Clustering data with hclust algorithm for (Study ST002287)
(Analysis AN003739)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Uridine | ME548874 | NA | NA | 0.07 | 0.07 | 0.08 | NA | 0.09 | 0.05 | 0.06 | 0.07 | 0.23 | 0.07 | 0.07 | NA | 0.15 | NA | 0.16 | 0.08 | 0.16 | 0.13 | 1.78 | 0.08 | 0.07 | 0.17 | 0.32 | 1.62 | 1.95 | 12.75 | 0.74 | 0.09 | 1.70 | 1.89 | 0.22 | 3.81 | 2.04 | 0.22 |
| Aspartic acid | ME548819 | 2.68 | 0.72 | 0.86 | 0.45 | 0.23 | 2.09 | 7.06 | 5.35 | 0.22 | 0.10 | 2.96 | 0.30 | 1.28 | 0.39 | 2.15 | 0.21 | 0.29 | 7.58 | 0.02 | 0.03 | 0.09 | 0.02 | 0.09 | 0.04 | 0.08 | 0.14 | 0.02 | 0.03 | 0.05 | 0.10 | 0.14 | 0.17 | 0.02 | 0.03 | 0.01 | 0.00 |
| Fumaric acid | ME548805 | 2.37 | 1.61 | 1.41 | 5.13 | 3.14 | 1.13 | 1.38 | 1.66 | 2.10 | 2.53 | 0.81 | 0.81 | 0.75 | 1.43 | 1.27 | 1.92 | 1.46 | 0.56 | 0.01 | 0.01 | 0.30 | 0.21 | 0.19 | 0.18 | 0.46 | 0.43 | 0.07 | 0.60 | 0.38 | 0.05 | 0.15 | 0.85 | 0.03 | 0.45 | 0.09 | 0.04 |
| Guanine | ME548834 | 0.99 | 1.12 | 3.15 | 3.06 | 4.27 | 1.61 | 0.78 | 0.61 | 2.13 | 3.45 | 1.57 | 1.12 | 2.14 | 1.21 | 1.76 | 1.01 | 3.18 | 1.32 | 0.02 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.05 | 0.10 | NA | 0.01 | 0.01 | 0.01 | 0.10 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 |
| N-Acetylalanine | ME548814 | 1.34 | 0.76 | 3.30 | 2.72 | 1.10 | 1.90 | 0.73 | 2.19 | 2.70 | 0.51 | 1.00 | 1.91 | 1.03 | 2.41 | 2.86 | 1.66 | 4.09 | 3.51 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.03 | 0.07 | 0.00 | 0.02 | 0.01 | 0.01 | 0.03 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 |
| Pyruvic acid | ME548888 | 0.75 | 1.17 | 1.52 | 1.01 | 0.93 | 0.97 | 1.78 | 1.73 | 0.58 | 1.26 | 0.58 | 0.89 | 1.14 | 0.60 | 0.80 | 1.02 | 0.93 | 1.21 | 1.65 | 0.72 | 0.53 | 0.52 | 0.63 | 0.92 | 1.01 | 2.83 | 0.51 | 1.26 | 1.30 | 0.29 | 0.99 | 1.17 | 0.41 | 0.63 | 0.96 | 0.83 |
| 12-Hydroxy lauric acid | ME548868 | 1.04 | 1.88 | 0.81 | NA | 2.68 | 0.90 | NA | NA | 1.56 | 0.95 | 1.23 | 1.20 | 2.39 | 0.98 | NA | 1.02 | 0.98 | 1.84 | 0.62 | NA | 0.62 | 0.53 | 0.58 | NA | 0.49 | 0.58 | 0.57 | 0.84 | 0.41 | 0.72 | NA | NA | 0.68 | 0.61 | 0.50 | 0.78 |
| N-Methyl-glutamic acid | ME548840 | 2.41 | 2.83 | 1.53 | 0.73 | 0.88 | 1.26 | 1.17 | 1.21 | 0.75 | 0.78 | 2.79 | 1.63 | 0.70 | 0.74 | 1.22 | 1.97 | 0.95 | 0.56 | 0.47 | 1.01 | 0.54 | 0.42 | 0.77 | 0.54 | 0.45 | 0.94 | 0.56 | 0.48 | 0.39 | 0.78 | 0.64 | 0.46 | 1.96 | 0.44 | 0.48 | 0.56 |
| Glucose 6-phosphate | ME548875 | 2.17 | 1.95 | 1.61 | 0.47 | 0.38 | NA | 3.60 | 0.85 | 0.66 | 0.38 | 0.36 | 0.80 | 1.68 | 3.08 | 0.42 | 0.49 | 1.10 | 0.90 | NA | NA | 0.25 | 0.28 | NA | NA | 0.43 | 0.74 | NA | NA | NA | 0.29 | 0.69 | 0.43 | NA | NA | NA | NA |
