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The metabolite structure data is linked to chemical databases, including ChemSpider, PubChem, and ChEBI. Links to metabolite databases, however, seem to be missing. MetaboLights consists of two components: a repository, that enables the metabolomic community to share experimental findings, data and protocols for any metabolomic study. (Fig. 1-2)
The METLIN-MRM transition repository for small-molecule quantitative tandem mass spectrometry was designed to facilitate data sharing across different instruments and laboratories. [13] The METLIN database is implemented in the cloud to enable users throughout the world.
METLIN is the largest repository of tandem mass spectrometry data of its kind. The dedicated academic journal Metabolomics first appeared in 2005, founded by its current editor-in-chief Roy Goodacre .
The HMDB facilitates human metabolomics research, including the identification and characterization of human metabolites using NMR spectroscopy, GC-MS spectrometry and LC/MS spectrometry. To aid in this discovery process, the HMDB contains three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data (Fig ...
biochemical data, clinical data HMDB "HMDB". 114,222 [6] HugeMDB Huge Molecular Database Elegant Mathematics LLC: Small molecules (most of entries have <100 atoms) major conformers with its 3D and easy search on them M good correlated with PubChem on data that is available on PubChem "HugeMDB". 102 million ICSC ILO International Chemical Safety ...
Dryad: repository of data underlying scientific publications in the basic and applied biosciences; Edinburgh Mouse Atlas; EPD Eukaryotic Promoter Database; FINDbase (the Frequency of INherited Disorders database) GigaDB: repository of large scale datasets underlying scientific publications in the biological and biomedical research
Metabolights is an open-access database for metabolomics research that collects all experimental data from leading journals' metabolic experiments. [42] Since its initial release in 2012, the MetaboLights repository has seen consistent year-on-year growth.
SMPDB is part of a suite of metabolomics databases that also includes Human Metabolome Database, DrugBank, and the Toxin and Toxin-Target Database (T3DB). While DrugBank includes information on 7000 drugs and >4200 non-redundant drug targets, enzymes , transporters, and carriers, HMDB houses over 40,000 small molecule metabolites found in the ...