Metabolomics Resources
General Metabolomics Sites and Databases
COLMAR Metabolomics Web Portal - Brüschweiler lab at Florida State University
Fiehn Laboratory UC Davis, Genome Center
Frontiers in Bioscience - Journal
MMCD Madison 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 Speicies 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
SUGABASE - A carbohydrate-NMR database from the Netherlands
Biochemical Pathways and Pathway Maps
AraCyc: Arabidopsis thaliana Biochemical Pathways, hosted by TAIR
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 (pdf)
ExPASy - Biochemical Pathways Map (html)
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) from 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
Lipid Specific
LIPID MAPS LIPID Metabolites And Pathways Strategy
Lipids Online - Educational Resources in Atherosclerosis
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
Companies providing Metabolomics Services
PPD - formerly SurroMed