chem_props: A database containing the chemical properties and metadata of each RAMP_DB analyte
Source:R/Cleaned_Reference_Metabolite_Databases.R
chem_props.RdThis object contains a collection of RAMP_DB analytes with their corresponding metadata including chemical structure key (smiles), isotop mass, common name and molecular fomular
Format
A data frame with 283,382 rows and 11 variables:
- rampId
Ramp_DB analyte ID/Name (character)
- chem_data_source
Relative source database for the respective analyte (character)
- chem_source_id
Relative source database ID for analyste (character)
- iso_smiles
Smile structure for relative analyte (character)
- inchi_key_prefix
InChlKey prefix of Internation Chemical Identifier (InChl) (character)
- inchi_key
Full InChlKey for corresponding analyte (character)
- inchi
Full InChl identifier structure for analyte (character)
- mw
Molecular weight for analyte (double)
- monoisotop_mass
Relative monoisotopic mass for analyate (double)
- common_name
Analytes common name (character)
- mol_formula
Analytes simplified molecular fomula (character)