Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach “Reverse Pathway Engineering”
Figure 5
The suggested reaction converting alpha-hydroxy-isocaproate (HICA) to 3-methylbutanoic acid (adapted from BioPath.Design).
The suggested reaction is shown in the upper part. One of the reference reactions is indicated together with the information on the enzyme which catalyzes it.