Data collection: InChI

General information

Recommended name InChI Collection has restriction(s) logo
Alternative name(s)
  • IUPAC International Chemical Identifier
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.
Identifier pattern^InChI\=1S?\/[A-Za-z0-9]+(\+[0-9]+)?(\/[cnpqbtmsih][A-Za-z0-9\-\+\(\)\,\/]+)*$
Registry identifierMIR:00000383

Identification schemes

Namespace inchi
URI http://identifiers.org/inchi/
Alternative URI schemes  
  • urn:miriam:inchi

Physical locations (resources)

Resource
MIR:00100493
Description InChI through NIST
Access URLs HTML   (using the example identifier: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3)
Institution National Institute of Standards and Technology, Gaithersburg, Maryland, USA
Website http://webbook.nist.gov/chemistry
Resource
MIR:00100492
Description InChI through Chemspider
Access URLs HTML   (using the example identifier: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3)
Institution Royal Society of Chemistry, Cambridge, UK
Website http://www.chemspider.com/
Resource
MIR:00100494
Description InChI through ChEBI
Access URLs HTML   (using the example identifier: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3)
Institution European Bioinformatics Institute, Hinxton, Cambridge, UK
Website http://www.ebi.ac.uk/chebi/
Resource
MIR:00100491
Description InChI through RDF Open Molecules
Access URLs HTML   (using the example identifier: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3)
Institution BiGCaT, Department of Bioinformatics, Maastricht, Netherlands
Website http://rdf.openmolecules.net/

References