PubChem Compound
E569126
PubChem Compound is a public database record type in the PubChem system that provides detailed chemical information about individual small molecules, including their structures, properties, and biological activities.
Statements (61)
| Predicate | Object |
|---|---|
| instanceOf |
PubChem record type
ⓘ
chemical database record type ⓘ |
| accessibleVia |
PubChem FTP service
NERFINISHED
ⓘ
PubChem PUG-REST API NERFINISHED ⓘ PubChem web interface NERFINISHED ⓘ |
| describes |
chemical substance
ⓘ
small molecule ⓘ |
| distinguishedFrom |
PubChem BioAssay
NERFINISHED
ⓘ
PubChem Substance NERFINISHED ⓘ |
| hasAbbreviation | CID record ⓘ |
| hasDataSource |
computed property algorithms
ⓘ
experimental data submitters ⓘ |
| hasField |
2D structure
ⓘ
3D structure ⓘ IUPAC name ⓘ InChI ⓘ InChIKey ⓘ SMILES ⓘ TPSA ⓘ XLogP ⓘ bioassay results ⓘ canonical SMILES ⓘ charge ⓘ external database identifiers ⓘ hydrogen bond acceptors ⓘ hydrogen bond donors ⓘ isomeric SMILES ⓘ isotope information ⓘ links to PubChem BioAssay ⓘ links to PubChem Substance ⓘ links to PubMed ⓘ molecular formula ⓘ molecular weight ⓘ pharmacology information ⓘ rotatable bond count ⓘ safety and hazard data ⓘ stereochemistry ⓘ synonyms ⓘ toxicology information ⓘ |
| hasGranularity | individual molecule level ⓘ |
| hasIdentifier | CID ⓘ |
| hasLicense | open access ⓘ |
| language | English ⓘ |
| maintainedBy |
NCBI
NERFINISHED
ⓘ
National Center for Biotechnology Information NERFINISHED ⓘ |
| operatedBy |
National Institutes of Health
NERFINISHED
ⓘ
U.S. National Library of Medicine NERFINISHED ⓘ |
| partOf | PubChem NERFINISHED ⓘ |
| provides |
biological activity information
ⓘ
chemical structure information ⓘ computed properties ⓘ experimental properties ⓘ literature links ⓘ patent links ⓘ physicochemical properties ⓘ safety information ⓘ substance cross-references ⓘ |
| usedFor |
bioactivity analysis
ⓘ
chemical informatics research ⓘ drug discovery ⓘ toxicology studies ⓘ |
Referenced by (1)
Full triples — surface form annotated when it differs from this entity's canonical label.