PMhub 1.0: a comprehensive plant metabolome database

Abstract

The Plant Metabolome Hub (PMhub), a v ailable at https://pmhub.org.cn , is a valuable resource designed to provide scientists with comprehensive information on plant metabolites. It offers e xtensiv e details about their reference spectra, genetic foundations, chemical reactions, metabolic pathw a y s and biological functions. The PMhub contains chemical data for 188 837 plant metabolites gathered from various sources, with 1 467 041 standard / in-silico high-resolution tandem mass-spectrometry (HRMS / MS) spectra corresponding to these metabolites. B e y ond its e xtensiv e literature-deriv ed data, PMhub also boasts a sizable collection of experiment al met abolites; it cont ains 144 366 detected features in 10 typical plant species, with 16 423 successfully annotated by using standard / in-silico HRMS / MS data, this collection is further supplemented with thousands of features gathered from reference metabolites. For each metabolite, the PMhub enables the reconstructed of a simulated network based on str uct ural similarities and existing metabolic pathways. Unlike previous plant-specific metabolome databases, PMhub not only contains a vast amount of metabolic data but also assembles the corresponding genomic and / or transcriptomic information, incorporating multiple methods for the comprehensive genetic analysis of metabolites. To validate the practicality, we verified a synthetic pathw a y f or N - p -coumaro yltyramine b y in vitro enzymatic activity experiments. In summary, the robust functionality provided by the PMhub will make it an indispensable tool for studying plant metabolomics.