Registry PubChem CID

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_CID Pubchem PubChem_Compound_CID DSSTox_CID CID

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
BioContext	`biocontext`	`PUBCHEM.COMPOUND`
Biolink	`biolink`	`CID`
Cellosaurus	`cellosaurus`	`PubChem`
CHEMINF	`cheminf`	`000140`
EDAM	`edam`	`2639`
FAIRSharing	`fairsharing`	`FAIRsharing.qt3w7z`
GO	`go`	`PubChem_Compound`
Integbio	`integbio`	`nbdc02626`
Identifiers.org	`miriam`	`pubchem.compound`
N2T	`n2t`	`pubchem.compound`
Pathguide	`pathguide`	`361`
Prefix Commons	`prefixcommons`	`pubchem.compound`
re3data	`re3data`	`r3d100010129`
TogoID	`togoid`	`PubchemCompound`
Wikidata	`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

Suggest

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

Normalize prefixes. This can be any capitalization or punctuation variant of the synonyms listed below.

>>> import bioregistry as br
>>> br.normalize_prefix("pubchem_id")
'pubchem.compound'

Get all synonyms:

>>> import bioregistry as br
>>> br.get_synonyms("pubchem.compound")
{'pubchem_id', 'PUBCHEM_CID', 'Pubchem', 'PubChem_Compound_CID', 'DSSTox_CID', 'CID'}

Get the homepage:

>>> import bioregistry as br
>>> br.get_homepage("pubchem.compound")
'https://pubchem.ncbi.nlm.nih.gov/'

Get the contact's name:

>>> import bioregistry as br
>>> br.get_contact_name("pubchem.compound")
'Evan E Bolton'

Get the contact's email:

>>> import bioregistry as br
>>> br.get_contact_email("pubchem.compound")
'bolton@ncbi.nlm.nih.gov'

Get the contact's ORCiD identifier:

>>> import bioregistry as br
>>> br.get_contact_orcid("pubchem.compound")
'0000-0002-5959-6190'