appears_in: [] 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 homepage: http://www.chemspider.com/ keywords: - centrally registered identifier - chemical descriptor - chemical entity - chemical structure - cheminformatics - chemistry - knowledge and information systems - molecular entity - molecular structure mappings: biocontext: INCHI fairsharing: FAIRsharing.ddk9t9 miriam: inchi n2t: inchi wikidata: P234 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: CURATOR_REVIEW 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: ebi description: InChI through ChEBI homepage: https://www.ebi.ac.uk/chebi/ name: InChI through ChEBI uri_format: https://www.ebi.ac.uk/chebi/advancedSearchFT.do?searchString=$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 synonyms: [] twitter: inchi_trust uri_format: http://www.chemspider.com/$1