Determining conserved metabolic biomarkers from a million database queries.
BACKGROUND
Metabolite databases provide a unique window into metabolome research allowing the most commonly searched biomarkers to be catalogued. Omic scale metabolite profiling, or metabolomics, is finding increased utility in biomarker discovery largely driven by improvements in analytical technologies and the concurrent developments in bioinformatics. However, the successful translation of biomarkers into clinical or biologically relevant indicators is limited.


RESULTS
With the aim of improving the discovery of translatable metabolite biomarkers, we present search analytics for over one million METLIN metabolite database queries. The most common metabolites found in METLIN were cross-correlated against XCMS Online, the widely used cloud-based data processing and pathway analysis platform. Analysis of the METLIN and XCMS common metabolite data has two primary implications: these metabolites, might indicate a conserved metabolic response to stressors and, this data may be used to gauge the relative uniqueness of potential biomarkers.


METHODS
METLIN can be accessed by logging on to: https://metlin.scripps.edu


BACKGROUND
siuzdak@scripps.edu


BACKGROUND
Supplementary data are available at Bioinformatics online.
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Michael E
ME
Kurczy
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Julijana
J
Ivanisevic
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Caroline H
CH
Johnson
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Winnie
W
Uritboonthai
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Linh
L
Hoang
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Mingliang
M
Fang
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Matthew
M
Hicks
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Anthony
A
Aldebot
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Duane
D
Rinehart
Department of Physics, University of California San Diego, La Jolla, CA 92093, USA.
Lisa J
LJ
Mellander
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
Ralf
R
Tautenhahn
Department of Chemistry, Washington University in St. Louis, St. Louis, MO 63130, USA, Departments of Genetics and Medicine, Washington University School of Medicine, St. Louis, MO 63130, USA.
Gary J
GJ
Patti
Pfizer Worldwide Research and Development, San Diego, CA 92121, USA and.
Mary E
ME
Spilker
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA.
H Paul
HP
Benton
Scripps Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA, Departments of Chemistry, Molecular and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USA.
Gary
G
Siuzdak
D015415:Biomarkers / Q000378:metabolism; D016208:Databases, Factual; D006801:Humans; D013058:Mass Spectrometry; D055442:Metabolome; D055432:Metabolomics
D015415:Biomarkers