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Published October 3, 2022 | Version v1
Poster Restricted

Towards the creation of a metabolomics database of terrestrial and marine species in México

Creators

  • 1. Laboratorio MS2, CICESE, Ensenada
  • 2. ROR icon Center for Scientific Research and Higher Education at Ensenada
  • 3. ROR icon Consejo Nacional de Humanidades, Ciencias y Tecnologías
  • 4. CONACYT
  • 5. CICESE
  • 6. ROR icon University of Southern California
  • 7. Universidad Nacional Autonoma de Mexico
  • 8. Mexico's National Center for Genetic Resources
  • 9. UNAM
  • 10. Consorcio Universidad Nacional Autonoma de Mexico
  • 11. ROR icon Lawrence Berkeley National Laboratory
  • 12. ROR icon Universidad Autónoma de Baja California Sur
  • 13. Centro de Investigación y de Estudios Avanzados Unidad Irapuato
  • 14. ROR icon Center for Research and Advanced Studies of the National Polytechnic Institute
  • 15. Universidad Autónoma de Baja California - Campus Ensenada
  • 16. ROR icon Universidad Nacional Autónoma de México
  • 17. Tecnologico de Monterrey
  • 18. Universidad Autónoma de Baja California
  • 19. Universiteit Leiden Instituut Biologie Leiden
  • 20. Centro de Investigacion y Asistencia en Tecnología y Diseño del Estado de Jalisco
  • 21. ROR icon Centro de Investigación en Alimentación y Desarrollo
  • 22. CIAD
  • 23. Instituto de Ciencias del Mar y Limnología, Universidad Nacional Autónoma de México
  • 24. Centro de Investigación Científica de Yucatán

Description

Introduction: México harbors great biodiversity of species and small studies have
evidenced their capability of potential to synthesize metabolites with biomedical
and biotechnological applications. To expand the chemical knowledge of terrestrial
and marine species, we initiated a nationwide effort (METxico Project) to characterize
the metabolomes of select species and provide data access to the community by
creating a web platform. This work shows preliminary results of the metabolomes
and web platform (under a beta version).

Methodology: We collected 109 species (90 and 19 of terrestrial and marine origin,
respectively), and metabolites were extracted with a mixture of methanol:acetonitrile:
ethyl acetate, and data acquired by liquid chromatography-high resolution tandem
mass spectrometry. Data were analyzed by an array of chemoinformatic and webbased tools (GNPS, SIRIUS, Moldiscovery) to identify the metabolite’s chemical
classes and molecular structures. Results were incorporated into a web platform
(soon to be released) created by React (JavaScript library) and various plug-ins for
data visualization (e.g., plotly, leaflet).
Results:  A total of ~53k potential metabolites were detected (~24k with MS2
associated) to 1970 Da of which ~800 were identified at the molecular structure. Insilico advanced annotation expanded the identification to ~6,700 metabolites. 85
and 154 distinct chemical classes and subclasses were identified, respectively. Lipid
metabolites were more present across all species. In some cases, chemotaxonomy
analysis revealed a tight clustering of samples assigned to similar taxa. The web
platform, aided by visualization plug-ins, shows the results from a global perspective
to an individual point of view.
Conclusion: The METxico project will provide invaluable chemical knowledge of the
species inhabiting the country that we hope could permanently be available to the
community.

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