get_compound_info
Retrieve detailed chemical compound data from PubChem using the Compound ID, including molecular properties and bioassay information in multiple output formats.
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 core handler function for the 'get_compound_info' tool. Validates input using isValidCidArgs, fetches compound data from PubChem REST API by CID in specified format (default JSON), and returns the response as text content.
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:383-394 (schema)Tool definition in ListTools response, including name, description, and input schema for validation (cid required, format optional).
{ 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'], }, }, - src/index.ts:742-743 (registration)Switch case in CallToolRequest handler that routes 'get_compound_info' tool calls to the handleGetCompoundInfo method.
case 'get_compound_info': return await this.handleGetCompoundInfo(args); - src/index.ts:66-74 (helper)Type guard function validating input arguments for get_compound_info tool, matching the input schema.
args: any ): args is { cid: number | string; format?: string } => { return ( typeof args === 'object' && args !== null && (typeof args.cid === 'number' || typeof args.cid === 'string') && (args.format === undefined || ['json', 'sdf', 'xml', 'asnt', 'asnb'].includes(args.format)) ); };