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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.

View JSON schemaExpandCollapse
JSON · 12 lines · 405 chars

Examples (1)

Default PDBe Get Compound Details call

Public-safe example · rate-limited

JSON input · 3 lines · 22 chars
Expected response keys: success

Identifiers

Catalog ID
tu_PDBe_get_compound_details
Tool name
PDBe_get_compound_details
Added
2026-04-30 22:47Z
Tags
tooluniverse
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