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.
inchi
Local identifiers in InChI should match this
regular expression:
^InChI\=1S?\/[A-Za-z0-9\.]+(\+[0-9]+)?(\/[cnpqbtmsih][A-Za-z0-9\-\+\(\)\,\/\?\;\.]+)*$
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\-\+\(\)\,\/\?\;\.]+)*$
The metaregistry provides mappings between the Bioregistry and other registries. There are
5 mappings to external registries for inchi
with
3 unique external prefixes.
Registry Name | Registry Metaprefix | External Prefix | Curate |
---|---|---|---|
BioContext | biocontext |
INCHI
|
|
FAIRSharing
|
fairsharing |
FAIRsharing.ddk9t9
|
|
Identifiers.org
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miriam |
inchi
|
|
Name-to-Thing
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n2t |
inchi
|
|
Wikidata Property
|
wikidata |
P234
|
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.
Code | Name | URL |
---|---|---|
CURATOR_REVIEW |
InChI through NIST | http://webbook.nist.gov/cgi/cbook.cgi?InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
ebi |
InChI through ChEBI | https://www.ebi.ac.uk/chebi/advancedSearchFT.do?searchString=InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
um |
InChI through RDF Open Molecules | http://rdf.openmolecules.net/?InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |