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PubChem

PubChem Compounds API

Operations on compound records

Documentation Provider Profile APIs.io OpenAPI GitHub

PubChem Compounds API is one of 7 APIs that PubChem publishes on the APIs.io network, described by a machine-readable OpenAPI specification.

Tagged areas include Compounds. The published artifact set on APIs.io includes an OpenAPI specification and API documentation.

This API exposes 6 operations across 6 paths, and defines 5 schemas. It is described by OpenAPI 3.2.0, at version 1.0.0.

Requests are made against a single base URL, https://pubchem.ncbi.nlm.nih.gov/rest/pug.

6 operations 6 paths 5 schemas 6 GET

Metadata

The identity and technical contract details declared by the specification.

Specification
OpenAPI 3.2.0
API Version
1.0.0
Base URL
https://pubchem.ncbi.nlm.nih.gov/rest/pug
Contact
pubchem-help@ncbi.nlm.nih.gov
License
Public Domain
Resource Areas
1

Paths & Operations 6

Across 6 paths, the API surfaces 6 operations — 6 GET. Each is listed below with its method, path, parameters, and response codes.

Compounds 6

Operations on compound records

GET
/compound/cid/{cids}/{format}
Get compound records by CID
5 params → 200400404503
GET
/compound/name/{name}/{format}
Get compound records by name
6 params → 200400404503
GET
/compound/smiles/{smiles}/{format}
Get compound records by SMILES
5 params → 200400404503
GET
/compound/inchikey/{inchikey}/{format}
Get compound records by InChI Key
5 params → 200400404503
GET
/compound/cid/{cids}/property/{properties}/{format}
Get compound properties
4 params → 200400404503
GET
/compound/cid/{cids}/synonyms/{format}
Get compound synonyms
3 params → 200400404503

Schemas 5

The contract defines 5 schemas that model the data the API accepts and returns. The most detailed are CompoundRecord (5 properties), Fault (1 property), CompoundRecords (1 property), InformationList (1 property). Each schema is shown below with its type and property counts.

PropertyTable
object
Table of compound properties
1 property
CompoundRecord
object
A single compound record
5 properties
InformationList
object
List of information records
1 property
CompoundRecords
object
Collection of compound records
1 property
Fault
object
Error response
1 property

Specification

The full machine-readable OpenAPI contract behind this narrative.

Source

pubchem-compounds-api-openapi.yml Raw ↑

Other APIs PubChem publishes across the network.

PubChem PUG View API
AE Profile APIs.io
PubChem PUG SOAP API
AE Profile APIs.io
PubChem Structure Image Service
AE Profile APIs.io
PubChem Identifier Exchange Service
AE Profile APIs.io
PubChem Structure Search API
AE Profile APIs.io
PubChem Utilities API
AE Profile APIs.io
#Compounds
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API Details
ID
pubchem:pubchem-compounds-api
Base URL
https://pubchem.ncbi.nlm.nih.gov/rest/pug
Docs
https://pubchem.ncbi.nlm.nih.gov/docs/pug-rest
Provider
PubChem
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