IUPAC International Chemical Identifier
GPTKB entity
Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
chemical identifier
|
| gptkbp:abbreviation |
gptkb:InChI
|
| gptkbp:developedBy |
gptkb:International_Union_of_Pure_and_Applied_Chemistry
|
| gptkbp:format |
textual identifier
|
| gptkbp:hasComponent |
charge layer
isotopic layer main layer stereochemistry layer |
| https://www.w3.org/2000/01/rdf-schema#label |
IUPAC International Chemical Identifier
|
| gptkbp:introducedIn |
2000
|
| gptkbp:language |
English
|
| gptkbp:license |
open source
|
| gptkbp:purpose |
facilitate the search for chemical substances
provide a standard way to encode molecular information |
| gptkbp:relatedTo |
SMILES
InChIKey |
| gptkbp:standardizedBy |
gptkb:IUPAC
|
| gptkbp:usedFor |
chemical databases
chemical informatics |
| gptkbp:website |
https://iupac.org/who-we-are/divisions/division-details/inchi/
|
| gptkbp:bfsParent |
gptkb:ZKHKQTHYZWTWGS-UHFFFAOYSA-N
|
| gptkbp:bfsLayer |
7
|