NAV

InChI

Synonyms:

  • InChi identifier
  • InChi string
  • IUPAC identifier
  • IUPAC International Chemical Identifier
The IUPAC International Chemical Identifier (InChI) is a non-proprietary, unique identifier for chemical substances that can be used in printed and electronic data sources thus enabling easier linking of diverse data compilations 2, 1. DrugBank uses the Standard InChI which was defined in 2009 by the InChI Trust. Each InChI identifier is unique to a drug and can be found in the "Identification" section of drug entries that are tied to a chemical structure 3.

Also see: InChI key , IUPAC name

References:

  1. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D: InChI, the IUPAC International Chemical Identifier. J Cheminform. 2015 May 30;7:23. doi: 10.1186/s13321-015-0068-4. eCollection 2015. [Article]
  2. The IUPAC International Chemical Identifier [Link]
  3. InChI example, Theobromine entry [File]