Databases

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This page lists open-access metabolomics-related databases. Databases are roughly categorized whether they are a repository for raw/processed metabolomics data, provide reference spectra (experimentally or computationally derived) or principally provide curation/ontology of structures/pathways.

Metabolomic repositories

MassIVE: a community resource developed by the NIH-funded Center for Computational Mass Spectrometry to promote the global, free exchange of mass spectrometry data.

MetaboLights: an open access repository for storage of metabolomics data. Users are encouraged to upload data from multiple species and techniques.

MetabolomeExpress: private and public repository of un-curated/curated metabolomics data; Interactive tools for data visualization, processing and statistical analysis.

Reference databases

Biological Magnetic Resonance Data Bank

Birmingham Metabolite Library

Glycan Mass Spectral Database

Golm Metabolome Database

Human Metabolome Database

Madison Metabolomics Consortium Database

MassBank

MassBank of North America

METLIN

MzCloud

NIST Standard Reference Database

Phenol-Explorer

Spectral Database for Organic Compounds

Currated structures/pathways

BiGG

BioModels

ChEBI

Chemspider

Human Metabolome Database

KEGG

LIPID MAPS Proteome Database

LIPID MAPS Structure Database

MetaCyc

OpenFoodTox

Phenol-Explorer

PhytoHub

PubChem

SwissLipids

WikiPathways