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
MMCD Madison-Qingdao Metabolomics Consortium Database
The Metabolomics Standards Initiative
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
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
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
ZINC - From UCSF
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