Biocrates kit feature information of the "MxP Quant 500 XL kit" that covers more than 1,000 metabolites with biochemical class information and the exported different metabolite IDs (HMDB, KEGG, etc.). information (INCHI, Key, etc.).
Format
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 1019 rows and 14 columns.
Examples
data(biocrates_features)
head(biocrates_features)
#> # A tibble: 6 × 14
#> TrivialName TrivialName_Prior2023 Class CAS CHEBI CID HMDB INCHI Key
#> <chr> <chr> <chr> <chr> <chr> <chr> <chr> <chr> <chr>
#> 1 1-Met-His 1-Met-His Aminoac… 332-… 50599 92105 HMDB… InCh… BRMW…
#> 2 3-IAA 3-IAA Indoles… 87-5… 16411 802 HMDB… InCh… SEOV…
#> 3 3-IPA 3-IPA Indoles… 830-… 43580 3744 HMDB… InCh… GOLX…
#> 4 3-Met-His 3-Met-His Aminoac… 368-… 27596 64969 HMDB… InCh… JDHI…
#> 5 5-AVA 5-AVA Aminoac… 660-… 15887 138 HMDB… InCh… JJMD…
#> 6 AABA AABA Aminoac… 1492… 2879… 6657… HMDB… InCh… QWCK…
#> # ℹ 5 more variables: IUPAC <chr>, LIMID <chr>, MESH <chr>, Molecule <chr>,
#> # SMILES <chr>