Assignments of 1H and 13C NMR Signals of 26 Metabolites Associated with the Shikimate Pathway

doi:10.11938/cjmr20162521

Abstract

Abstract: Shikimate metabolic pathway exists in plants, microorganisms and parasites as an important route for biosynthesis of aromatic amino acids, antibiotics, plant hormones and secondary metabolites with essential physiological activities. Although the NMR data and assignments of relevant metabolites are available in the literature, these data were not easily adaptable to modern metabonomics studies, in which water and acetonitrile were frequently used as solvents. In addition, the NMR data for some of the metabolites, such as 5-hydroxyindoleacetic acid and indolelactic acid, were either incomplete or incompletely assigned, especially for the quaternary carbons. With ¹H NMR and ¹H-¹³C HMBC two-dimensional NMR, we completely assigned the ¹H and ¹³C NMR signals of 26 metabolites associated with the shikimate pathway, including 2 non-aromatic carboxylic acids, 2 plant hormones, 3 essential aromatic amino acids, and 19 plant secondary metabolites. A databank was constructed for the ¹H and ¹³C NMR spectra of these metabolites in D₂O and acetonitrile, providing a systematic and useful data collection for phytochemistry and metabonomics studies.

Key words: NMR, shikimate pathway, metabolite assignment

CLC Number:

O482.53

LIU Fu-fa, YANG Xiao-yan, HAO Fu-hua, WANG Yu-lan, TANG Hui-ru. Assignments of ¹H and ¹³C NMR Signals of 26 Metabolites Associated with the Shikimate Pathway[J]. Chinese Journal of Magnetic Resonance, 2017, 34(3): 311-322.

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Assignments of ¹H and ¹³C NMR Signals of 26 Metabolites Associated with the Shikimate Pathway

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