What problem does it solve?
It helps you find standardized metabolites, map metabolite measurements to real studies, and retrieve experimental and molecular details through the Metabolomics Workbench REST API instead of manually searching across sources.
Core Features & Use Cases
- Metabolite structure and identifier lookups: Retrieve compound records, cross-references, and structures (e.g., MOL/PNG) using registry numbers and common identifiers.
- Study discovery and experimental data retrieval: Search studies by metabolite, investigator, institute, or title, then pull summaries, factors, and complete datasets (including mwTab).
- RefMet nomenclature standardization: Standardize names and browse RefMet’s hierarchical classifications to ensure consistent metabolite matching.
- Mass-to-charge (m/z) searches: Identify candidate compounds by precursor m/z with chosen adducts and tolerances.
- Condition-based filtering: Use MetStat filters (assay type, polarity, chromatography, species, disease, etc.) to narrow to relevant study cohorts.
- Gene/protein context for metabolite metabolism: Retrieve gene and protein information (including sequences/annotations) to connect metabolites to biology.
Quick Start
Use the skill to read the metabolomics workbench REST API reference, then ask for an endpoint that matches your goal such as standardizing a metabolite name in RefMet, listing studies containing it, and downloading study data.
