ACD Labs Logo
MENU

Samples & Databases for ACD/Labs Software and Solutions

The below files are provided for free use with our software. These files are from third-parties and are not tested or supported by ACD/Labs.

Spectrus DB
Human Metabolome Project Database
The Human Metabolome Database (HMDB) is an electronic database containing detailed information about small molecule metabolites found in the human body. The database contains over 7500 metabolite entries including both water-soluble and lipid soluble metabolites as well as metabolites that would be regarded as either abundant (> 1 µM) or relatively rare (< 1 nM).

This file contains ~500 structures from the HMDB where 1D 1H and 13C spectra are reported.Metabolomics, or metabolic profiling, is an emerging branch of genetic research. It uses small molecules called metabolites to detect changes in cell behavior and organ function. It also uses these chemicals to monitor and measure the larger-scale physiological changes that occur in response to subtle changes in the environment, thus helping to improve our monitoring of adverse drug reactions and better understand individual sensitivities to prescription drugs.

The Human Metabolome Project (HMP) brings together researchers from several Canadian universities, hospitals, research institutes and industry to assist in the development of comprehensive metabolite databases and infrastructure with the goal of creating new medical tools to quickly and inexpensively profile metabolites for disease diagnosis and management. www.hmdb.ca

The Human Metabolome database is distributed with permission from David Wishart, Department of Computing Science, University of Alberta.
Download
151 Mb
Human Metabolome Project Database
The Human Metabolome Database (HMDB) is an electronic database containing detailed information about small molecule metabolites found in the human body. The database contains over 7500 metabolite entries including both water-soluble and lipid soluble metabolites as well as metabolites that would be regarded as either abundant (> 1 µM) or relatively rare (< 1 nM).

This file contains >500 structures from the HMDB where 1D 1H and 2D 1H–13C HSQC spectra are reported.Metabolomics, or metabolic profiling, is an emerging branch of genetic research. It uses small molecules called metabolites to detect changes in cell behavior and organ function. It also uses these chemicals to monitor and measure the larger-scale physiological changes that occur in response to subtle changes in the environment, thus helping to improve our monitoring of adverse drug reactions and better understand individual sensitivities to prescription drugs.

The Human Metabolome Project (HMP) brings together researchers from several Canadian universities, hospitals, research institutes and industry to assist in the development of comprehensive metabolite databases and infrastructure with the goal of creating new medical tools to quickly and inexpensively profile metabolites for disease diagnosis and management. www.hmdb.ca

The Human Metabolome database is distributed with permission from David Wishart, Department of Computing Science, University of Alberta.
Download
733 Mb