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Title: The ModelSEED Biochemistry Database for the integration of metabolic annotations and the reconstruction, comparison and analysis of metabolic models for plants, fungi and microbes

Journal Article · · Nucleic Acids Research
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  1. Argonne National Lab. (ANL), Lemont, IL (United States)
  2. Mayo Clinic, Rochester, MN (United States)
  3. Eidgenössische Technische Hochschule Zürich, (Switzerland). Inst. of Molecular Systems Biology
  4. Technical University of Denmark, Lyngby (Denmark). Novo Nordisk Foundation Center for Biosustainability
  5. Hope College, Holland, MI (United States)
  6. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  7. Brookhaven National Lab. (BNL), Upton, NY (United States)
  8. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  9. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

For over 10 years, ModelSEED has been a primary resource for the construction of draft genome-scale metabolic models based on annotated microbial or plant genomes. Now being released, the biochemistry database serves as the foundation of biochemical data underlying ModelSEED and KBase. The biochemistry database embodies several properties that, taken together, distinguish it from other published biochemistry resources by: (i) including compartmentalization, transport reactions, charged molecules and proton balancing on reactions; (ii) being extensible by the user community, with all data stored in GitHub; and (iii) design as a biochemical ‘Rosetta Stone’ to facilitate comparison and integration of annotations from many different tools and databases. The database was constructed by combining chemical data from many resources, applying standard transformations, identifying redundancies and computing thermodynamic properties. The ModelSEED biochemistry is continually tested using flux balance analysis to ensure the biochemical network is modeling-ready and capable of simulating diverse phenotypes. Ontologies can be designed to aid in comparing and reconciling metabolic reconstructions that differ in how they represent various metabolic pathways. ModelSEED now includes 33,978 compounds and 36,645 reactions, available as a set of extensible files on GitHub, and available to search at https://modelseed.org and KBase.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Biological and Environmental Research (BER); National Science Foundation (NSF); National Cancer Institute (NCI); National Institutes of Health (NIH); European Union (EU); Mayo Clinic
Grant/Contract Number:
AC05-00OR22725; AC02-06CH11357; AC02-05CH11231; AC52-07NA27344; GEPR-1444202; MCB-1716285; R01CA17924; AC02–05CH11231
OSTI ID:
1668123
Alternate ID(s):
OSTI ID: 1669770; OSTI ID: 1762244; OSTI ID: 1783779; OSTI ID: 1836207
Report Number(s):
LLNL-JRNL-827856
Journal Information:
Nucleic Acids Research, Vol. 49, Issue D1; ISSN 0305-1048
Publisher:
Oxford University PressCopyright Statement
Country of Publication:
United States
Language:
English

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Figures / Tables (10)