ArticleDatabase : the journal of biological databases and curation2014
'Isotopo' a database application for facile analysis and management of mass isotopomer data.
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16 citing papers in PubMed.
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- Conversion of Hyperpolarized [1-Cancers · 2022Article
- Tracking the Reversed Oxidative Tricarboxylic Acid Cycle in Bacteria.Bio-protocol · 2022Article
- Kendrick Mass Defect Variation to Decipher Isotopic Labeling in Brain Metastases Studied by Mass Spectrometry Imaging.Analytical chemistry · 2021Article
- High CONature · 2021Article
- Practicing precision medicine with intelligently integrative clinical and multi-omics data analysis.Human genomics · 2020Article
- Human gene and disease associations for clinical-genomics and precision medicine research.Clinical and translational medicine · 2020Article
- Diverse Roads Taken byCells · 2019Article
- Tracking Lipid Transfer by Fatty Acid Isotopolog Profiling from Host Plants to Arbuscular Mycorrhiza Fungi.Bio-protocol · 2018Article
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- Developing sustainable software solutions for bioinformatics by the " Butterfly" paradigm.F1000Research · 2014Article
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9 authors.
Zeeshan AhmedDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany Department of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meye
Saman ZeeshanDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany Department of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meye
Claudia HuberDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany.
Michael HenselDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany.
Dietmar SchomburgDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany.
Richard MünchDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany.
Eva EylertDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany.
Wolfgang EisenreichDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany.
Thomas DandekarDepartment of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meyerhofstr. 1, 69117 Heidelberg, Germany Department of Bioinformatics, Biocenter, University of Würzburg, Am Hubland, 97074 Wuerzburg, Germany, Department of Neurobiology and Genetics, Biocenter, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany, Institute of Molecular and Translational Therapeutic Strategies, OE 8886, Hannover Medical School, Carl-Neuberg-Str. 1, D-30625 Hanover, Germany, Lehrstuhl für Biochemie, Center of Isotopologue Profiling, Lichtenbergstraße 4, Technische Universität München, D-85747 Garching, Germany, Division of Microbiology, Barbarastraße 11, Gebäude 36, University of Osnabrück, 49076 Osnabrück, Germany, Department of Bioinformatics and Biochemistry, Langer Kamp 19B, Technical University Braunschweig, D-38106 Braunschweig, Germany, Institute for Microbiology, Biozentrum, 2. Obergeschoss Spielmannstraße 7, Technical University Braunschweig, 38106 Braunschweig, Germany and Computational biology and structures program, European Molecular Biology Laboratory, Meye
Funding
No grant is acknowledged in the PubMed record.
Abstract
The composition of stable-isotope labelled isotopologues/isotopomers in metabolic products can be measured by mass spectrometry and supports the analysis of pathways and fluxes. As a prerequisite, the original mass spectra have to be processed, managed and stored to rapidly calculate, analyse and compare isotopomer enrichments to study, for instance, bacterial metabolism in infection. For such applications, we provide here the database application 'Isotopo'. This software package includes (i) a database to store and process isotopomer data, (ii) a parser to upload and translate different data formats for such data and (iii) an improved application to process and convert signal intensities from mass spectra of (13)C-labelled metabolites such as tertbutyldimethylsilyl-derivatives of amino acids. Relative mass intensities and isotopomer distributions are calculated applying a partial least square method with iterative refinement for high precision data. The data output includes formats such as graphs for overall enrichments in amino acids. The package is user-friendly for easy and robust data management of multiple experiments. AVAILABILITY: The 'Isotopo' software is available at the following web link (section Download): http://spp1316.uni-wuerzburg.de/bioinformatics/isotopo/. The package contains three additional files: software executable setup (installer), one data set file (discussed in this article) and one excel file (which can be used to convert data from excel to '.iso' format). The 'Isotopo' software is compatible only with the Microsoft Windows operating system. DATABASE URL: http://spp1316.uni-wuerzburg.de/bioinformatics/isotopo/.
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Database Management SystemsDatabases, FactualMass SpectrometrySoftwareBacteriaComputational BiologyInternetIsotope LabelingMetabolomeUser-Computer Interface
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