Circular van Krevelen diagram for visualizing metabolic pathways

Abstract

Emerging biochemical data require effective pathway visualization. However, traditional metabolic maps were based on manual layouts, falling behind new scientific discoveries. Automated visualization of metabolic pathways has been investigated heavily, but resulted in few consensuses. We report here a new approach based on circularized van Krevelen diagram. This method is based on chemical principles, providing the consistency critical for community exchanges and collaborations. Example applications include metabolomics data interpretation and a new set of metabolic maps.