is a Data Model.
InChIKey is a fixed-length hashed representation of the IUPAC International Chemical Identifier (InChI), used for indexing and linking chemical structures across resources.
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| ID | Name | URL | Category | Format | Description |
|---|---|---|---|---|---|
| inchikey.docs ⚠ | InChI/InChIKey Documentation | downloads | DocumentationProduct | http | InChI Trust documentation and support... |
| inchikey.inchi_software | InChI Software Repository | InChI | Product | http | Official IUPAC-InChI source code repo... |
| inchikey.web_demo | InChI Web Demo | InChI-Web-Demo | GraphicalInterface | http | Official browser-based InChI web demo... |
| ID | Name | URL | Category | Format | Relation | Description |
|---|---|---|---|---|---|---|
| unibiomap.links | UniBioMap Graph Links | unibiomap.links.csv (1.3 GB) | GraphProduct | csv | had primary source | Core UniBioMap graph edges file. |
| unibiomap.auxs | UniBioMap Graph Auxiliaries | unibiomap.auxs.tsv (563.9 MB) | GraphProduct | tsv | had primary source | Auxiliary UniBioMap graph annotations... |
| unibiomap.pred | UniBioMap Predicted Graph | unibiomap.pred.csv (2.3 GB) | GraphProduct | csv | had primary source | Predicted UniBioMap graph edges with ... |
| unibiomap.pred.full | UniBioMap Predicted Graph (Full) | unibiomap.pred.full.csv (5.9 GB) | GraphProduct | csv | had primary source | Full unfiltered UniBioMap predicted g... |
InChIKey is a compact, fixed-length hashed representation derived from InChI, the IUPAC International Chemical Identifier. It is used for indexing, web search, and cross-resource linking of chemical structures when a shorter identifier is more practical than the full InChI string.
The InChI Trust website remains the canonical documentation location, but it returned Cloudflare challenge responses during this curation pass. The public IUPAC-InChI GitHub repository and the official web demo provide accessible software and interactive generation surfaces for InChI and InChIKey values.
Created: February 18, 2026 | Last modified: June 02, 2026