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 this resource with 3 unique external prefixes.
Registry Name | Registry Metaprefix | External Prefix | Curate |
---|---|---|---|
BioContext | biocontext |
INCHI
|
|
FAIRSharing | fairsharing |
FAIRsharing.ddk9t9
|
|
Identifiers.org | miriam |
inchi
|
|
N2T | n2t |
inchi
|
|
Wikidata | 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
this resource. 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 |