| 2,6-Diaminopimelic acid | ME548862 | 1.24 | 0.67 | 1.32 | 0.48 | 0.26 | 1.05 | 1.10 | 1.92 | 0.28 | 0.37 | 2.57 | 0.49 | 1.82 | 1.83 | 0.58 | 0.40 | 0.37 | 3.16 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.06 | NA | NA | NA | 0.04 |
| UMP | ME548881 | 1.82 | 0.81 | 2.19 | 1.17 | 0.91 | 2.27 | 2.28 | 2.32 | 0.18 | 0.29 | 2.17 | NA | 0.40 | 0.25 | 0.88 | NA | 0.14 | 3.94 | 0.09 | NA | 0.46 | 0.06 | 0.27 | 0.08 | 0.60 | 0.99 | NA | NA | 0.32 | NA | NA | 0.11 | NA | NA | NA | NA |
| Isoleucine | ME548815 | 1.63 | 1.07 | 2.87 | 1.32 | 2.30 | 1.94 | 1.99 | 1.04 | 2.30 | 4.16 | 2.27 | 0.86 | 0.70 | 3.21 | 0.71 | 2.11 | 0.62 | 2.04 | NA | 0.04 | 0.10 | 0.09 | 0.12 | 0.04 | NA | 0.02 | 0.10 | 0.04 | 0.03 | 0.06 | 0.04 | 0.04 | 0.08 | 0.03 | 0.03 | 0.03 |
| Nicotinic acid | ME548811 | 0.86 | 0.99 | 1.62 | 1.55 | 1.18 | 0.70 | 2.49 | 2.32 | 1.63 | 1.67 | 2.43 | 1.95 | 3.70 | 2.95 | 0.59 | 4.00 | 3.60 | 0.94 | 0.00 | 0.01 | 0.07 | 0.03 | 0.05 | 0.02 | 0.04 | 0.17 | 0.01 | 0.04 | 0.04 | 0.05 | 0.12 | 0.14 | 0.01 | 0.02 | 0.01 | 0.00 |
| Ketoleucine | ME548813 | 0.87 | 0.71 | 2.43 | 1.68 | 2.17 | 2.06 | 1.59 | 1.27 | 2.69 | 1.62 | 1.19 | 1.94 | 1.73 | 1.57 | 2.38 | 4.12 | 1.64 | 0.79 | 0.18 | 0.19 | 0.24 | 0.13 | 0.18 | 0.18 | 0.11 | 0.34 | 0.19 | 0.30 | 0.19 | 0.15 | 0.09 | 0.19 | 0.26 | 0.14 | 0.22 | 0.28 |
| Mevalolactone | ME548830 | 0.83 | 1.18 | 1.89 | 1.45 | 3.00 | 2.51 | 2.34 | 2.15 | 0.78 | 0.95 | 0.90 | 1.76 | 3.92 | 1.10 | 2.00 | 3.39 | 1.58 | 0.98 | NA | NA | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.04 | 0.03 | 0.01 | 0.02 | NA | 0.01 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 |
| 3-Hydroxyanthranilic acid | ME548837 | 0.79 | 0.68 | 0.59 | 1.10 | 1.44 | 1.61 | 1.86 | 0.68 | 2.87 | 2.49 | 1.59 | 1.07 | 0.32 | 0.82 | 1.38 | 1.99 | 3.31 | 1.00 | 0.22 | NA | 0.17 | NA | NA | 0.15 | NA | 0.33 | 0.40 | 0.24 | NA | NA | 0.38 | 0.15 | NA | NA | 0.13 | 0.26 |
| Pyruvaldehyde | ME548887 | 1.46 | 1.75 | 0.47 | 0.66 | 1.00 | 0.47 | 0.92 | 0.77 | 2.47 | 3.34 | 1.74 | 1.52 | 0.79 | 1.49 | 0.42 | 1.24 | 2.21 | 1.73 | 0.38 | 1.07 | 1.09 | 0.27 | 0.28 | 0.32 | 0.60 | 0.65 | 0.44 | 1.60 | 0.83 | 0.34 | 0.78 | 0.87 | 0.32 | 0.37 | 0.63 | 0.72 |
| Threonine | ME548809 | 0.67 | 1.21 | 1.30 | 0.02 | 0.01 | 0.04 | 3.01 | 2.60 | 2.48 | 2.33 | 2.83 | 1.96 | 2.63 | 2.41 | 2.47 | 1.75 | 1.81 | 3.09 | 0.00 | 0.00 | 0.04 | 0.02 | 0.02 | 0.01 | 0.05 | 0.14 | 0.00 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.00 | NA | NA | NA |
| 4-Acetamidobutanoic acid | ME548824 | 0.85 | 1.07 | 1.11 | 0.97 | 0.54 | 2.51 | 1.61 | 2.05 | 1.51 | 1.81 | 3.90 | 2.33 | 2.72 | 3.08 | 1.02 | 2.43 | 1.08 | 2.65 | 0.17 | 0.05 | 0.39 | 0.11 | 0.16 | 0.09 | 0.15 | 0.43 | 0.08 | 0.12 | 0.26 | 0.13 | 0.12 | 0.13 | 0.11 | 0.08 | 0.07 | 0.10 |
