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. Returns empty string in case of failure. Security token is required to get access to this service.
• InChIKeyToCSID
  Convert InChIKey to ChemSpider ID. Returns empty string in case of failure.
• InChIKeyToInChI
  Convert InChIKey to InChI. Internally searches InChIKey against ChemSpider database (>17M unique compounds). Returns empty string in case of failure.
• InChIKeyToMol
  Convert InChIKey to MOL. Internally searches InChIKey against ChemSpider database. Returns empty string in case of failure.
• InChIToCSID
  Convert InChI to ChemSpider ID. Returns empty string in case of failure.
• InChIToInChIKey
  Convert InChI to InChIKey. Returns empty string in case of failure.
• InChIToMol
  Convert InChI to MOL. Internally attempts to make conversion applying corresponding OpenBabel filter. Returns empty string in case of failure.
• InChIToSMILES
  Convert InChI to SMILES. Returns empty string in case of failure.
• IsValidInChIKey
  Checks that specified argument is valid InChIKey
• MolToInChI
  Convert MOL to InChI. Returns empty string in case of failure.
• MolToInChIKey
  Convert MOL to InChIKey. Returns empty string in case of failure.
• SMILESToInChI
  Convert SMILES to InChI. Returns empty string in case of failure.