The IUPAC International Chemical Identifier (InChI, see MIR:00000383) is an identifier for chemical substances, and is derived solely from a structural representation of that substance. Since these can be quite unwieldly, particularly for web use, the InChIKey was developed. These are of a fixed length (25 character) and were created as a condensed, more web friendly, digital representation of the InChI.
Local identifiers in InChIKey should match this
regular expression:
^[A-Z]{14}\-[A-Z]{10}(\-[A-Z])?$
Compact URIs (CURIEs) constructed from InChIKey should match
this regular expression:
^inchikey:[A-Z]{14}\-[A-Z]{10}(\-[A-Z])?$
A summary of the relations in the Bioregistry schema can be found here.
Mappings from records in Bioregistry to external registries comprises the metaregistry. This resource has 6 mappings to external registries with 3 unique external prefixes.
| Registry Name | Registry Metaprefix | External Prefix | Curate |
|---|---|---|---|
| BioContext | biocontext |
INCHIKEY
|
|
Identifiers.org
|
miriam |
inchikey
|
|
N2T
|
n2t |
inchikey
|
|
| TogoID | togoid |
InchiKey
|
|
|
Wikidata
|
wikidata |
P235
|
|
|
Wikidata (E)
|
wikidata.entity |
Q21445422
|
A provider turns a local unique identifiers from a resource into a URI. Many providers are also resolvable as URLs (i.e., they can be used in a web browser).
The local unique identifier RYYVLZVUVIJVGH-UHFFFAOYSA-N is used to demonstrate the providers
available for InChIKey. Some providers may use a different example, which is displayed in the table below.
A guide for curating additional providers can be found
here.
Additional providers curated in the Bioregistry are listed here. These are typically inherited from Identifiers.org or Prefix Commons, and need extra curation.
| Provider Name | Provider Code | URL |
|---|---|---|
| Scholia | scholia |
https://scholia.toolforge.org/inchikey/RYYVLZVUVIJVGH-UHFFFAOYSA-N |