The IUPAC International Chemical Identifier (InChI) is a non-proprietary identifier for chemical substances that can be used in printed and electronic data sources. It is derived solely from a structural representation of that substance, such that a single compound always yields the same identifier.

Prefix

inchi

Keywords

cheminformatics chemistry knowledge and information systems

Links

Homepage @inchi_trust

Contact

Missing Contact

Pattern for Local Unique Identifiers

Local identifiers in InChI should match this regular expression:
^InChI\=1S?\/[A-Za-z0-9\.]+(\+[0-9]+)?(\/[cnpqbtmsih][A-Za-z0-9\-\+\(\)\,\/\?\;\.]+)*$

Example Local Unique Identifier

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3   Resolve

Pattern for CURIES

Compact URIs (CURIEs) constructed from InChI should match this regular expression:
^inchi:InChI\=1S?\/[A-Za-z0-9\.]+(\+[0-9]+)?(\/[cnpqbtmsih][A-Za-z0-9\-\+\(\)\,\/\?\;\.]+)*$

Example CURIE

inchi:InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

Publications

• 2021 InChI version 1.06: now more than 99.99% reliable.
• 2015 InChI, the IUPAC International Chemical Identifier.
• 2015 Many InChIs and quite some feat.

The metaregistry provides mappings between the Bioregistry and other registries. There are 5 mappings to external registries for inchi with 3 unique external prefixes.

Providers are various services that resolve CURIEs to URLs. The example CURIE inchi:InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 is used to demonstrate the provides available for inchi. Generation of OLS and BioPortal URLs requires additional programmatic logic beyond string formatting.

Additional providers curated in the Bioregistry are listed here.