Table 1.
Summary of the data fields or data types found in each MetaboCard
| Metabolite and medical information | Protein/enzyme information |
|---|---|
| Common name | Enzyme/protein name |
| Description | Enzyme/protein synonyms |
| Synonyms/IUPAC name | Enzyme/protein sequence |
| Chemical structure | Protein number of residues |
| Chemical taxonomy | Protein molecular weight |
| Molecular weight (mono and ave) | Protein pI |
| SMILES (isomeric and canonical) | Protein gene ontology |
| KEGG/PubChem/OMIM/MetaGene links | Protein general function |
| CAS number | Protein specific function |
| InChi identifier | Protein pathways |
| Melting point | Protein reactions |
| Water solubility (predicted and expt) | Protein Pfam domains |
| State (solid, liquid, gas) | Protein signal sites |
| pKa or pI | Protein transmembrane regions |
| LogP or hydrophobicity | Protein metabolic importance |
| MOL/SDF/PDF text files | Protein/enzyme EC link |
| MOL/PDB image files | GenBank, SwissProt, PDB ID |
| NMR spectra (predicted, calculated) | Protein structure data |
| Location (cell, biofluid, tissue) | Protein cellular location |
| Concentration (urine, plasma, CSF) | Gene sequence |
| Associated disorders | GenBank ID |
| Abnormal concentration (urine, plasma, CSF) | Chromosome location |
| Metabolic pathways (KEGG, SimCell) | Chromosome locus |
| Metabolizing enzymes | Protein/enzyme SNPs/mutations |
| Metabolizing ENZYMES | Protein/enzyme references |
A more complete listing is provided under the HMDB ‘Misc’ hyperlink on the HMDB menu bar.