“Download functions” is series functions that could be used to download online databases.

BIGG model database

BIGG modelis a knowledge base of genome-scale metabolic network reconstructions.

Download the BIGG model data

download_bigg_model(model_id = "iND750")

Download the BIGG universal metabolite database

download_bigg_universal_metabolite(path = ".", sleep = 1)

ChEBI database

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.

Download ChEBI compound database

FooDB database

FooDB is the world’s largest and most comprehensive resource on food constituents, chemistry and biology.

Download the FooDB compound database

download_foodb_compound(compound_id = "all", path = ".")

GNPS database

The GNPS GNPS is a web-based mass spectrometry ecosystem that aims to be an open-access knowledge base for community-wide organization and sharing of raw, processed, or annotated fragmentation mass spectrometry data (MS/MS). GNPS aids in identification and discovery throughout the entire life cycle of data; from initial data acquisition/analysis to post publication.

Download one GNPS compound database

download_gnps_spectral_library(gnps_library = "HMDB", path = ".")

KEGG database

KEGG is a database resource for understanding high-level functions and utilities of the biological system, such as the cell, the organism and the ecosystem, from molecular-level information, especially large-scale molecular datasets generated by genome sequencing and other high-throughput experimental technologies.

Download KEGG compound database

Download KEGG pathway database

download_kegg_pathway(path = ".", organism = "hsa")

Download KEGG reaction class database

Download KEGG drug database

download_kegg_drug(path = ".")

LipidBank

The official database of Japanese Conference on the Biochemistry of Lipids (JCBL). Link

Download the LipidBank lipid class database.

download_lipidbank_lipid_class(lipid_class = "Acylglycerol", path = ".")

LipidMaps

LIPID MAPS Lipidomics Gateway was created in 2003 via an NIH “Glue Grant” to provide access to lipid nomenclature, databases, tools, protocols, standards, tutorials, meetings, publications, and other resources and serving the international lipid research community.

Download lipidmaps database

MassBank

MassBank is a community effort and you are invited to contribute. Please refer to our contributor documentation and get in touch via github or email.

Download MassBnak compound database.

SMPDB

SMPDB is an interactive, visual database containing more than 30000 small molecule pathways found in humans only.

Download SMPDB pathway database.

