MetPlus DB
MetPlus DB as a standalone SQLite database is developed to facilitate external identifier or mass-based searches from the collection of comprehensive metabolite databases. The data is primarily integrated by merging records based on IUPAC International Chemical Identifier (InChIKey) to deliver high confidence annotations with a significantly reduced redundancy and eliminates the complexity of extracting metabolite annotations from individual databases.
MetPlus DB is a freely accessible SQLite database that assembles information from 3rd party data sources. We cannot guarantee that the database is error-free. Please feel free to report an error or send comments/suggestions to corresponding author by e-mail. We shall not be held liable for any inaccuracies and/or misuse of the information provided. Database updates take place every quarterly to broaden the search space and accommodate additional data-fields to serve the scientific community with the most up-to-date and comprehensive information on metabolites.
- Loading Sqlite Database
sqlite3 MetPlus.db
- Look-up Database Schema
.schema MetPlus
Result:
CREATE TABLE MetPlus (INCHIKEY VARCHAR(30), FORMULA VARCHAR(30), MONOISOTOPIC_WEIGHTS REAL, COMMON_NAME VARCHAR(100), IUPAC_NAME VARCHAR(500), SYSTEMATIC_NAME VARCHAR(500), TRADE_NAME VARCHAR(500), HMDB_ID VARCHAR(30), LMDB_ID VARCHAR(30), HUMANCYC_ID VARCHAR(20), PUBCHEM_CID INT, CHEMSPIDER_ID INT, CHEBI_ID INT, METLIN_ID INT, KEGG_ID VARCHAR(30), FooDB_ID VARCHAR(30));
- Running SQL query to output first 2 rows from MetPlus-DB
select * from MetPlus limit 2;
Result:
inchikey,monoisotopic_weight,formula,common_name,iupac_name,systematic_name,trade_name,HMDB_id, LMDB_id,Humancyc_id,Pubchem_CID,Chemspider_id,Chebi_id,metlin_id,KEGG_id,foodb_id
AAABYGXUNQSIIU-IOWSJCHKSA-N,652.431535,C33H65O10P,PG(13:0/14:0),[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] tetradecanoate,[(2R)-1-[[(2S)-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-tridecanoyloxy-propan-2-yl] tetradecanoate,myristic acid [(1R)-1-[[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxymethyl]-2-tridecanoyloxy-ethyl] ester,NA,LMGP04010069,NA,52926334,NA,NA,NA,NA,NA
AAAFZMYJJHWUPN-AIHAYLRMSA-J,305.954184,C5H8O11P2-4,D-ribose 1,5-diphosphate,[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl] phosphate,[(2S,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl] phosphate,[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphatomethyl)tetrahydrofuran-2-yl] phosphate,NA,NA,hum0001,25244507,2300618,1044,111293,388533,26328792,26331130,NA,NA,NA,NA
- Running SQL query to look up anntations for Glycerol
select * from MetPlus where COMMON_NAME = 'Glycerol';
Result:
inchikey,monoisotopic_weight,formula,common_name,iupac_name,systematic_name,trade_name,HMDB_id, LMDB_id,Humancyc_id,Pubchem_CID,Chemspider_id,Chebi_id,metlin_id,KEGG_id,foodb_id
PEDCQBHIVMGVHV-UHFFFAOYSA-N,92.047344,C3H8O3,Glycerol,propane-1,2,3-triol,propane-1,2,3-triol,glycerol,HMDB00131,NA,hum0691,753,733,17522,17754,105,C00116,FDB000756