Canmetcon
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Toxin Fields

Version Version of T3DB
Creation Date Date the ToxinCard entry was created
Update Date Date the ToxinCard was last updated
Title/T3DB ID Primary accession number consisting of a 3 character prefix (T3D) and a 5 number suffix.
Common Name Standard name of toxin
Compound Type The category of the toxin
Description Description of the toxin describing its composition and/or preparation
Synonyms Alternate names of the toxin
Chemical IUPAC Name IUPAC or standard chemical name for the toxin
Chemical Formula Chemical formula describing atomic or elemental composition
Chemical Structure Image of the toxin structure
INCHI ID IUPAC approved InCHI identifier
CAS Registry Number Chemical Abstract Service identification number
PubChem ID NCBI's PubChem database identification number (if molecule is in PubChem)
KEGG The Kyoto Encyclopedia of Genes and Genomes identification number for the toxin
UniProt ID The UniProt identification number for the protein toxin
OMIM ID The Online Mendelian Inheritance in Man identification number for the toxin
ChEBI ID The Chemical Entities of Biological Interest identification number for the toxin
BioCyc ID The BioCyc identification number for the toxin
SuperToxic ID The SuperToxic identification number for the toxin
CTD ID The Comparative Toxicogenomics Database identification number for the toxin
Stitch ID The Search Tool for Interactions of Chemicals identification number for the toxin
DrugBank ID The DrugBank identification number for the toxin
PDB ID The Protein Data Bank identification number for the toxin
ACToR ID The Aggregated Computational Toxicology Resource identification number for the toxin
Wikipedia Link Hyperlink to Wikipedia's encyclopedic entry for the Toxin
Average Molecular Weight Molecular weight in g/mol, determined from molecular formula
Monoisotopic Molecular Weight The sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principle (most abundant) isotope for each element instead of the isotopic average mass.
Solubility water solubility in mg/mL using ALOGPS solubility predictor
LogP/Hydrophobicity Water/octanol partition coefficient determined using JChem logp predictor
MOL File Text version of toxin structure in Mol file format
PDB File Image of toxin's 3D structure in PDB format, calculated using JChem
SMILES Canonical SMILES string corresponding to toxin structure
Appearance Outward or visible aspect of the toxin
Melting Point Melting point (if solid) or boiling point (if liquid) in degrees Celsius
Route of Exposure Description of how the toxin enters the human body
Mechanism of Toxicity Description of how the toxin works or what it binds to at a molecular level
Metabolism The biotransformation of the toxin after it enters the body
Toxicity Values Experimental toxicity values of the toxin. Usually LD50 or LC50 values
Lethal Dose The dose that would cause death in a human being
Carcinogenicity The level to which the toxin is invovled in the promotion of cancer or in the increase of its propagation. The scale displayed is the IARC Classification.
Uses/Sources Description of how humans commonly encounter the toxin - how the toxin is used or in what products they are found
Minimum Risk Level An estimate of the daily human exposure to a hazardous substance that is likely to be without appreciable risk of adverse noncancer health effects over a specified duration of exposure
Health Effects The long term physiological deficiencies, damage or problems caused by the toxin
Symptoms The immediate and short term physiological effects of the toxin
Treatment Possible care provided to improve symptoms and health effects caused by the toxin (especially medical procedures or applications that are intended to relieve illness or injury)
General References References for the information retrieved for the toxin. Journal articles are hyperlinked to PubMed.
Targets Substances that the toxin chemically binds to

Target Fields

Name Name of the protein or macromolecule (or other small molecule) that the toxin is supposed to act upon. Some toxins act on multiple targets, so these fields may be repeated several times, reflecting the number of toxin targets a specific toxin may have.
Gene Name Gene name of toxin target
Synonyms Alternate names (protein names, abbreviations, etc.) of the toxin target
Sequence Sequence (protein or DNA) of the toxin target
Number of Residues Number of amino acids (usually) in the toxin target
Molecular Weight (Daltons) Molecular weight of the toxin target given in Daltons or g/mol
Theoretical pI Theoretical isoelectric point of the toxin target
GO Classification Gene ontology classification of the toxin target including function, cellular process and location
General Function Short 3-4 word summary of the toxin target's primary functions
Specific Function Detailed 30-40 word summary of the toxin target's specific functions
Pathway Key pathways or processes (determined primarily from KEGG) that the toxin target is involved in.
Reaction Reaction(s) that the toxin target participates in
Pfam Domain Function Names and ID numbers of PFAM domains found in the toxin target
Signals Location of signal peptide or other localization signals in the toxin target sequence
Transmembrane Regions Number and location of the toxin target's transmembrane helices
Essentiality Importance or essentialness of the toxin target in terms of the organism's ability to survive without it
GenBank ID Protein GenBank protein ID for the toxin target (if it exists)
SwissProt ID SwissProt ID for the toxin target (if it exists)
SwissProt Name SwissProt protein name for the toxin target (if it exists)
PDB ID PDB ID for the toxin target (if it exists)
Cellular Location Location of the toxin target inside or around the cell (cytoplasm, nucleus, membrane, etc.)
Gene Sequence DNA sequence (from cDNA) of the toxin target
GenBank ID Gene GenBank gene ID for the toxin target
GeneCard ID GeneCard ID for the toxin target
GenAtlas ID GenAtlas ID for the toxin target
HGNC ID HGNC ID for the toxin target
Chromosome Location Location of the toxin target on any of the 23 human chromosomes (no location is given if the toxin target is bacterial)
Locus More detailed location of the chromosomal position of the toxin target
References Pubmed references for the toxin target