| Isobutyric acid | ME548801 | 1.72 | 0.41 | 0.78 | 0.89 | 1.93 | 0.98 | 2.88 | 1.15 | 1.98 | 2.00 | 3.15 | 0.94 | 1.47 | 2.04 | 1.66 | 2.31 | 1.43 | 2.12 | 0.21 | 0.40 | 0.46 | 0.19 | 0.22 | 0.24 | 0.24 | 0.19 | 0.24 | 0.94 | 0.20 | 0.29 | 0.25 | 0.34 | 0.43 | 0.33 | 0.42 | 0.57 |
| Guanosine | ME548885 | 3.81 | 1.92 | 0.65 | 1.88 | 1.13 | 1.96 | 1.92 | 0.95 | 0.64 | 0.55 | 2.10 | 0.33 | 1.14 | 0.87 | 0.90 | 0.19 | 0.49 | 1.20 | 0.17 | NA | NA | 0.05 | NA | NA | NA | 0.06 | NA | NA | 0.04 | 0.05 | NA | NA | NA | NA | NA | NA |
| N-Formylmethionine | ME548854 | 1.73 | 2.05 | 1.61 | 1.24 | 3.80 | 0.85 | 0.92 | 1.64 | 1.19 | 1.57 | 1.51 | 1.70 | 1.08 | 1.75 | 1.62 | 0.90 | 1.71 | 1.58 | 0.05 | NA | 0.04 | NA | 0.03 | NA | 0.04 | 0.06 | NA | 0.04 | 0.03 | 0.11 | 0.03 | 0.09 | NA | 0.04 | NA | NA |
| Pterin | ME548842 | 1.07 | 1.45 | 0.85 | 0.85 | 2.41 | 1.15 | 1.41 | 0.43 | 0.77 | 1.30 | 2.17 | 1.69 | 1.21 | 1.30 | 1.05 | 2.70 | 1.63 | 0.79 | 0.21 | NA | 0.24 | 0.21 | 0.24 | 0.20 | 0.24 | 0.22 | NA | NA | 0.22 | NA | NA | NA | NA | NA | NA | NA |
| Ophthalmic acid | ME548879 | 0.69 | 2.05 | 0.68 | 0.81 | 1.25 | 1.33 | 1.69 | 1.64 | 1.18 | 1.09 | 1.52 | 0.83 | 1.52 | 0.71 | 1.12 | 1.33 | 1.05 | 1.95 | NA | NA | 0.70 | 0.09 | NA | 0.19 | NA | 0.08 | NA | 0.45 | 0.21 | NA | 0.27 | 0.80 | NA | 2.49 | 0.27 | NA |
| Quinaldic acid | ME548846 | 0.38 | 0.55 | 0.34 | 1.85 | 1.11 | 3.01 | 0.90 | 0.64 | 0.24 | 0.84 | 1.66 | 1.04 | 0.95 | 0.69 | 0.32 | 0.85 | 1.47 | 2.15 | NA | NA | NA | NA | NA | NA | NA | 0.01 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| N-Acetylaspartic acid | ME548851 | 0.60 | 0.81 | 1.64 | 0.79 | 1.80 | 1.11 | 0.87 | 1.22 | 3.07 | 0.72 | 0.85 | 2.63 | 1.91 | 0.97 | 1.16 | 0.82 | 0.47 | 1.18 | NA | 0.20 | 0.17 | NA | 0.23 | NA | NA | NA | 0.18 | NA | NA | NA | NA | 0.41 | NA | 0.19 | NA | NA |
| Indolepyruvate | ME548864 | 1.44 | 2.04 | 0.47 | 0.74 | 0.50 | 0.76 | 2.72 | 2.32 | 0.78 | 0.96 | 0.51 | 0.90 | 2.44 | 2.53 | 0.44 | 0.75 | 1.03 | 0.36 | NA | NA | NA | NA | NA | NA | NA | 0.11 | NA | NA | NA | NA | 0.06 | 0.08 | 0.06 | NA | NA | NA |
| Ureidopropionic acid | ME548817 | 1.70 | 1.28 | 0.52 | 1.28 | 0.49 | 0.70 | 2.49 | 2.32 | 0.68 | 0.67 | 1.59 | 1.02 | 1.68 | 0.86 | 0.41 | 0.30 | 0.47 | 0.41 | NA | NA | NA | NA | NA | NA | NA | 0.16 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Tryptophan | ME548866 | 1.01 | 1.16 | 2.65 | 1.16 | 1.29 | 2.51 | 1.21 | 1.28 | 0.89 | 0.89 | 1.47 | 1.46 | 1.06 | 1.30 | 2.28 | 0.36 | 0.46 | 1.47 | NA | NA | 0.02 | NA | 0.01 | NA | NA | 0.04 | NA | 0.01 | 0.01 | NA | 0.01 | NA | NA | NA | NA | NA |
