ChemSpider is a collection of compound data from across the web, which aggregates chemical structures and their associated information into a single searchable repository entry. These entries are supplemented with additional properties, related information and links back to original data sources.
- Prefix
chemspider- Alternative Prefixes
- ChemSpiderID Chemspider
- Keywords
- 3d structure chemical compound chemical structure image chemistry image/movie life science molecular entity molecules structure
- License
- http://www.rsc.org/Help/termsconditions.asp
- Links
- Homepage
- Publications
- 2010 ChemSpider: An Online Chemical Information Resource
Identifier Standards
- Pattern for Local Unique Identifiers
-
Local unique identifiers in ChemSpider should match this
regular expression:
^\d+$ - Example Local Unique Identifier
- 56586 Resolve
- Pattern for CURIES
-
Compact URIs (CURIEs) constructed from ChemSpider should match
this regular expression:
^chemspider:\d+$ - Example CURIE
- chemspider:56586
- Format String for RDF URIs
- http://rdf.chemspider.com/$1
- Example RDF URI
- http://rdf.chemspider.com/56586
Contacts
- Contact
-
Harry E. Pence
0000-0002-0412-9018
- Identifier Space Owner
-
Royal Society of Chemistry, Cambridge
Ontology
A summary of the relations in the Bioregistry schema can be found here.
- In Collection (1)
- Synapse.org external links
Mappings to External Registries
Mappings from records in Bioregistry to external registries comprises the metaregistry. This resource has 10 mappings to external registries with 7 unique external prefixes.
| Registry Name | Registry Metaprefix | External Prefix | Curate |
|---|---|---|---|
| BioContext | biocontext |
CHEMSPIDER
|
|
| CHEMINF | cheminf |
000405
|
|
EDAM
|
edam.data |
1173
|
|
FAIRsharing
|
fairsharing |
FAIRsharing.96f3gm
|
|
Integbio
|
integbio |
nbdc01863
|
|
Identifiers.org namespace
|
miriam |
chemspider
|
|
| N2T | n2t |
chemspider
|
|
| Prefix Commons | prefixcommons |
chemspider
|
|
re3data
|
re3data |
r3d100010205
|
|
Wikidata
|
wikidata.property |
P661
|
Providers
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 56586 is used to demonstrate the providers
available for ChemSpider. Some providers may use a different example, which is displayed in the table below.
A guide for curating additional providers can be found
here.
| Provider Name | Provider Code | URI |
|---|---|---|
| ChemSpider | chemspider |
http://www.chemspider.com/Chemical-Structure.56586.html |
| ChemSpider (RDF) | rdf |
http://rdf.chemspider.com/56586 |
| Bioregistry | bioregistry |
https://bioregistry.io/chemspider:56586 |
| Identifiers.org namespace | miriam |
https://identifiers.org/chemspider:56586 |
| Name-to-Thing | n2t |
https://n2t.net/chemspider:56586 |
Extra Providers
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 |
|---|---|---|
| Bio2RDF | bio2rdf |
http://bio2rdf.org/chemspider:56586 |