PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative. PubChem Compound archives chemical structures and records.

Prefix
pubchem.compound
Alternative Prefixes
Pubchem PUBCHEM_CID PubChem_Compound_CID DSSTox_CID CID pubchem_id
Keywords
chemical chemistry epidemiology metabolite structure virology
Links
Homepage
Contact
Evan E Bolton   0000-0002-5959-6190
Pattern for Local Unique Identifiers

Local identifiers in PubChem CID should match this regular expression:
^\d+$

Example Local Unique Identifier
100101   Resolve
Pattern for CURIES

Compact URIs (CURIEs) constructed from PubChem CID should match this regular expression:
^pubchem\.compound:\d+$

Example CURIE
pubchem.compound:100101
Publications
Ontology

A summary of the relations in the Bioregistry schema can be found here.

Part Of (bfo:0000050 )
pubchem
Metaregistry PubChem CID

The metaregistry provides mappings between the Bioregistry and other registries. There are 15 mappings to external registries for this resource with 12 unique external prefixes.

Registry Name Registry Metaprefix External Prefix Curate
BioContext biocontext PUBCHEM.COMPOUND
Biolink Biolink Model Registry logo biolink CID
Cellosaurus Cellosaurus Registry logo cellosaurus PubChem
CHEMINF cheminf 000140
EDAM EDAM Ontology logo edam 2639
FAIRSharing FAIRSharing logo fairsharing FAIRsharing.qt3w7z
GO Gene Ontology Registry logo go PubChem_Compound
Integbio Integbio logo integbio nbdc02626
Identifiers.org Identifiers.org logo miriam pubchem.compound
N2T Name-to-Thing logo n2t pubchem.compound
Pathguide Pathguide logo pathguide 361
Prefix Commons Prefix Commons logo prefixcommons pubchem.compound
re3data Registry of Research Data Repositories logo re3data r3d100010129
TogoID togoid PubchemCompound
Wikidata Wikidata Property logo wikidata P662
RDF Information

When using this resource in RDF, the following URI format should be used:

http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID$1

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 100101 is used to demonstrate the providers available for PubChem CID. A guide for curating additional providers can be found here.

Name Metaprefix URI
PubChem CID pubchem.compound https://pubchem.ncbi.nlm.nih.gov/compound/100101
PubChem CID (RDF) rdf http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID100101
Bioregistry bioregistry https://bioregistry.io/pubchem.compound:100101
Identifiers.org miriam https://identifiers.org/pubchem.compound:100101
Name-to-Thing n2t https://n2t.net/pubchem.compound:100101
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.

Code Name URL
bio2rdf Bio2RDF http://bio2rdf.org/pubchem.compound:100101
scholia Scholia https://scholia.toolforge.org/pubchem/100101