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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 |
Name |
PubMed, SwissProt, KEGG, MetaCyc, manual search |
Mechanism of Action |
Wikipedia, ATSDR, INCHEM, PubMed, manual search |
Description |
SwissProt |
Synonyms |
SwissProt |
Gene Name |
SwissProt |
Protein Sequence |
SwissProt, GenBank |
Number of Residues |
Internal program |
Molecular Weight |
Internal program |
Theoretical pI |
Internal program |
GO Classification |
Gene Ontology, internal program |
General Function |
SwissProt, ProtFun, internal program, manual search |
Pathways |
KEGG, SwissProt |
Reactions |
SwissProt |
Signals |
SwissProt, internal program |
Transmembrane Regions |
SwissProt, TMHMM |
Essentiality |
Manual search |
Domain Function |
SwissProt |
GenBank ID Protein |
GenBank, GeneCards |
UniProtKB ID |
SwissProt |
Cellular Location |
SwissProt |
Gene Sequence |
GeneCards |
GenBank Gene ID |
GenBank, GeneCards |
GeneCard ID |
GeneCard |
GenAtlas ID |
GenAtlas |
HGNC ID |
HGNC |
Chromosome Location |
GeneCards |
Locus |
GeneCards |
SNPs |
SNPJam (internal program), sourced from dbSNP and HapMap |
Toxin References |
PubMed, internal program, manual search |
General References |
PubMed, internal program, manual search |