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MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data

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TLDR
The MetaboLights repository, powered by the open source ISA framework, is cross-species and cross-technique and will cover metabolite structures and their reference spectra as well as their biological roles, locations, concentrations and raw data from metabolic experiments.
Abstract
MetaboLights (http://www.ebi.ac.uk/metabolights) is the first general-purpose, open-access repository for metabolomics studies, their raw experimental data and associated metadata, maintained by one of the major open-access data providers in molecular biology. Metabolomic profiling is an important tool for research into biological functioning and into the systemic perturbations caused by diseases, diet and the environment. The effectiveness of such methods depends on the availability of public open data across a broad range of experimental methods and conditions. The MetaboLights repository, powered by the open source ISA framework, is cross-species and cross-technique. It will cover metabolite structures and their reference spectra as well as their biological roles, locations, concentrations and raw data from metabolic experiments. Studies automatically receive a stable unique accession number that can be used as a publication reference (e.g. MTBLS1). At present, the repository includes 15 submitted studies, encompassing 93 protocols for 714 assays, and span over 8 different species including human, Caenorhabditis elegans, Mus musculus and Arabidopsis thaliana. Eight hundred twenty-seven of the metabolites identified in these studies have been mapped to ChEBI. These studies cover a variety of techniques, including NMR spectroscopy and mass spectrometry.

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Citations
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Journal ArticleDOI

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

Mingxun Wang, +135 more
- 01 Aug 2016 - 
TL;DR: In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations and data-driven social-networking should facilitate identification of spectra and foster collaborations.
Journal ArticleDOI

Emerging applications of metabolomics in drug discovery and precision medicine

TL;DR: This Review discusses some of the latest technological advances in metabolomics, focusing on the application of metabolomics towards uncovering the underlying causes of complex diseases, the growing role of metabolites in drug discovery and its potential effect on precision medicine.
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ChEBI in 2016: Improved services and an expanding collection of metabolites.

TL;DR: This update paper has substantially extended the collection of endogenous metabolites for several organisms including human, mouse, Escherichia coli and yeast and added two new tools, namely an analysis tool, BiNChE, and a query tool for the ontology, OntoQuery.
Journal ArticleDOI

Predicting Network Activity from High Throughput Metabolomics

TL;DR: A set of computational algorithms are presented which, by leveraging the collective power of metabolic pathways and networks, predict functional activity directly from spectral feature tables without a priori identification of metabolites.
References
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Journal ArticleDOI

XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification.

TL;DR: An LC/MS-based data analysis approach, XCMS, which incorporates novel nonlinear retention time alignment, matched filtration, peak detection, and peak matching, and is demonstrated using data sets from a previously reported enzyme knockout study and a large-scale study of plasma samples.
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Metabolomics - the link between genotypes and phenotypes

TL;DR: In this review, the differences among metabolite target analysis, metabolite profiling, and metabolic fingerprinting are clarified, and terms are defined.
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METLIN: a metabolite mass spectral database.

TL;DR: METLIN includes an annotated list of known metabolite structural information that is easily cross-correlated with its catalogue of high-resolution Fourier transform mass spectrometry (FTMS) spectra, tandem mass spectrumetry (MS/MS) Spectra, and LC/MS data.
Journal ArticleDOI

Metabolomics by numbers: acquiring and understanding global metabolite data.

TL;DR: In this postgenomic era, there is a specific need to assign function to orphan genes in order to validate potential targets for drug therapy and to discover new biomarkers of disease.
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