PubChem

Find PubChem compound IDs (CIDs) from a compound name or synonym.

Find the CID of a compound from a SMILES string.

Find the CID of a compound from an InChI string.

Find the CID of a compound from an SDF or MOL file text.

Find the CID of a compound from its InChIKey.

Find the CID of a compound from a registry number such as a CAS number.

Find compounds with a molecular formula.

Suggest PubChem names that start with a text fragment.

Get computed properties such as formula, weight, SMILES and InChIKey for one or more compounds.

List every name PubChem has for a compound.

Get the title and source-attributed text descriptions of a compound.

List the registry identifiers PubChem holds for a compound, such as CAS, UNII and ChEBI.

Get cross-references from a compound to other databases, such as PubMed, patents and genes.

List compounds related to a compound by parent, stereo, isotope, connectivity or tautomer.

Find compounds that carry a given external cross-reference, such as a registry number or PubMed ID.

Find compounds by molecular weight, exact mass or monoisotopic mass, as an exact value or a range.

Get the full structure record of one or more compounds: atoms, bonds, coordinates and properties.

List the substance IDs (SIDs) that depositors submitted for a compound.

Summarise the bioassay results recorded for a compound, one row per assay.

List the 3D conformer IDs PubChem has for a compound.

Get the date PubChem first created each compound record.

Run a structure through PubChem’s standardization and return the standardized record.

Find compounds whose 2D structure is similar to a query structure.

Find compounds that contain a query structure or SMARTS pattern.

Find compounds that are contained in a query structure.

Find compounds whose 3D shape and features are similar to a query structure.

Find compounds that are identical to a query structure under a chosen definition of identity.

Read a page of CIDs, SIDs or AIDs from a ListKey returned by an earlier search.

Find PubChem substance IDs (SIDs) from a substance name or synonym.

Find the substance IDs (SIDs) a source deposited under its own identifier.

List every substance ID (SID) a source has deposited.

Find substances that carry a given external cross-reference, such as a registry number or PubMed ID.

Get the full depositor record for one or more substances.

List the names a depositor gave one or more substances.

Get the compound IDs (CIDs) that one or more substances were standardized into.

List the bioassays (AIDs) that tested one or more substances.

Get a table of every bioassay result for one or more substances.

Get the classification hierarchies PubChem places a substance in.

Get cross-references from one or more substances to other databases, such as registry numbers, PubMed and patents.

Get the deposition, modification and hold dates of one or more substances.

List the bioassays (AIDs) that tested a compound.

Get a short summary of one or more bioassays: name, source, target and counts.

Get the full description of a bioassay: protocol, readout, targets and result columns.

List the protein and gene targets of one or more bioassays.

List the compounds (CIDs) or substances (SIDs) tested in a bioassay, filtered by outcome.

Get the result data of a bioassay, optionally for chosen substances only.

Get the dose-response curves of chosen substances in a bioassay.

Find the bioassays (AIDs) that tested a protein or gene target.

Get a table of every substance result in a bioassay, one row per substance.

Get the classification hierarchies PubChem places a bioassay in.

Get the deposition, modification and hold dates of one or more bioassays.

List the bioassays (AIDs) of one type, such as dose-response or confirmatory assays.

List the bioassays (AIDs) deposited by one source.

Find the bioassays (AIDs) that report a given activity column, such as EC50 or IC50.

Get the summary of a gene: symbol, name, organism, description and synonyms.

List the bioassays (AIDs) that tested a gene as a target.

List the pathways that include a gene.

List the external database identifiers PubChem holds for a gene.

Get the summary of a protein: accession, name, organism and synonyms.

List the bioassays (AIDs) that tested a protein as a target.

List the pathways that include a protein.

List the external database identifiers PubChem holds for a protein.

Get the summary of a pathway: source, name, organism and description.

List the compounds, genes or proteins that belong to a pathway.

Get the summary of an organism: scientific name, common name, rank, lineage and synonyms.

List the bioassays (AIDs) that involve an organism.

List the external database identifiers PubChem holds for an organism.

Get the summary of a cell line: accession, name, sex, category, source tissue and organism.

List the bioassays (AIDs) that used a cell line.

List the external database identifiers PubChem holds for a cell line.

List every source that has deposited substances or bioassays into PubChem.

Get the table of depositing sources with their counts, category, organization and contact details.

Get one computed 3D conformer of a compound, with atom coordinates.

List every PUG View annotation heading with the record type it applies to.

List the sources that provide annotations under one PUG View heading.

List the PUG View headings that one source provides annotations for.

List the PubChem records classified under one node of a classification hierarchy.

Get the periodic table of the elements with PubChem’s properties for each element.

List the external identifier types PubChem can look up in one domain.

List the annotation headings that a compound has data for.

Get the annotations PubChem holds for a compound, such as safety, toxicity, pharmacology and physical properties, with s…

Get PubMed search links for the literature about a compound, grouped by subheading.

List the protein structures from the PDB and MMDB that contain a compound.

Get the PubChem record of a patent: abstract, dates, inventors, assignee and linked chemicals, genes and proteins.

Get the annotations PubChem holds for a substance, gene, protein, pathway, taxonomy, cell line, bioassay or element.

List the annotation headings that a substance has data for.

Get every record’s annotation values for one heading, with the source of each.

List the sources that deposited data for a compound, grouped by category.

List the external web pages that link out from a compound, substance or bioassay record.

Get a QR code, as SVG text, that links to a compound’s PubChem page.

Get the image of a biologic, such as a peptide or protein sequence, as SVG text.

Get the RDF triples PubChem holds for one resource, such as a compound, substance, bioassay or gene.

Query PubChem RDF with a graph name and optional filters, for example to find compounds by synonym.

Get literature co-occurrence scores between a chemical, gene or disease and other entities.

Look up a literature reference in PubChem RDF by PubMed ID or DOI.

Search PubChem Compound, Substance or BioAssay with an Entrez query and get the matching IDs.

Get the Entrez document summaries for PubChem Compound, Substance or BioAssay IDs.

Find the records in another Entrez database that are linked to PubChem Compound, Substance or BioAssay IDs.

Get the searchable fields, links and record count of a PubChem Entrez database.