Data Sources

Contaminant Field Sources

Creation Date Automatically determined, internal program
Update Date Automatically determined, internal program
Accession Number Automatically determined, internal program
Name PubChem, UniProt, PubMed, DrugBank
Compound Type Manual search
Description Wikipedia, manual search
Synonyms HMDB, DrugBank, PubChem, NIST Chemistry WebBook, KEGG, NCI Database Browser, PharmGKB, FDA, ChEBI, ChemExpert
Chemical IUPAC Name HMDB, DrugBank, PubChem
Chemical Formula Chemical Structure Server
Chemical Structure Chemical Structure Server
CAS Registry Number Wikipedia, PubChem, manual search
InChI Identifier HMDB, DrugBank, PubChem, NIST Chemistry WebBook, World Wide Molecular Matrix, manual search
PubChem Compound PubChem
KEGG HMDB, DrugBank, KEGG, PubChem, ChEBI
UniProt ID UniProt
OMIM ID HMDB, KEGG, OMIM
ChEBI ID HMDB, DrugBank, ChEBI, KEGG
BioCyc ID BioCyc
SuperToxic ID SuperToxic
CTD ID CTD
Stitch ID STITCH
DrugBank ID DrugBank
PDB ID PDB
ACToR ID ACToR
Wikipedia Link Wikipedia
Monoisotopic Mass Chemical Structure Server
MOL File Chemical Structure Server
PDB File Chemical Structure Server
SMILES HMDB, DrugBank, PubChem, MolConvert, NCI Database Browser, Wikipedia
Appearance HSDB, Wikipedia, manual search
Melting Point HMDB, DrugBank, SRC PhysProp, ChemExper, Wikipedia
Solubility HMDB, SRC PhysProp
Predicted LogP Chemical Structure Server
Route of Exposure Wikipedia, ATSDR, manual search
Mechanism of Toxicity Wikipedia, ATSDR, INCHEM, PubMed, Micromedex, manual search
Metabolism Wikipedia, ATSDR, INCHEM, PubMed, Micromedex, manual search
Toxicity Values HSDB, MSDS, Micromedex, manual search
Lethal Dose HSDB, Wikipedia, Micromedex, manual search
Carcinogenicity (IARC Classification) IARC
Uses/Sources HSDB, Wikipedia, ATSDR, manual search
Minimum Risk Level ATSDR
Health Effects HSDB, Wikipedia, ATSDR, INCHEM, PubMed, Micromedex, manual search
Symptoms HSDB, Wikipedia, ATSDR, INCHEM, PubMed, Micromedex, manual search
Treatment HSDB, Wikipedia, ATSDR, INCHEM, PubMed, Micromedex, manual search
General References PubMed, internal program, manual search
Targets Wikipedia, ATSDR, INCHEM, PubMed, STITCH, manual search

Source Links

PubChem http://pubchem.ncbi.nlm.nih.gov/
KEGG http://www.genome.jp/kegg/
PharmGKB http://www.pharmgkb.org/
SwissProt/UniProt http://www.uniprot.org/
GenBank http://www.ncbi.nlm.nih.gov/
ChEBI http://www.ebi.ac.uk/chebi/
PDB http://www.rcsb.org/pdb
RxList http://www.rxlist.com/
FDA http://www.fda.gov/
Pubmed http://www.ncbi.nlm.nih.gov/sites/entrez
PhysProp http://www.syrres.com/esc/physdemo.htm
MolConverter http://www.chemaxon.com/marvin/doc/user/molconvert.html
Gene Ontology http://www.geneontology.org/
Pfam http://pfam.sanger.ac.uk
ProParam server http://www.expasy.org/tools/protparam.html
Spectral Database System http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi
NIST WebBook http://webbook.nist.gov/chemistry/
Health Canada Drug Product Database (DPD) http://www.hc-sc.gc.ca/dhp-mps/prodpharma/databasdon/index-eng.php
Open Babel http://openbabel.sourceforge.net/
Ligand Depot http://ligand-depot.rutgers.edu/
ChemPDB http://www.ebi.ac.uk/msd-srv/chempdb/
ToxNET http://toxnet.nlm.nih.gov/
BCCA Cancer Drug Manual http://www.bccancer.bc.ca/HPI/DrugDatabase/DrugIndexPro/default.htm
Drugs.com http://www.drugs.com
PDRhealth http://www.pdrhealth.com
Therapeutic Target Database http://xin.cz3.nus.edu.sg/group/cjttd/TTD_ns.asp
ADME databases http://modem.ucsd.edu/adme/databases/databases_extend.htm
dbSNP http://www.ncbi.nlm.nih.gov/projects/SNP/
HapMap http://www.hapmap.org/