Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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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

The Golm Metabolome Database

The Human Metabolome Project

Human Metabolite Database

Human Metabolite Library

MMCD Madison Metabolomics Consortium Database


The Metabolomics Society

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

Riken Plant Science Center

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


Chemical Abstracts Service


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

Dundee PRODRG Server

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


Lipid Specific

The Lipid Library

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


Phenomenome Discoveries

PPD - formerly SurroMed