Session information

sessionInfo()
#> R version 4.2.1 (2022-06-23)
#> Platform: x86_64-apple-darwin17.0 (64-bit)
#> Running under: macOS Big Sur ... 10.16
#> 
#> Matrix products: default
#> BLAS:   /Library/Frameworks/R.framework/Versions/4.2/Resources/lib/libRblas.0.dylib
#> LAPACK: /Library/Frameworks/R.framework/Versions/4.2/Resources/lib/libRlapack.dylib
#> 
#> locale:
#> [1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8
#> 
#> attached base packages:
#> [1] stats     graphics  grDevices utils     datasets  methods   base     
#> 
#> other attached packages:
#> [1] massdatabase_0.99.14
#> 
#> loaded via a namespace (and not attached):
#>   [1] readxl_1.4.0                circlize_0.4.15            
#>   [3] systemfonts_1.0.4           igraph_1.3.2               
#>   [5] plyr_1.8.7                  lazyeval_0.2.2             
#>   [7] BiocParallel_1.30.3         listenv_0.8.0              
#>   [9] ChemmineR_3.48.0            GenomeInfoDb_1.32.2        
#>  [11] ggplot2_3.3.6               Rdisop_1.56.0              
#>  [13] digest_0.6.29               foreach_1.5.2              
#>  [15] yulab.utils_0.0.5           htmltools_0.5.2            
#>  [17] viridis_0.6.2               massdataset_1.0.5          
#>  [19] fansi_1.0.3                 magrittr_2.0.3             
#>  [21] memoise_2.0.1               metpath_0.99.4             
#>  [23] cluster_2.1.3               doParallel_1.0.17          
#>  [25] tzdb_0.3.0                  openxlsx_4.2.5             
#>  [27] limma_3.52.2                graphlayouts_0.8.0         
#>  [29] readr_2.1.2                 ComplexHeatmap_2.12.0      
#>  [31] globals_0.15.1              Biostrings_2.64.0          
#>  [33] matrixStats_0.62.0          pkgdown_2.0.5              
#>  [35] prettyunits_1.1.1           colorspace_2.0-3           
#>  [37] ggrepel_0.9.1               rvest_1.0.2                
#>  [39] metid_1.2.15                textshaping_0.3.6          
#>  [41] xfun_0.31                   dplyr_1.0.9                
#>  [43] crayon_1.5.1                RCurl_1.98-1.7             
#>  [45] jsonlite_1.8.0              impute_1.70.0              
#>  [47] iterators_1.0.14            glue_1.6.2                 
#>  [49] polyclip_1.10-0             gtable_0.3.0               
#>  [51] zlibbioc_1.42.0             XVector_0.36.0             
#>  [53] GetoptLong_1.0.5            DelayedArray_0.22.0        
#>  [55] shape_1.4.6                 BiocGenerics_0.42.0        
#>  [57] scales_1.2.0                vsn_3.64.0                 
#>  [59] DBI_1.1.3                   Rcpp_1.0.8.3               
#>  [61] mzR_2.30.0                  progress_1.2.2             
#>  [63] viridisLite_0.4.0           clue_0.3-61                
#>  [65] gridGraphics_0.5-1          preprocessCore_1.58.0      
#>  [67] stats4_4.2.1                MsCoreUtils_1.8.0          
#>  [69] rsvg_2.3.1                  DT_0.23                    
#>  [71] htmlwidgets_1.5.4           httr_1.4.3                 
#>  [73] RColorBrewer_1.1-3          ellipsis_0.3.2             
#>  [75] farver_2.1.1                pkgconfig_2.0.3            
#>  [77] XML_3.99-0.10               sass_0.4.1                 
#>  [79] utf8_1.2.2                  ggplotify_0.1.0            
#>  [81] tidyselect_1.1.2            rlang_1.0.3                
#>  [83] munsell_0.5.0               cellranger_1.1.0           
#>  [85] tools_4.2.1                 cachem_1.0.6               
#>  [87] cli_3.3.0                   generics_0.1.3             
#>  [89] evaluate_0.15               stringr_1.4.0              
#>  [91] fastmap_1.1.0               mzID_1.34.0                
#>  [93] yaml_2.3.5                  ragg_1.2.2                 
#>  [95] knitr_1.39                  fs_1.5.2                   
#>  [97] tidygraph_1.2.1             zip_2.2.0                  
#>  [99] purrr_0.3.4                 ggraph_2.0.5               
#> [101] KEGGREST_1.36.2             ncdf4_1.19                 
#> [103] pbapply_1.5-0               future_1.26.1              
#> [105] xml2_1.3.3                  compiler_4.2.1             
#> [107] rstudioapi_0.13             plotly_4.10.0              
#> [109] curl_4.3.2                  png_0.1-7                  
#> [111] affyio_1.66.0               tweenr_1.0.2               
#> [113] tibble_3.1.7                bslib_0.3.1                
#> [115] stringi_1.7.6               desc_1.4.1                 
#> [117] MSnbase_2.22.0              lattice_0.20-45            
#> [119] ProtGenerics_1.28.0         Matrix_1.4-1               
#> [121] ggsci_2.9                   vctrs_0.4.1                
#> [123] stringdist_0.9.8            pillar_1.7.0               
#> [125] lifecycle_1.0.1             furrr_0.3.0                
#> [127] BiocManager_1.30.18         jquerylib_0.1.4            
#> [129] MALDIquant_1.21             GlobalOptions_0.1.2        
#> [131] data.table_1.14.2           bitops_1.0-7               
#> [133] GenomicRanges_1.48.0        R6_2.5.1                   
#> [135] pcaMethods_1.88.0           affy_1.74.0                
#> [137] gridExtra_2.3               IRanges_2.30.0             
#> [139] parallelly_1.32.0           codetools_0.2-18           
#> [141] MASS_7.3-57                 assertthat_0.2.1           
#> [143] SummarizedExperiment_1.26.1 rprojroot_2.0.3            
#> [145] rjson_0.2.21                S4Vectors_0.34.0           
#> [147] GenomeInfoDbData_1.2.8      hms_1.1.1                  
#> [149] parallel_4.2.1              grid_4.2.1                 
#> [151] tidyr_1.2.0                 rmarkdown_2.14             
#> [153] MatrixGenerics_1.8.1        masstools_0.99.13          
#> [155] ggforce_0.3.3               Biobase_2.56.0             
#> [157] base64enc_0.1-3