Metabolomics resources

General Metabolomics Sites and Databases

European Bioinformatics Institute

COLMAR Metabolomics Web Portal - Brüschweiler lab at Ohio State University

Fiehn Laboratory UC Davis, Genome Center

Frontiers in Bioscience - Journal

The Golm Metabolome Database

Human Metabolite DataBase

The Human Metabolome Project

MMCD Madison-Qingdao Metabolomics Consortium Database



The Metabolomics Society

The Metabolomics Standards Initiative

Metabolomics Workbench

METLIN Metabolite Database - a web-based data management system

MeT-RO Metabolomics Rothamsted - A major initiative to extablish the UK Center for Plant and Microbial Metabolomic Analysis

MDL NMR metabolomics database of Linkoping, Sweden

NIST Physical Reference Data National Institute of Standards and Technology - atomic masses, spectroscopy info, etc.

NIST Species Data by Chemical Formula

NMR Database of Lignin and Cell Wall Model Compounds. Sally A. Ralph, John Ralph and Larry L. Landucci. November 2004. Agricultural Research Service

NMR Shift DB - Molecular Informatics software devoped by CUBIC

PRiMe Platform for Riken Metabolomics

Riken Plant Science Center

Biochemical Pathways and Pathway Maps

AraCyc: Arabidopsis thaliana Biochemical Pathways, hosted by TAIR

ExPASy - Biochemical Pathways Map (html)

IUBMB-Nicholson Metabolic Maps, Minimaps & Animaps - International Union of Biochemistry & Molecular Biology


MetaCyc - a database of nonredundant, experimentally elucidated metabolic pathways

Visual Map of Metabolic Pathways from Sigma-Aldrich

Small Molecule

ChEBI - Chemical Entities of Biological Interest, hosted by EMBL-EBI

Chemical Abstracts Service


CSD The Cambridge Structural Database: The world repository of small molecule crystal structures

Ligand Expo (formerly: Ligand Depot) at PDB

MSD - Macromolecular Structure Database from the European Bioinformatics Institute (EBI)

OCA ligand browser - also from EBI

Organic Chemistry Info - General reference with useful links


Spectral Database for Organic Compounds


Lipid Specific

The Lipid Library

LIPID MAPS LIPID Metabolites And Pathways Strategy

Analytical Tools and Tool Development

Analytical Biosciences - Leiden/Amsterdam Center for Drug Research.

Prof. Douglas Kell - Bioanalytical Sciences Group - University of Manchester

Fiehn research laboratory - UC Davis, Genome Center

Metabolite Docker - Enzyme Function Initiative

Companies providing Metabolomics Services


Human Metabolome Technologies (HMT)