| N-Acetylasparagine | ME548849 | 0.76 | 1.11 | 0.63 | 2.19 | 1.50 | 0.56 | 0.79 | 1.41 | 1.37 | 0.35 | 1.45 | 1.03 | 0.98 | 0.52 | 1.31 | 0.38 | 1.49 | 1.11 | NA | NA | NA | NA | NA | NA | NA | 0.06 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Xanthosine | ME548878 | 0.77 | 1.35 | 2.27 | 2.24 | 1.33 | 0.87 | 0.98 | 1.51 | 1.11 | 0.28 | 1.42 | 1.34 | 0.74 | 0.66 | 1.10 | 0.49 | 0.71 | 0.69 | NA | NA | NA | NA | NA | NA | NA | 0.08 | NA | 0.05 | NA | NA | NA | NA | NA | NA | NA | NA |
| Ribose | ME548832 | 1.22 | 0.98 | 1.18 | 1.91 | 0.69 | 1.95 | 1.58 | 0.78 | 0.88 | 1.35 | 1.12 | 1.11 | 1.07 | 1.60 | 1.28 | 0.47 | 0.58 | 0.54 | NA | NA | NA | NA | 0.31 | NA | 0.26 | 1.07 | NA | NA | NA | NA | 0.22 | 0.84 | NA | NA | NA | NA |
| 5-Hydroxy-tryptophan | ME548870 | 1.24 | 2.34 | 0.48 | 1.13 | 0.68 | 1.28 | 0.87 | 1.60 | 1.02 | 1.86 | 0.99 | 0.68 | 2.03 | 1.09 | 0.85 | 0.67 | 1.45 | 0.62 | NA | NA | NA | NA | NA | NA | 0.03 | 0.04 | NA | NA | NA | NA | 0.03 | NA | NA | NA | NA | NA |
| trans-Aconitic acid | ME548848 | 0.31 | 0.69 | 0.32 | 0.42 | 0.53 | 1.24 | 1.36 | 0.54 | 1.67 | 1.40 | 0.77 | 1.36 | 1.41 | 1.72 | 1.15 | 1.05 | 1.65 | 0.40 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Arabinose | ME548833 | 1.85 | 1.28 | 1.62 | 0.81 | 0.88 | 1.74 | 0.73 | 1.05 | 1.90 | 1.14 | 1.07 | 1.42 | 1.44 | 1.93 | 0.51 | 1.80 | 0.85 | 0.87 | NA | NA | 0.02 | NA | NA | NA | 0.02 | 0.02 | 0.02 | NA | NA | NA | 0.03 | NA | NA | NA | NA | NA |
| N-Acetylglutamic acid | ME548861 | 1.19 | 1.31 | 1.13 | 0.80 | 1.31 | 2.12 | 1.86 | 0.52 | 1.83 | 0.95 | 1.10 | 1.04 | 1.56 | 2.23 | 0.95 | 1.44 | 1.24 | 1.28 | NA | NA | NA | 0.01 | NA | NA | 0.02 | 0.09 | NA | NA | NA | NA | 0.01 | 0.02 | NA | 0.01 | NA | NA |
| Lactose | ME548883 | 1.27 | 1.26 | 1.48 | 1.31 | 0.92 | 0.71 | 1.68 | 1.59 | 0.66 | 0.42 | 1.34 | 0.48 | 0.31 | 0.89 | 0.98 | 0.41 | 0.33 | 1.97 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine | ME548844 | 0.84 | 1.20 | 1.02 | 0.82 | 1.50 | 1.29 | 1.43 | 1.06 | 1.18 | 1.28 | 0.81 | 1.58 | 0.61 | 1.90 | 1.57 | 1.07 | 1.32 | 1.41 | NA | NA | NA | NA | 0.02 | NA | NA | 0.06 | NA | 0.02 | NA | NA | 0.03 | NA | NA | NA | NA | NA |
| 3^,5^ cyclic GMP | ME548884 | 1.25 | 1.25 | 1.37 | 1.35 | 0.79 | 1.61 | 1.81 | 1.48 | 1.49 | 1.30 | 1.21 | 1.14 | 1.40 | 1.43 | 1.28 | 1.15 | 0.98 | 1.53 | NA | NA | NA | NA | NA | 0.01 | 0.01 | 0.07 | NA | NA | 0.02 | NA | 0.04 | 0.03 | NA | NA | NA | NA |
| 2,3-cAMP | ME548882 | 1.10 | 1.29 | 1.25 | 1.38 | 1.28 | 1.30 | 1.40 | 1.49 | 0.88 | 0.93 | 1.22 | 0.88 | 1.12 | 0.96 | 1.32 | 0.80 | 0.92 | 1.44 | NA | NA | NA | NA | 0.01 | NA | NA | 0.01 | NA | NA | 0.01 | NA | NA | NA | NA | NA | NA | NA |
