Metabolomics Resources
General Metabolomics Sites and Databases
COLMAR Metabolomics Web Portal - Brüschweiler lab at Florida State University
CUBIC - Cologn University Bioinformatics Center's Research Group for Molecular Informatics
Fiehn Laboratory UC Davis, Genome Center
Frontiers in Bioscience - Journal
FTNMR - Free Induction Decay Archive at Pacific Lutheran University
The Golm Metabolome Database - Hosted at Max Planck Institute of Molecular Plant Physiology
The Human Metabolome Project a project of the Wishart Research Group
Human Metabolite Database a project of the Wishart Research Group
Human Metabolite Library a project of the Wishart Research Group
MMCD Madison Metabolomics Consortium Database
The Metabolomics Standards Initiative
METLIN Metabolite Database - a web-based, data management system
MeT-RO Metabolomics Rthamsted - 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
SMRS - The Standard Metabolic Reporting Structure
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
PathDB - a service of the Nationa Center for Genome Resoruces (NCGR) in Santa Fe. Includes a usefule demo
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
EUROCarbDB - European Carbohydrate Databases
Ligand Depot from PDB, hosted by Rutgers University, includes a tutorial
MSD - Macromolecular Structure Database from the European Bioinformatics Institute (EBI)
OCA ligand browser - also from EBI.
Spectral Database for Organic Compounds
ZINC - From UCSF
Lipid Specific
LDB - The Lipid Data Bank _ Ohio State University
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