appears_in: []
contact:
  email: jmg11@cam.ac.uk
  name: Stephen R. Heller
  orcid: 0000-0002-5538-8482
depends_on: []
deprecated: false
description: 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.
example: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
example_extras: []
homepage: https://www.ebi.ac.uk/chebi/
keywords:
- centrally registered identifier
- chemical entity
- chemical structure image
- cheminformatics
- chemistry
- molecular entity
- structure
logo: https://api.fairsharing.org/rails/active_storage/blobs/redirect/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaHBBcUVFIiwiZXhwIjpudWxsLCJwdXIiOiJibG9iX2lkIn19--250afbf70b1e3f9c188231ff2fb50477040a71f5/inchi-wheel.png?disposition=inline
mappings:
  biocontext: INCHI
  fairsharing: FAIRsharing.ddk9t9
  miriam: inchi
  n2t: inchi
  wikidata: P234
  wikidata.entity: Q203250
name: InChI
namespace_in_lui: false
pattern: ^InChI\=1S?\/[A-Za-z0-9\.]+(\+[0-9]+)?(\/[cnpqbtmsih][A-Za-z0-9\-\+\(\)\,\/\?\;\.]+)*$
preferred_prefix: inchi
prefix: inchi
providers:
- code: ''
  description: InChI through NIST
  homepage: http://webbook.nist.gov/chemistry
  name: InChI through NIST
  uri_format: http://webbook.nist.gov/cgi/cbook.cgi?$1
- code: um
  description: InChI through RDF Open Molecules
  homepage: http://rdf.openmolecules.net/
  name: InChI through RDF Open Molecules
  uri_format: http://rdf.openmolecules.net/?$1
publications:
- doi: 10.1186/s13321-021-00517-z
  pmc: PMC8147039
  pubmed: '34030732'
  title: 'InChI version 1.06: now more than 99.99% reliable'
  year: 2021
- doi: 10.1186/s13321-015-0068-4
  pmc: PMC4486400
  pubmed: '26136848'
  title: InChI, the IUPAC International Chemical Identifier
  year: 2015
- doi: 10.1007/s10822-015-9854-3
  pubmed: '26081259'
  title: Many InChIs and quite some feat
  year: 2015
- doi: 10.1186/s13321-024-00847-8
  title: InChI isotopologue and isotopomer specifications
  year: 2024
repository: https://github.com/IUPAC-InChI/InChI
synonyms: []
uri_format: https://www.ebi.ac.uk/chebi/advancedSearchFT.do?searchString=$1
