Table 3

A comparison of MetaCyc and KEGG compound attributes, for those attributes where one hundred or more objects have a value for that attribute
MetaCyc KEGG
Attribute Frequency Attribute Frequency
Monoisotopic-MW 9475 Exact_Mass 14611
Molecular-Weight 9431 Mol_Weight 14611
Creation-date 11705
Creator 10573
SMILES 10546
InChI 9222
Regulates 3573
Credits 2895
Gibbs-0 1033
Cofactors-Of 563

The table presents shared attributes (note that the name for the same conceptual attribute may differ between MetaCyc and KEGG), and attributes unique to MetaCyc; the two attribute sets are further sorted based on the number of objects containing non-null values for each attribute. Gibbs-0 is the Gibbs free energy of formation of a compound. Creator, Creation-Date, and Credits provide data provenance. KEGG compound attribute data are derived from the KEGG COMPOUND dataset.

Altman et al.

Altman et al. BMC Bioinformatics 2013 14:112   doi:10.1186/1471-2105-14-112

Open Data