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_id Pubchem PUBCHEM_CID DSSTox_CID PubChem_Compound_CID CID

Keywords

chemical chemistry epidemiology metabolite structure virology

Links

Homepage

Contact

Missing Contact

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

• 2021 PubChem in 2021: new data content and improved web interfaces
• 2019 PubChem 2019 update: improved access to chemical data
• 2016 PubChem BioAssay: 2017 update
• 2013 PubChem BioAssay: 2014 update
• 2011 PubChem's BioAssay Database
• 2010 PubChem as a public resource for drug discovery
• 2009 PubChem: a public information system for analyzing bioactivities of small molecules
• 2006 Database resources of the National Center for Biotechnology Information

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

Part Of (bfo:0000050 )

pubchem

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.

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

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

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.

Additional providers curated in the Bioregistry are listed here. These are typically inherited from Identifiers.org or Prefix Commons, and need extra curation.