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. 2012 Dec 27;8(12):e1002805. doi: 10.1371/journal.pcbi.1002805

Table 2. Alphabetical List of Metabolomic, Chemical or Spectral Databases.

Database Name URL or Web Address Comments
BioMagResBank (BMRB – Metabolimics) http://www.bmrb.wisc.edu/metabolomics/ -Emphasis on NMR data, no biological or biochemical data-Specific to plants (Arabadopsis)
Chemicals Entities of Biological Interest (ChEBI) http://www.ebi.ac.uk/chebi/ -Covers metabolites and drugs of biological interest-Focus on ontology and nomenclature not biology
ChemSpider http://www.chemspider.com/ -Meta-database containing chemical data from 100+ other databases-20+ million compounds-Good search utilities
Golm Metabolome Database http://csbdb.mpimp-golm.mpg.de/csbdb/gmd/gmd.html -Emphasis on MS or GC-MS data only-No biological data-Few data fields-Specific to plants
Human Metabolome Database http://www.hmdb.ca -Largest and most completely annotated metabolomic database-Specific to humans only
KNApSAcK http://kanaya.naist.jp/KNApSAcK/ -A phytochemical database containing data for 50,000 compounds
LipidMaps http://www.lipidmaps.org/ -Contains 22,500 different lipids found in plants & animals-Nomenclature standard
METLIN Metabolite Database http://metlin.scripps.edu/ -Human specific metabolite database-Name, structure, ID only
PubChem http://pubchem.ncbi.nlm.nih.gov/ -Database containing 27 million unique chemicals with links to Bioassays and PubMed abstracts