GNPS - Jatropha curcas root and leaf metabolomic analysis

ABSTRACT: This work present a large data set related to a non-target LC-MS/MS high-resolution metabolome analysis of the leaves and roots of Jatropha curcas. Besides its high protein contents, the seeds of J. curcas are also rich in oil, so the seeds are considered a potential source of raw material to produce biodiesel and a source of food for farm animals. The full exploitation of these potentials is hampered by the presence of a highly toxic class of diterpenoids, the phorbol esters (PE), both in the oil and in the seedcake derived from the extraction of the oil. The seeds are known to possess 6 different PE, and although their structures have been known for almost 30 years, the biosynthetic pathway of each one remains undetermined. However, there are indications that the enzyme casbene synthase is responsible for the first biosynthetic step. The leaves and roots of this species are also rich in several classes of diterpenes which by themselves have pharmacological potential not yet explored. For our analysis, we used two genotypes that are contrasting regarding the contents of phorbol esters: One genotype has a high level of phorbol esters (HPE), while the other has low levels of phorbol esters in the seeds (LPE). We were able to detect a total of 2032 features and applied multivariate statistical methods, such as PCA and heatmap with hierarchical clustering to analyze and visualize the deposition pattern of metabolites, with a focus on terpenoids. Our analysis allowed us to several new findings regarding the synthesis of PE in J. curcas, such as that only in HPE genotypes roots are found diterpenes with the tigliane skeleton. In contrast, the LPE genotype has a higher concentration and diversity of sesquiterpenes. Taking into consideration the results of our previous proteome analysis of seeds, roots, and leaves and the metabolome data presented in the manuscript, we suggest that the absence of PE in the LPE genotype may be the result of the absence of the enzymes responsible for the final biosynthetic steps, which in turn lead to the accumulation of sesquiterpenes this genotype.

INSTRUMENT(S): Q Exactive Plus

ORGANISM(S): Jatropha Curcas (ncbitaxon:180498)

SUBMITTER: Domingos F. M. Neto  

PROVIDER: MSV000092920 | GNPS |

REPOSITORIES: GNPS