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_CID pubchem_id DSSTox_CID Pubchem CID PubChem_Compound_CID

Keywords

chemical chemistry epidemiology metabolite structure virology

Links

Homepage

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

Pattern for Local Unique Identifiers

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

Example Local Unique Identifier

100101   Resolve

Pattern for CURIES

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

Example CURIE

pubchem.compound:100101

Pattern for RDF URIs

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

Example RDF URI

http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID100101

Contact

Evan E Bolton   0000-0002-5959-6190

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

In Collection

Synapse.org external links

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.

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 compound. Some providers may use a different example, which is displayed in the table below. 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.