| N(2)-Acetyllysine | ME548858 | 1.26 | 1.28 | 1.38 | 1.07 | 0.82 | 1.18 | 1.49 | 2.34 | 0.97 | 1.01 | 1.13 | 0.94 | 1.08 | 1.32 | 1.12 | 1.24 | 0.84 | 1.51 | NA | NA | NA | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | NA | 0.00 | NA | NA | NA | NA | NA |
| Cystathionine | ME548871 | 0.64 | 1.29 | 0.68 | 0.63 | 0.88 | 0.75 | 1.16 | 0.73 | 1.18 | 1.01 | 0.97 | 1.03 | 1.11 | 1.47 | 1.04 | 0.71 | 1.24 | 1.47 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Citrulline | ME548853 | 0.69 | 1.22 | 1.13 | 0.97 | 0.95 | 1.04 | 1.45 | 1.33 | 0.95 | 1.09 | 0.97 | 0.75 | 1.04 | 1.16 | 0.82 | 0.97 | 0.68 | 0.78 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Carnosine | ME548872 | 0.91 | 1.14 | 1.02 | 0.81 | 0.60 | 0.87 | 1.55 | 1.38 | 0.93 | 0.80 | 1.01 | 0.75 | 1.36 | 1.21 | 0.93 | 0.74 | 0.84 | 1.16 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lysine | ME548827 | 0.65 | 0.87 | 1.23 | 0.92 | 0.69 | 1.00 | 1.50 | 1.16 | 1.08 | 0.94 | 0.92 | 0.96 | 1.28 | 1.01 | 0.94 | 0.83 | 0.88 | 1.12 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| N-Acetylmethionine | ME548863 | 2.92 | 1.63 | 0.90 | 3.42 | 1.26 | 1.38 | 2.20 | 0.77 | 3.56 | 2.51 | 0.79 | 2.58 | 2.03 | 1.41 | 1.64 | 1.05 | 1.63 | 1.19 | NA | 0.01 | 0.07 | 0.08 | 0.06 | 0.02 | 0.18 | 0.29 | 0.01 | 0.06 | 0.06 | 0.02 | 0.09 | 0.11 | 0.01 | 0.03 | NA | 0.01 |
| Xanthine | ME548835 | 1.60 | 2.13 | 3.04 | 2.02 | 2.08 | 1.03 | 2.86 | 2.83 | 1.24 | 2.46 | 0.61 | 2.81 | 2.23 | 1.18 | 1.70 | 1.95 | 2.63 | 0.55 | 0.02 | 0.01 | 0.14 | 0.04 | 0.02 | 0.02 | 0.07 | 0.22 | 0.02 | 0.03 | 0.14 | 0.03 | 0.09 | 0.09 | 0.02 | 0.05 | 0.01 | 0.01 |
| Hippuric acid | ME548855 | 1.06 | 2.49 | 2.99 | 1.33 | 2.67 | 1.88 | 2.46 | 1.38 | 1.73 | 0.83 | 1.38 | 1.70 | 0.60 | 1.39 | 1.56 | 2.09 | 3.09 | 2.91 | 0.02 | 0.01 | 0.01 | NA | 0.01 | 0.01 | 0.03 | 0.21 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.01 | 0.01 | NA | 0.01 |
| N-Acetylphenylalanine | ME548867 | 0.64 | 3.02 | 1.18 | 1.96 | 2.81 | 1.66 | 1.48 | 1.09 | 2.08 | 1.02 | 2.26 | 2.68 | 1.66 | 0.82 | 1.89 | 2.06 | 2.95 | 2.36 | 0.01 | 0.02 | 0.01 | 0.03 | 0.02 | NA | 0.04 | 0.04 | 0.02 | 0.01 | 0.01 | NA | 0.07 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 |
| N-Acetylglycine | ME548806 | 0.79 | 1.73 | 1.33 | 3.09 | 1.68 | 1.23 | 2.45 | 0.73 | 1.91 | 1.64 | 1.66 | 1.31 | 3.68 | 1.49 | 1.96 | 0.99 | 2.67 | 2.39 | 0.09 | 0.11 | 0.25 | 0.20 | 0.19 | 0.28 | 0.16 | 0.23 | 0.14 | 0.11 | 0.19 | 0.16 | 0.14 | 0.19 | 0.14 | 0.09 | 0.44 | 0.17 |
