Table 4.
The significant pathways from pathway analyses for the six significant PCs.
| PC | Pathway | Total | Raw p | FDR p | Impact | Hits | Hit metabolites |
|---|---|---|---|---|---|---|---|
| PC8 | Caffeine metabolism | 10 | 2.81E-08 | 2.36E-06 | 1.00 | 5 | Paraxanthine 1-Methylxanthine Theobromine 7-Methylxanthine Caffeine |
| PC13 | Caffeine metabolism | 10 | 1.26E-04 | 1.06E-02 | 1.00 | 3 | Paraxanthine 1-Methylxanthine Caffeine |
| Arachidonic acid metabolism | 36 | 3.31E-01 | 1.00 | 0.31 | 1 | Arachidonate | |
| Nicotinate and nicotinamide metabolism | 15 | 1.53E-01 | 1.00 | 0.19 | 1 | Nicotinamide | |
| PC16 | Caffeine metabolism | 10 | 1.78E-04 | 1.49E-02 | 0.31 | 3 | Paraxanthine Theobromine 7-Methylxanthine |
| Butanoate metabolism | 15 | 1.36E-02 | 5.71E-01 | 0.11 | 2 | Acetoacetate 2-Hydroxyglutarate |
|
| Synthesis and degradation of ketone bodies | 5 | 5.99E-02 | 1.00 | 0.60 | 1 | Acetoacetate | |
| PC20 | Caffeine metabolism | 10 | 6.69E-03 | 5.62E-01 | 0.69 | 2 | Paraxanthine 7-Methylxanthine |
| Synthesis and degradation of ketone bodies | 5 | 6.30E-02 | 1.00 | 0.60 | 1 | Acetoacetate | |
| Nicotinate and nicotinamide metabolism | 15 | 1.78E-01 | 1.00 | 0.19 | 1 | Nicotinamide | |
| Butanoate metabolism | 15 | 1.78E-01 | 1.00 | 0.11 | 1 | Acetoacetate | |
| PC22 | Nicotinate and nicotinamide metabolism | 15 | 9.70E-03 | 8.15E-01 | 0.33 | 2 | 1-Methylnicotinamide Nicotinamide |
| PC29 | Vitamin B6 metabolism | 9 | 1.11E-01 | 1.00 | 0.49 | 1 | Pyridoxal |
Total means the total number of metabolites in this pathway according to KEGG. Raw p is the original p value calculated from the enrichment analysis; FDR p is the p value adjusted using False Discovery Rate; Impact is the pathway impact value calculated from the pathway topology analysis. Hits represents the number of metabolites out of the Total that were in the top 10% of loadings for the PC in present study for the corresponding pathway.