Data collection: InChIKey

chemical structure

General information

Recommended name InChIKey Collection has restriction(s) logo
Alternative name(s)
  • hashed InChI
Description 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.
Identifier pattern^[A-Z]{14}\-[A-Z]{10}(\-[A-Z])?
Registry identifierMIR:00000387

Identification schemes

Namespace inchikey
URI http://identifiers.org/inchikey/
Alternative URI schemes  

Physical locations (resources)

Resource
MIR:00100505
Description InChiKey resolver at NCI
Access URLs HTML   (using the example identifier: RYYVLZVUVIJVGH-UHFFFAOYSA-N)
Institution National Cancer Institute, Rockville, Maryland, USA
Website http://cactus.nci.nih.gov/chemical/structure
Resource
MIR:00100501
Description InChIKey through ChemSpider
Access URLs HTML   (using the example identifier: RYYVLZVUVIJVGH-UHFFFAOYSA-N)
Institution Royal Society of Chemistry, Cambridge, UK
Website http://www.chemspider.com/

References