| Pyroglutamic acid | ME548812 | 2.02 | 1.00 | 2.35 | 2.66 | 1.00 | 1.36 | 2.32 | 3.07 | 2.51 | 1.91 | 2.31 | 1.29 | 2.45 | 0.65 | 2.24 | 2.38 | 1.07 | 2.93 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.09 | 0.00 | 0.02 | 0.05 | 0.04 | 0.11 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 |
| Pantothenic acid | ME548869 | 0.94 | 2.68 | 1.59 | 1.73 | 0.74 | 1.28 | 4.01 | 1.47 | 3.50 | 1.81 | 1.41 | 1.14 | 1.51 | 1.16 | 1.67 | 1.28 | 1.66 | 1.54 | NA | NA | 0.15 | 0.07 | 0.09 | 0.05 | 0.18 | 0.73 | 0.03 | 0.11 | 0.04 | 0.04 | 0.15 | 0.20 | NA | 0.02 | 0.01 | 0.01 |
| Valine | ME548807 | 1.50 | 1.94 | 2.35 | 1.69 | 1.71 | 0.94 | 3.05 | 1.37 | 3.21 | 1.35 | 1.25 | 2.46 | 1.92 | 1.18 | 2.19 | 0.96 | 2.10 | 1.28 | 0.03 | NA | 0.04 | 0.03 | 0.04 | 0.03 | NA | 0.03 | 0.06 | 0.03 | 0.03 | 0.02 | NA | 0.03 | 0.07 | 0.04 | 0.04 | 0.03 |
| Succinic acid | ME548808 | 2.30 | 1.44 | 2.82 | 1.78 | 1.71 | 1.45 | 1.56 | 0.69 | 2.69 | 1.58 | 1.74 | 3.31 | 0.97 | 2.37 | 1.66 | 1.14 | 2.21 | 1.80 | 0.01 | 0.02 | 0.54 | 0.32 | 0.17 | 0.18 | 0.07 | 0.14 | 0.10 | 0.31 | 0.24 | 0.12 | 0.11 | 0.16 | 0.01 | 0.18 | 0.06 | 0.02 |
| N-Formylglycine | ME548802 | 1.72 | 0.94 | 2.31 | 2.00 | 1.42 | 1.90 | 2.04 | 1.61 | 2.48 | 1.98 | 0.79 | 1.94 | 3.33 | 3.05 | 1.27 | 1.44 | 2.43 | 1.94 | 0.07 | 0.12 | 0.13 | 0.10 | 0.05 | 0.07 | 0.08 | 0.09 | 0.05 | 0.06 | 0.05 | 0.05 | 0.11 | 0.11 | 0.06 | 0.05 | 0.13 | 0.05 |
| 4-Hydroxybenzoic acid | ME548823 | 1.66 | 0.88 | 1.66 | 1.48 | 1.79 | 2.78 | 1.82 | 1.02 | 1.44 | 2.52 | 1.01 | 1.20 | 2.69 | 1.42 | 1.17 | 2.76 | 1.45 | 2.22 | 0.35 | 0.33 | 0.27 | 0.55 | 0.35 | 0.27 | 0.29 | 0.23 | 0.22 | 0.27 | 0.24 | 0.23 | 0.22 | 0.36 | 0.34 | 0.21 | 0.14 | 0.16 |
| Alanine | ME548889 | 0.44 | 1.17 | 1.94 | 1.75 | 1.82 | 1.48 | 2.11 | 1.64 | 1.64 | 2.36 | 0.73 | 1.84 | 2.56 | 1.17 | 1.29 | 1.67 | 1.58 | 2.06 | 0.16 | 0.10 | 0.14 | 0.08 | NA | 0.18 | 0.11 | NA | 0.10 | NA | 0.11 | 0.21 | 0.12 | 0.17 | NA | 0.11 | 0.15 | NA |
| 3-Hydroxyphenylacetic acid | ME548836 | 1.60 | 2.96 | 2.05 | 1.83 | 1.21 | 1.50 | 1.32 | 2.19 | 1.34 | 2.47 | 2.39 | 1.02 | 1.30 | 1.67 | 3.16 | 1.34 | 1.70 | 2.96 | 0.08 | 0.16 | 0.09 | 0.09 | 0.08 | 0.08 | 0.35 | 0.09 | 0.09 | 0.09 | 0.09 | 0.11 | 0.09 | 0.12 | 0.11 | 0.12 | 0.07 | 0.08 |
| N-Acetylserine | ME548828 | 2.08 | 1.63 | 1.41 | 1.89 | 1.41 | 0.84 | 1.39 | 0.76 | 1.88 | 2.87 | 1.91 | 1.63 | 1.48 | 1.75 | 2.58 | 0.93 | 2.25 | 1.90 | NA | NA | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 0.06 | NA | 0.03 | 0.05 | 0.02 | 0.02 | 0.02 | NA | 0.02 | NA | 0.02 |
| 2-Aminobenzoic acid | ME548822 | 0.65 | 0.80 | 2.18 | 2.13 | 1.81 | 2.01 | 0.95 | 0.82 | 2.27 | 2.07 | 2.26 | 1.94 | 0.79 | 0.78 | 2.00 | 1.97 | 2.12 | 2.19 | NA | NA | 0.04 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | NA | 0.03 | 0.05 | 0.03 | 0.01 | NA | NA | 0.02 | 0.01 | NA |
