Proudly Provided by the ChemSpider Team

These web services provide access to methods to manipulate InChI Strings and InChIKeys, including conversion to and from the MOLfile format, checking validity of the InChI identifiers, searching ChemSpider using InChI inputs etc.

Some of the web service operations listed here require a "Security Token". To obtain a token please complete the registration process and visit your Profile page. Your Security Token is listed there.

Please send all feedback to development-at-chemspider-dot-com

The following operations are supported. For a formal definition, please review the Service Description.

• CSIDToMol
  Convert CSID to MOL. Security token is required to get access to this service.
• InChIKeyToCSID
  Convert InChIKey to ChemSpider ID.
• InChIKeyToInChI
  Convert InChIKey to InChI. Internally searches InChIKey against ChemSpider database (>17M unique compounds).
• InChIKeyToMol
  Convert InChIKey to MOL. Internally searches InChIKey against ChemSpider database.
• InChIToCSID
  Convert InChI to ChemSpider ID.
• InChIToInChIKey
  Convert InChI to InChIKey. This works for 1.02b InChI only.
• InChIToMol
  Convert InChI to MOL. Uses OpenBabel internally.
• InChIToSMILES
  Convert InChI to SMILES. Uses OpenBabel internally.
• IsValidInChIKey
  Checks that specified argument is valid InChIKey. Works for v1.02b InChIKey only.
• MolToInChI
  Convert MOL to InChI. Result is v1.02s InChI.
• MolToInChIKey
  Convert MOL to InChIKey. Result is v1.02s InChIKey.
• SMILESToInChI
  Convert SMILES to InChI. Result is v1.02s InChI.