scientific-skills/database-lookup/references/metabolomics-workbench.md
https://www.metabolomicsworkbench.org/rest/
No API key required. Fully public.
/rest/{context}/{input_item}/{input_value}/{output_item}
Contexts: study, compound, refmet, gene, protein, moverz, exactmass
| URL Pattern | Description |
|---|---|
/rest/study/study_id/{ST_ID}/summary | Study summary metadata |
/rest/study/study_id/{ST_ID}/metabolites | Metabolites in a study |
/rest/study/study_id/{ST_ID}/analysis | Analysis details |
/rest/study/study_id/{ST_ID}/factors | Experimental factors |
/rest/study/study_id/{ST_ID}/data | Named metabolite data matrix |
/rest/study/study_id/{ST_ID}/species | Species information |
/rest/study/study_id/{ST_ID}/disease | Disease information |
/rest/study/study_title/{keyword}/summary | Search studies by title keyword |
/rest/study/study_type/{type}/summary | Search by study type |
/rest/study/analysis_id/{AN_ID}/summary | Summary by analysis ID |
Study IDs: ST###### (e.g., ST000001). Analysis IDs: AN######.
| URL Pattern | Description |
|---|---|
/rest/compound/name/{NAME}/summary | Search compound by name |
/rest/compound/pubchem_cid/{CID}/summary | Search by PubChem CID |
/rest/compound/hmdb_id/{HMDB_ID}/summary | Search by HMDB ID |
/rest/compound/kegg_id/{KEGG_ID}/summary | Search by KEGG ID |
/rest/compound/inchi_key/{KEY}/summary | Search by InChI key |
/rest/compound/regno/{REGNO}/classification | Compound classification |
/rest/compound/regno/{REGNO}/molfile | MOL file (structure) |
| URL Pattern | Description |
|---|---|
/rest/refmet/name/{NAME}/all | Full RefMet record |
/rest/refmet/match/{NAME}/name | Match name to standardized RefMet name |
| URL Pattern | Description |
|---|---|
/rest/gene/gene_symbol/{SYMBOL}/all | Gene info by symbol |
/rest/gene/gene_id/{ID}/all | Gene info by Entrez ID |
/rest/protein/uniprot_id/{ID}/all | Protein by UniProt ID |
/rest/moverz/mz/{MZ_VALUE}/tol/{TOLERANCE}/mode/{pos|neg}
/rest/exactmass/mass/{MASS_VALUE}/tol/{TOLERANCE}
# Study summary
https://www.metabolomicsworkbench.org/rest/study/study_id/ST000001/summary
# Metabolites in a study
https://www.metabolomicsworkbench.org/rest/study/study_id/ST000001/metabolites
# Search studies by title
https://www.metabolomicsworkbench.org/rest/study/study_title/diabetes/summary
# Compound by name
https://www.metabolomicsworkbench.org/rest/compound/name/glucose/summary
# Compound by PubChem CID
https://www.metabolomicsworkbench.org/rest/compound/pubchem_cid/5793/summary
# RefMet standardized name match
https://www.metabolomicsworkbench.org/rest/refmet/match/alpha-D-Glucose/name
# m/z search in positive mode
https://www.metabolomicsworkbench.org/rest/moverz/mz/175.0354/tol/0.005/mode/pos
# Exact mass search
https://www.metabolomicsworkbench.org/rest/exactmass/mass/174.0282/tol/0.005
Default is JSON. mwtab output returns MWTab text. molfile returns MOL/SDF text. No pagination — full results returned.
No published limits. Be reasonable. Add 0.5-1s delay for batch calls.