| Adipic acid | ME548825 | 1.60 | 1.26 | 1.87 | 1.56 | 1.77 | 1.50 | 1.33 | 1.37 | 1.94 | 1.62 | 1.90 | 2.17 | 1.51 | 1.61 | 1.75 | 1.19 | 2.38 | 0.77 | 0.29 | 0.28 | 0.19 | 0.57 | 0.35 | 0.48 | 0.40 | 0.68 | 0.33 | 0.40 | 0.42 | 0.35 | 0.40 | 0.71 | 0.18 | 0.36 | 0.25 | 0.29 |
| Glutaric acid | ME548816 | 1.12 | 1.29 | 2.12 | 1.93 | 2.00 | 1.89 | 1.37 | 1.64 | 1.42 | 1.45 | 1.95 | 1.35 | 2.03 | 1.68 | 2.23 | 0.61 | 0.97 | 1.96 | 0.12 | 0.18 | 0.62 | 0.64 | 0.82 | 0.18 | 0.15 | 0.46 | 0.37 | 0.43 | 0.22 | 0.19 | 0.45 | 0.34 | 0.38 | 0.84 | 0.25 | 0.36 |
| Histidine | ME548838 | 2.23 | 1.56 | 1.85 | 1.62 | 2.31 | 2.57 | 2.04 | 1.75 | 1.62 | 1.62 | 2.85 | 1.37 | 1.66 | 1.72 | 2.92 | 2.74 | 1.38 | 1.44 | 0.02 | 0.02 | 0.06 | 0.03 | 0.04 | 0.03 | 0.07 | 0.14 | 0.02 | 0.03 | 0.04 | 0.03 | 0.08 | 0.09 | 0.01 | 0.02 | 0.01 | 0.00 |
| Methionine | ME548831 | 1.23 | 1.36 | 2.64 | 2.35 | 0.74 | 0.88 | 1.99 | 1.91 | 2.06 | 2.06 | 1.24 | 2.17 | 0.98 | 1.57 | 1.92 | 1.93 | 2.27 | 1.47 | 0.01 | NA | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.07 | NA | 0.01 | 0.02 | 0.01 | 0.02 | 0.07 | NA | 0.00 | NA | NA |
| Tyrosine | ME548856 | 1.36 | 1.87 | 1.05 | 0.88 | 0.80 | 1.61 | 2.67 | 1.78 | 1.67 | 1.30 | 1.42 | 1.95 | 2.08 | 2.12 | 2.19 | 1.39 | 1.51 | 1.20 | NA | 0.01 | NA | NA | 0.01 | 0.01 | 0.01 | 0.02 | NA | 0.01 | 0.01 | NA | 0.03 | 0.02 | NA | 0.01 | 0.00 | NA |
| N-Acetylleucine | ME548847 | 1.31 | 1.40 | 2.62 | 1.54 | 2.23 | 2.17 | 2.70 | 2.31 | 2.15 | 1.47 | 2.37 | 1.42 | 0.69 | 2.48 | 1.58 | 2.26 | 2.30 | 2.30 | 0.02 | 0.01 | 0.03 | 0.03 | 0.02 | 0.03 | 0.13 | 0.14 | 0.01 | 0.02 | 0.04 | 0.05 | 0.05 | 0.11 | 0.00 | 0.02 | 0.00 | 0.00 |
| Hypoxanthine | ME548821 | 1.94 | 0.69 | 2.24 | 2.14 | 2.14 | 2.18 | 2.23 | 2.12 | 2.03 | 1.88 | 2.20 | 2.16 | 1.26 | 1.77 | 2.06 | 1.83 | 1.87 | 2.50 | 0.01 | 0.01 | 0.02 | 0.04 | 0.03 | 0.03 | 0.09 | 0.17 | 0.03 | 0.03 | 0.05 | 0.03 | 0.09 | 0.10 | 0.02 | 0.02 | 0.02 | 0.01 |
| 3-Hydroxybutyric acid | ME548803 | 1.81 | 1.96 | 2.05 | 1.92 | 1.32 | 2.07 | 2.51 | 1.89 | 2.20 | 1.90 | 2.28 | 2.26 | 1.68 | 1.91 | 1.03 | 1.54 | 2.18 | 1.80 | 0.03 | 0.03 | 0.24 | 0.05 | 0.08 | 0.07 | 0.14 | 0.33 | 0.04 | 0.07 | 0.09 | 0.11 | 0.09 | 0.12 | 0.09 | 0.03 | 0.03 | 0.10 |
| Uracil | ME548804 | 1.93 | 1.93 | 2.17 | 2.19 | 2.07 | 2.14 | 2.09 | 2.05 | 2.01 | 1.84 | 1.82 | 1.63 | 1.64 | 1.73 | 1.92 | 1.57 | 1.73 | 2.14 | 0.06 | 0.03 | 0.03 | 0.03 | 0.03 | 0.05 | 0.13 | 0.25 | 0.06 | 0.04 | 0.04 | 0.07 | 0.14 | 0.18 | 0.11 | 0.09 | 0.04 | 0.03 |
