Table 3.
List of metabolites corresponding to the 30 features that were significantly changed following SRC based on either the VIAVC best subset analysis or a paired t-test.
| Metabolite | VIAVC P-value | PLS-DA VIP Score | T-Test P-value | Regulation |
|---|---|---|---|---|
| 2-Hydroxybutyrate | 5.42E-45 | 0.41803 | Not Sig. | Down |
| 3,4-Dihydroxybenzeneacetate.1/Carnitine.1 | 4.86E-19 | 0.14659 | Not Sig. | Up |
| 4-Hydroxybenzoate | 3.98E-85 | 0.58827 | Not Sig. | Up |
| Caffeine | 3.29E-52 | 0.35628 | Not Sig. | Down |
| Carnitine.2 | 1.56E-38 | 0.54019 | Not Sig. | Up |
| Homocitrulline | 2.15E-77 | 0.44871 | Not Sig. | Down |
| Methionine/Acetylcarnitine.1 | 2.59E-50 | 0.4312 | Not Sig. | Up |
| 3-Methyl-2-Oxovalerate | 8.18E-26 | 0.41031 | Not Sig. | Up |
| Phosphorylcholine/Choline/Acetylcarnitine.2 | 1.52E-128 | 0.55238 | Not Sig. | Up |
| Propylene Glycol | 4.50E-77 | 0.94917 | Not Sig. | Down |
| Taurine/3,4-Dihydroxybenzeneacetate.2/Carnitine.3 | 1.40E-41 | 0.37166 | Not Sig. | Up |
| *1-Methylhistadine/3-Methylhistadine | 3.69E-50 | 0.91339 | 0.03871 | Down |
| *Citrate | 9.08E-100 | 0.95022 | 0.032117 | Down |
| *Lactose | 8.24E-43 | 0.78734 | 0.043613 | Up |
| *Phenylalanine.1 | 1.60E-43 | 1.1556 | 0.00719 | Up |
| *Phenylalanine.2 | 1.71E-42 | 2.4739 | 0.000322 | Up |
| *Phenylalanine.3/3-Indoxylsulfate.1 | 2.30E-72 | 2.26 | 0.002267 | Up |
| *Sucrose | 2.22E-42 | 0.62691 | 0.037745 | Down |
| 3-Methyladipate/Isobutyrate | Not Sig. | N/A | 0.04133 | Down |
| 3-Hydroxyisovalerate | Not Sig. | N/A | 0.020594 | Down |
| 3-Indoxylsulfate.2 | Not Sig. | N/A | 0.006534 | Up |
| 5-Aminolevulinate | Not Sig. | N/A | 0.019592 | Up |
| Anserine.1/Tyrosine | Not Sig. | N/A | 0.026885 | Up |
| Anserine.2 | Not Sig. | N/A | 0.037285 | Up |
| Carnosine/Anserine.3 | Not Sig. | N/A | 0.024957 | Up |
| Isoleucine/Leucine | Not Sig. | N/A | 0.02161 | Up |
| Phenylalanine.4 | Not Sig. | N/A | 0.002615 | Up |
| Phenylalanine.5 | Not Sig. | N/A | 0.005616 | Up |
| Phenylalanine.6 | Not Sig. | N/A | 0.033934 | Up |
| Threonate/Cysteine | Not Sig. | N/A | 0.011865 | Down |
Each feature's VIAVC p-value, VIP score from the PLS-DA analysis, paired t-test p-value, and regulation are shown. Any metabolites that have a number following their name (for example, Phenylalanine.1 and Phenylalanine.2) correspond to different spectral peaks of the same metabolite. Asterisks indicate that this feature was common to both VIAVC and paired t-test. Entries labeled with Not Sig. correspond to metabolites that were not found to be significant by the corresponding test. Entries labeled N/A indicate that a VIP score was not calculated on those metabolites, as they were not included in the PLS-DA model shown in Figure 2.