正文
获取原文件references/metabolomics-workbench.md
Base URL
https://www.metabolomicsworkbench.org/rest/
Auth
No API key required. Fully public.
URL Structure
/rest/{context}/{input_item}/{input_value}/{output_item}
Contexts: study, compound, refmet, gene, protein, moverz (exactmass is an input item, not a context)
Key Endpoints
Study Context
| 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_title/{keyword}/summary |
Search studies by title keyword |
/rest/study/analysis_id/{AN_ID}/summary |
Summary by analysis ID |
Study IDs: ST###### (e.g., ST000001). Analysis IDs: AN######.
Compound Context
| URL Pattern | Description |
|---|---|
/rest/compound/formula/{FORMULA}/all |
Search compound by molecular formula |
/rest/compound/pubchem_cid/{CID}/all |
Search by PubChem CID |
/rest/compound/hmdb_id/{HMDB_ID}/all |
Search by HMDB ID |
/rest/compound/kegg_id/{KEGG_ID}/all |
Search by KEGG ID |
/rest/compound/inchi_key/{KEY}/all |
Search by InChI key |
/rest/compound/regno/{REGNO}/classification |
Compound classification |
/rest/compound/regno/{REGNO}/molfile |
MOL file (structure) |
RefMet (Standardized Nomenclature)
| URL Pattern | Description |
|---|---|
/rest/refmet/name/{NAME}/all |
Full RefMet record |
/rest/refmet/match/{NAME}/name |
Match name to standardized RefMet name |
Gene / Protein Context
| 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 |
Mass search
The moverz input encodes library, m/z, adduct and tolerance in Daltons:
/rest/moverz/MB/635.52/M+H/0.5
MB selects the Metabolomics Workbench library. Encode a plus sign as %2B
when a client treats it as a space. Specify the ion/adduct; a positive/negative
mode label alone is not sufficient. Exact mass for a lipid abbreviation is:
/rest/moverz/exactmass/PC(34:1)/M+H
Example Calls
# 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
# Compounds with a formula (not unique chemical identity)
https://www.metabolomicsworkbench.org/rest/compound/formula/C6H12O6/all
# Compound by PubChem CID
https://www.metabolomicsworkbench.org/rest/compound/pubchem_cid/5793/all
# 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/MB/635.52/M%2BH/0.5
# Exact mass search
https://www.metabolomicsworkbench.org/rest/moverz/exactmass/PC(34:1)/M%2BH
Response Format
Most record queries default to JSON. mwtab returns MWTab text and molfile returns MOL text. /moverz/exactmass/ returns a short HTML/text result: the live PC(34:1), M+H example returned 760.585077 and C42H83NO8P. No general pagination contract is exposed; keep queries narrow and inspect the actual content type and body. An HTTP 200 can contain an unsupported-input error. Resolve names through RefMet; compound/name is not a supported input item.
Rate Limits
No published limits. Be reasonable. Add 0.5-1s delay for batch calls.
Official query builder and contract: https://www.metabolomicsworkbench.org/tools/mw_rest.php