Table 1.
The selected metabolite markers best describing the variance between the metabolome of Mtb cultured in the absence (Mtb controls) and presence of DQ derivative RMB041.
| Metabolite Name (CHEBI ID) |
Average Concentration (mg/g Cells) (Standard Deviation) |
t-Test (p-Value) |
Effect Size (d-Value) |
PLS-DA (VIP) | Fold Change (Log2) |
|
|---|---|---|---|---|---|---|
| Mtb with DQ derivative RMB041 | Mtb controls | |||||
| 9-Octadecenoic acid (36021) | 0.967 (0.192) | 0.560 (0.041) | 0.000 | 34.47 | 2.59 | 0.73 |
| Myo-Inositol (17268) | 0.024 (0.032) | 0.020 (0.002) | 0.000 | 5.298 | 1.99 | 0.20 |
| Ribitol (15963) | 0.318 (0.513) | 0.100 (0.005) | 0.006 | 2.098 | 1.98 | 2.18 |
| Arabitol (18403) | 0.877 (0.962) | 0.790 (0.199) | 0.010 | 2.206 | 1.98 | 0.11 |
| Eicosanoic acid (28822) | 0.018 (0.025) | 0.004 (0.001) | 0.000 | 3.968 | 1.94 | 3.50 |
| Erythritol (17113) | 0.023 (0.027) | 0.028 (0.001) | 0.001 | 3.176 | 1.92 | −0.18 |
| N-Acetyl-Lysine (35704) | 0.000 (0.000) | 0.004 (0.003) | 0.009 | 1.938 | 1.81 | −1.00 |
| 9,12-Octadecadienoic acid (17351) | 0.578 (0.827) | 0.111 (0.008) | 0.016 | 1.835 | 1.67 | 4.21 |
| Valine (16414) | 0.039 (0.063) | 0.022 (0.005) | 0.019 | 1.908 | 1.65 | 0.77 |
| Aspartic acid (17053) | 0.018 (0.033) | 0.013 (0.004) | 0.038 | 1.341 | 1.65 | 0.38 |
| Pentadecanoic acid (42504) | 0.017 (0.023) | 0.004 (0.001) | 0.021 | 1.648 | 1.64 | 3.25 |
| Galactose (28260) | 0.004 (0.002) | 0.011 (0.001) | 0.185 | 0.747 | 1.57 | −0.64 |
| Glutamic acid (16015) | 0.024 (0.043) | 0.015 (0.006) | 0.032 | 1.549 | 1.56 | 0.60 |
| Lysine (18019) | 0.016 (0.030) | 0.009 (0.006) | 0.047 | 1.291 | 1.56 | 0.78 |
| 2-Hydroxyglutaric acid (32796) | 0.003 (0.004) | 0.002 (0.001) | 0.037 | 1.384 | 1.53 | 0.50 |
| Proline (26271) | 0.022 (0.041) | 0.016 (0.013) | 0.060 | 1.202 | 1.50 | 0.38 |
| Glycerol-3-phosphate (15978) | 0.012 (0.016) | 0.007 (0.002) | 0.049 | 1.308 | 1.47 | 0.71 |
| Malonic acid (30794) | 0.173 (0.213) | 0.039 (0.045) | 0.249 | 0.684 | 1.46 | 3.44 |
| Glycerol (17754) | 0.994 (1.45) | 0.633 (0.031) | 0.057 | 1.171 | 1.44 | 0.57 |
| Nonadecanoic acid (NSC11914) | 0.499 (0.731) | 0.055 (0.009) | 0.065 | 1.127 | 1.41 | 8.07 |
| Alanine (16977) | 0.321 (0.621) | 0.207 (0.152) | 0.067 | 1.156 | 1.40 | 0.55 |
| Octadecanoic acid (28842) | 0.027 (0.034) | 0.005 (0.000) | 0.068 | 1.150 | 1.40 | 4.40 |
| β-Aminoisobutanoic acid (33094) | 0.035 (0.057) | 0.014 (0.004) | 0.073 | 1.310 | 1.38 | 1.50 |
| γ-Aminobutyric acid (16865) | 0.011 (0.018) | 0.016 (0.006) | 0.085 | 1.315 | 1.34 | −0.31 |
| Tyrosine (17895) | 0.006 (0.012) | 0.003 (0.001) | 0.147 | 0.843 | 1.32 | 1.00 |
| 9-Hexadecenoic acid (59265) | 0.105 (0.153) | 0.018 (0.003) | 0.099 | 0.975 | 1.29 | 4.83 |
| Heptadecanoic acid (32365) | 0.052 (0.069) | 0.011 (0.002) | 0.103 | 0.975 | 1.29 | 3.73 |
| Ribofuranose (33942) | 0.003 (0.003) | 0.007 (0.002) | 0.239 | 0.653 | 1.28 | −0.57 |
| Glucose (17243) | 0.045 (0.031) | 0.037 (0.005) | 0.174 | 0.770 | 1.24 | 0.22 |
| Isoleucine (17191) | 0.018 (0.032) | 0.008 (0.008) | 0.216 | 0.702 | 1.21 | 1.25 |
| 9Z-Octadec-1-ol (73504) | 0.026 (0.036) | 0.004 (0.003) | 0.276 | 0.601 | 1.17 | 5.50 |
| Decanoic acid (30813) | 0.008 (0.009) | 0.005 (0.001) | 0.157 | 0.836 | 1.18 | 0.60 |
| Malic acid (6650) | 0.084 (0.127) | 0.054 (0.004) | 0.172 | 0.775 | 1.11 | 0.56 |
| Ornithine (15729) | 0.029 (0.054) | 0.025 (0.015) | 0.191 | 0.841 | 1.09 | 0.16 |
| Serine (17822) | 0.011 (0.021) | 0.004 (0.002) | 0.151 | 0.850 | 1.06 | 1.75 |
| Threonine (16857) | 0.049 (0.088) | 0.016 (0.008) | 0.173 | 0.791 | 0.93 | 2.06 |