Fetches information from the ChEBI database.

fetch_chebi(relation = FALSE, stars = c(3), timeout = 60)

Arguments

relation

a logical value that indicates if ChEBI Ontology data will be returned instead the main compound data. This data can be used to check the relations of ChEBI ID's to each other. Default is FALSE.

stars

a numeric vector indicating the "star" level (confidence) for which entries should be retrieved (Possible levels are 1, 2 and 3). Default is c(3) retrieving only "3-star" entries, which are manually annotated by the ChEBI curator team.

timeout

a numeric value specifying the time in seconds until the download of an organism archive times out. The default is 60 seconds.

Value

A data frame that contains information about each molecule in the ChEBI database.

Examples

# \donttest{
chebi <- fetch_chebi()

head(chebi)
#>   id parent_id chebi_accession
#> 1  3        NA         CHEBI:3
#> 2  7        NA         CHEBI:7
#> 3  7        NA         CHEBI:7
#> 4  7        NA         CHEBI:7
#> 5  7        NA         CHEBI:7
#> 6  7        NA         CHEBI:7
#>                                                                                                                                      definition
#> 1                                                                                                                                              
#> 2 A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has <i>S</i> configuration at position 1 and <i>R</i> configuration at position 6.
#> 3 A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has <i>S</i> configuration at position 1 and <i>R</i> configuration at position 6.
#> 4 A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has <i>S</i> configuration at position 1 and <i>R</i> configuration at position 6.
#> 5 A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has <i>S</i> configuration at position 1 and <i>R</i> configuration at position 6.
#> 6 A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has <i>S</i> configuration at position 1 and <i>R</i> configuration at position 6.
#>   stars                         name type_name  type_accession accession_number
#> 1     2 ((R)-3-Hydroxybutanoyl)(n-2)  STANDARD    MANUAL_X_REF           C06147
#> 2     3             (S)-(+)-3-carene   SYNONYM             CAS         498-15-7
#> 3     3             (S)-(+)-3-carene   SYNONYM    MANUAL_X_REF        C00011044
#> 4     3             (S)-(+)-3-carene   SYNONYM REGISTRY_NUMBER          1902767
#> 5     3             (S)-(+)-3-carene   SYNONYM    MANUAL_X_REF         CPD-8756
#> 6     3             (S)-(+)-3-carene   SYNONYM    MANUAL_X_REF           C11382
#>     formula    mass charge monoisotopic_mass
#> 1 (C4H6O2)n  86.090      0          86.03678
#> 2    C10H16 136.238      0         136.12520
#> 3    C10H16 136.238      0         136.12520
#> 4    C10H16 136.238      0         136.12520
#> 5    C10H16 136.238      0         136.12520
#> 6    C10H16 136.238      0         136.12520
# }