Request CHEBI compound
request_chebi_compound(
url = "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=",
compound_id = "CHEBI:18358"
)url https://www.ebi.ac.uk/chebi/searchId.do?chebiId=
compound_id, for example, CHEBI:18358
Compound information (list)
request_chebi_compound(compound_id = "CHEBI:18358")
#> $main
#> # A tibble: 1 × 5
#> `ChEBI Name` `ChEBI ID` Definition Stars `Secondary ChE…`
#> <chr> <chr> <chr> <chr> <chr>
#> 1 methoxsalen CHEBI:18358 A member of the class of psor… This… CHEBI:40342, CH…
#>
#> $base_info
#> # A tibble: 1 × 7
#> Formula `Net Charge` `Average Mass` `Monoisotopic Mass` InChI InChIKey SMILES
#> <chr> <chr> <chr> <chr> <chr> <chr> <chr>
#> 1 C12H8O4 0 216.18950 216.04226 InChI… QXKHYNV… COc1c…
#>
#> $source
#> # A tibble: 1 × 2
#> `Metabolite of Species` Details
#> <chr> <chr>
#> 1 Ammi majus(NCBI:txid48026) See:PubMed
#>
#> $roles_classification
#> # A tibble: 1 × 2
#> `Biological Role(s):` `Application(s…`
#> <chr> <chr>
#> 1 plant metabolite Any eukaryotic metabolite produced during a… dermatologic dr…
#>
#> $iupac_name
#> # A tibble: 1 × 1
#> `IUPAC Name`
#> <chr>
#> 1 9-methoxy-7H-furo[3,2-g]chromen-7-one
#>
#> $synonyms
#> # A tibble: 16 × 2
#> Synonyms Sources
#> <chr> <chr>
#> 1 6-hydroxy-7-methoxy-5-benzofuranacrylic acid δ-lactone NIST Chemistry WebBook
#> 2 8-methoxy-2',3',6,7-furocoumarin ChemIDplus
#> 3 8-methoxy-4',5':6,7-furocoumarin NIST Chemistry WebBook
#> 4 8-methoxy-[furano-3'.2':6.7-coumarin] ChemIDplus
#> 5 8-Methoxyfuranocoumarin KEGG COMPOUND
#> 6 8-methoxypsoralen ChemIDplus
#> 7 8-Methoxypsoralen KEGG COMPOUND
#> 8 8-MOP ChemIDplus
#> 9 8-MP NIST Chemistry WebBook
#> 10 9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one NIST Chemistry WebBook
#> 11 Methoxsalen KEGG COMPOUND
#> 12 METHOXSALEN PDBeChem
#> 13 O-methylxanthotoxol ChEBI
#> 14 O-Methylxanthotoxol KEGG COMPOUND
#> 15 Xanthotoxin KEGG COMPOUND
#> 16 xanthotoxin UniProt
#>
#> $manual_xrefs
#> # A tibble: 10 × 2
#> `Manual Xrefs` Databases
#> <chr> <chr>
#> 1 30 DrugCentral
#> 2 8MO PDBeChem
#> 3 C00000576 KNApSAcK
#> 4 C01864 KEGG COMPOUND
#> 5 D00139 KEGG DRUG
#> 6 DB00553 DrugBank
#> 7 HMDB0014693 HMDB
#> 8 LSM-3410 LINCS
#> 9 Methoxsalen Wikipedia
#> 10 US2889337 Patent
#>
#> $registry_numbers
#> # A tibble: 4 × 3
#> `Registry Numbers` Types Sources
#> <chr> <chr> <chr>
#> 1 196453 Beilstein Registry Number Beilstein
#> 2 196453 Reaxys Registry Number Reaxys
#> 3 298-81-7 CAS Registry Number ChemIDplus
#> 4 298-81-7 CAS Registry Number NIST Chemistry WebBook
#>
request_chebi_compound(compound_id = "CHEBI:18377")
#> $main
#> # A tibble: 1 × 5
#> `ChEBI Name` `ChEBI ID` `ChEBI ASCII Name` Stars `Secondary ChE…`
#> <chr> <chr> <chr> <chr> <chr>
#> 1 N-formylkynurenine CHEBI:18377 N-formylkynurenine This entit… CHEBI:5156, CHE…
#>
#> $base_info
#> # A tibble: 1 × 7
#> Formula `Net Charge` `Average Mass` `Monoisotopic M…` InChI InChIKey SMILES
#> <chr> <chr> <chr> <chr> <chr> <chr> <chr>
#> 1 C11H12N2O4 0 236.22406 236.07971 InCh… BYHJHXP… [H]C(…
#>
#> $source
#> NULL
#>
#> $roles_classification
#> # A tibble: 1 × 1
#> `Chemical Role(s):`
#> <chr>
#> 1 Bronsted base A molecular entity capable of accepting a hydron from a donor (…
#>
#> $iupac_name
#> # A tibble: 1 × 1
#> `IUPAC Name`
#> <chr>
#> 1 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
#>
#> $synonyms
#> # A tibble: 3 × 2
#> Synonyms Sources
#> <chr> <chr>
#> 1 3-(2-formamidobenzoyl)alanine ChEBI
#> 2 Formylkynurenine KEGG COMPOUND
#> 3 N-Formylkynurenine KEGG COMPOUND
#>
#> $manual_xrefs
#> NULL
#>
#> $registry_numbers
#> NULL
#>
request_chebi_compound(compound_id = "CHEBI:18399")
#> $main
#> # A tibble: 1 × 4
#> `ChEBI Name` `ChEBI ID` Stars `Secondary ChE…`
#> <chr> <chr> <chr> <chr>
#> 1 codeinone CHEBI:18399 This entity has been manually annot… CHEBI:2248, CHE…
#>
#> $base_info
#> # A tibble: 1 × 7
#> Formula `Net Charge` `Average Mass` `Monoisotopic Ma…` InChI InChIKey SMILES
#> <chr> <chr> <chr> <chr> <chr> <chr> <chr>
#> 1 C18H19NO3 0 297.34840 297.13649 InCh… XYYVYLM… [H][C…
#>
#> $source
#> NULL
#>
#> $roles_classification
#> # A tibble: 1 × 1
#> `Biological Role(s):`
#> <chr>
#> 1 metabolite Any intermediate or product resulting from metabolism. The term 'm…
#>
#> $iupac_name
#> # A tibble: 1 × 1
#> `IUPAC Name`
#> <chr>
#> 1 3-methoxy-17-methyl-7,8-didehydro-4,5α-epoxymorphinan-6-one
#>
#> $synonyms
#> # A tibble: 2 × 2
#> Synonyms Sources
#> <chr> <chr>
#> 1 (5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one KEGG COMP…
#> 2 Codeinone KEGG COMP…
#>
#> $manual_xrefs
#> # A tibble: 2 × 2
#> `Manual Xrefs` Databases
#> <chr> <chr>
#> 1 C00027603 KNApSAcK
#> 2 C06171 KEGG COMPOUND
#>
#> $registry_numbers
#> NULL
#>