Figure 5
From: An efficient algorithm for de novo predictions of biochemical pathways between chemical compounds
Novel pathway finding for plant biochemical pathways. "Gentiodelphin" is a plant-derived secondary metabolite associated with blue dye, and is known to be synthesized from "Delphinidin". The biochemical pathway was predicted with a start node of Delphinidin and a goal node of Gentiodelphin. The LP heuristic predicted the two shortest path solutions shown in this figure. The arrow indicates the reaction rule for routing information, accompanied by the KEGG reaction number. Both predicted pathways consist of four enzyme reactions. The first path (blue) is a metabolic pathway present in the KEGG pathway database. On the other hand, the second path (orange) is new and not registered in the KEGG database, and there is a possibility of a new route where the operator "R6798" is applied at the end.