C6H12O6" will retrieve all compounds with exactly 6 carbons, 12 hydrogens, 6 oxygens, and possibly some other elements
  • "CH4O" will retrieve all compounds with one or more carbon, exactly 4 hydrogens, one or more oxygen, and possibly some other elements
  • "Zn" will retrieve all compounds containing zinc
• Exact match
  • "C6H12O6" will retrieve all compounds with exactly 6 carbons, 12 hydrogens, 6 oxygens, and no other elements
  • "CH4O" will retrieve all compounds with exactly 1 carbon, 4 hydrogens, 1 oxygen, and no other elements

Please see the introduction to the JSME Editor.

Please see the introduction to SMILES.

Paste in the full InChI string, starting with "InChI=".

Paste in the InChI Key string. You may supply either the full key or a prefix string containing either the first character grouping or the first and second character groupings.
Examples: "CKLJMWTZIZZHCS-REOHCLBHSA-M", "CKLJMWTZIZZHCS-REOHCLBHSA", "CKLJMWTZIZZHCS".