get_compound_info
Retrieve comprehensive details for a chemical compound using its PubChem CID in formats like JSON, SDF, or XML. Ideal for accessing molecular properties and bioassay data.
Instructions
Get detailed information for a specific compound by PubChem CID
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cid | Yes | PubChem Compound ID (CID) | |
| format | No | Output format (default: json) |
Implementation Reference
- src/index.ts:882-905 (handler)The handler function that implements the core logic: validates input with isValidCidArgs, fetches compound data from PubChem API using the provided CID and optional format, formats the response as JSON or raw, and handles errors.private async handleGetCompoundInfo(args: any) { if (!isValidCidArgs(args)) { throw new McpError(ErrorCode.InvalidParams, 'Invalid CID arguments'); } try { const format = args.format || 'json'; const response = await this.apiClient.get(`/compound/cid/${args.cid}/${format === 'json' ? 'JSON' : format}`); return { content: [ { type: 'text', text: format === 'json' ? JSON.stringify(response.data, null, 2) : String(response.data), }, ], }; } catch (error) { throw new McpError( ErrorCode.InternalError, `Failed to get compound info: ${error instanceof Error ? error.message : 'Unknown error'}` ); } }
- src/index.ts:386-393 (schema)Input schema defining the expected parameters: required 'cid' (number or string), optional 'format' enum for output format.inputSchema: { type: 'object', properties: { cid: { type: ['number', 'string'], description: 'PubChem Compound ID (CID)' }, format: { type: 'string', enum: ['json', 'sdf', 'xml', 'asnt', 'asnb'], description: 'Output format (default: json)' }, }, required: ['cid'], },
- src/index.ts:742-743 (registration)Switch case in the request handler that routes calls to 'get_compound_info' to the handleGetCompoundInfo method.case 'get_compound_info': return await this.handleGetCompoundInfo(args);
- src/index.ts:383-394 (registration)Tool registration in the listTools response, including name, description, and input schema.{ name: 'get_compound_info', description: 'Get detailed information for a specific compound by PubChem CID', inputSchema: { type: 'object', properties: { cid: { type: ['number', 'string'], description: 'PubChem Compound ID (CID)' }, format: { type: 'string', enum: ['json', 'sdf', 'xml', 'asnt', 'asnb'], description: 'Output format (default: json)' }, }, required: ['cid'], }, },