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Cortexa research tool·structure·pdbe_graph
PDBe Get Compound Details
Get detailed chemical compound information from the PDBe Graph API by chemical component ID (3-letter code). Returns chemical formula, molecular weight, SMILES, InChI, InChIKey, systematic names, cross-references to DrugBank/PubChem/ClinicalTrials, and stereoisomer information. More comprehensive than compound name search. Example: 'ATP' returns adenosine-5'-triphosphate with formula C10H16N5O13P3, weight 507.181, DrugBank DB00171, PubChem 5957.
AvailableCortexa
Schema
JSON Schema the agent (or your API call) must match.
JSON · 12 lines · 405 chars
Examples (1)
Default PDBe Get Compound Details call
public-safeinput
JSON · 3 lines · 19 chars
Expected response keys: success
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_PDBe_get_compound_details
- Tool name
- PDBe_get_compound_details
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse