Integrative physicochemical and metabolic profiling of grain components related to nutritional quality in Yunnan hulled wheat and common wheat

Abstract BACKGROUND Yunnan hulled wheat (YHW) is a semi‐primitive wheat. It retains many nutrients lost in modern common wheat (CW) and has received increasing attention because it is proposed to have higher nutritional values than CW. However, information on the chemical composition and metabolic profiles of nutrient components in YHW and CW is limited. The present study aimed to analyze several whole grain component traits related to nutritional quality differences in 55 YHW and CW genotypes, and compared screened five different colored‐grain representative cultivars metabolites using a ultra‐high‐performance liquid chromatography electrospray ionization‐tandem mass spectrometry‐based metabolomics approach. RESULTS Within the compared two sets of species, flavonoids, phenolic acids and amino acids were found to the main differential nutrient and bioactive metabolites. Considerable crucial differences were observed in the 15 amino acids, 39 flavonoids, 26 phenolic acids among five cultivars at filling stage, and 18 amino acids, 42 flavonoids, 26 phenolic acids crucial differences were screened among five cultivars at maturity stage. These differential metabolites were significantly enriched in the biosynthesis of amino acids, phenylproapnoid biosynthesis, flavone and flavonol biosynthesis, and flavonoid biosynthesis pathways. Additionally, correlation analysis showed most amino acids, and derivatives, and phenolic acids were significantly negative associated with the five chemical indicators. By contrarst, most flavonoids were significantly positive correlated. CONCLUSION There were notable differences in the most nutritional compounds within the two species compared and the metabolic profiles of the five cultivars. This study provides a deeper insights into the potential nutritional and health benefits of YHW compared to CW. Furthermore, it provides comprehensive insights into the utilization and development of novel wheat‐based functional foods. © 2025 Society of Chemical Industry.