| Glutamic acid | ME548829 | 1.61 | 1.66 | 1.83 | 1.69 | 1.62 | 1.81 | 2.41 | 2.07 | 2.14 | 1.99 | 1.93 | 2.02 | 2.08 | 2.00 | 1.91 | 1.91 | 2.08 | 2.09 | 0.02 | 0.01 | 0.06 | 0.04 | 0.05 | 0.03 | 0.10 | 0.21 | 0.02 | 0.03 | 0.04 | 0.04 | 0.14 | 0.23 | 0.01 | 0.09 | 0.01 | 0.01 |
| 2-Hydroxybenzaldehyde | ME548810 | 1.72 | 1.82 | 2.12 | 1.84 | 1.61 | 1.93 | 2.66 | 2.15 | 1.98 | 1.81 | 2.13 | 1.91 | 2.21 | 2.07 | 1.88 | 1.63 | 1.85 | 2.14 | 0.01 | 0.01 | 0.06 | 0.02 | 0.02 | 0.03 | 0.06 | 0.12 | 0.01 | 0.02 | 0.03 | 0.03 | 0.05 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 |
| Arginine | ME548850 | 1.86 | 1.86 | 2.11 | 1.99 | 1.89 | 2.03 | 2.24 | 1.98 | 1.98 | 1.92 | 1.95 | 1.99 | 2.04 | 1.96 | 1.94 | 1.83 | 2.01 | 2.07 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.07 | 0.01 | 0.01 | 0.03 | 0.02 | 0.05 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 |
| Indoleacetic acid | ME548852 | 1.40 | 1.47 | 1.82 | 1.78 | 1.87 | 1.70 | 1.67 | 0.97 | 1.89 | 1.84 | 1.77 | 1.87 | 1.54 | 1.54 | 1.83 | 1.97 | 2.06 | 1.65 | NA | NA | 0.07 | 0.02 | 0.01 | 0.02 | 0.02 | 0.07 | 0.01 | 0.02 | 0.04 | 0.04 | 0.02 | 0.03 | NA | 0.01 | NA | NA |
| Glutamine | ME548826 | 1.56 | 1.68 | 1.73 | 1.49 | 1.20 | 1.59 | 2.30 | 2.02 | 1.52 | 1.43 | 1.71 | 1.44 | 2.11 | 1.85 | 1.70 | 1.41 | 1.40 | 1.73 | 0.00 | NA | 0.00 | NA | 0.01 | 0.00 | 0.00 | 0.02 | NA | 0.01 | NA | 0.01 | 0.01 | 0.03 | 0.00 | 0.02 | NA | NA |
| Ornithine | ME548818 | 1.48 | 1.49 | 1.68 | 1.67 | 1.58 | 1.71 | 1.94 | 1.71 | 1.74 | 1.57 | 1.59 | 1.68 | 1.71 | 1.68 | 1.71 | 1.47 | 1.74 | 1.73 | NA | 0.00 | 0.01 | 0.00 | NA | 0.01 | 0.01 | 0.05 | NA | 0.00 | 0.01 | 0.00 | 0.03 | 0.01 | NA | 0.00 | NA | NA |
| Glutathione | ME548880 | 0.16 | 0.30 | NA | NA | NA | NA | 0.44 | 0.25 | 0.06 | 0.07 | NA | 0.04 | 0.40 | 0.57 | 0.08 | 0.02 | 0.03 | NA | 0.10 | NA | 2.34 | 1.05 | 0.70 | 0.36 | 3.29 | 5.70 | 0.17 | 0.65 | 0.59 | 0.52 | 2.71 | 5.81 | NA | 0.58 | NA | 0.02 |
| Inosine | ME548877 | NA | NA | NA | NA | NA | 0.07 | 0.06 | NA | NA | 0.08 | NA | NA | NA | NA | 0.06 | NA | 0.10 | NA | 2.91 | NA | 1.16 | 1.14 | 0.54 | 0.70 | 1.33 | 4.78 | 0.07 | 1.03 | 0.99 | 0.68 | 2.21 | 2.20 | 0.15 | 0.86 | 0.53 | 0.34 |
| Adenine | ME548820 | 0.51 | 0.20 | 1.14 | 1.09 | 0.76 | 0.48 | 1.28 | 0.45 | 0.86 | 1.16 | 1.23 | 2.46 | 1.22 | 2.44 | 0.28 | 0.70 | 1.08 | 0.77 | 0.65 | 1.08 | 0.37 | 0.42 | 0.32 | 0.28 | 0.43 | 1.78 | 0.21 | 0.28 | 1.27 | 0.41 | 0.49 | 5.38 | 1.15 | 1.70 | 1.09 | 0.59 |
| 10-Hydroxydecanoic acid | ME548859 | NA | 1.21 | 0.54 | NA | 0.84 | 0.54 | NA | NA | NA | 1.07 | NA | 0.98 | 0.67 | NA | 0.91 | 1.52 | NA | 0.72 | 0.43 | NA | 0.51 | 0.74 | 3.41 | 1.45 | 0.44 | 0.43 | 0.35 | 0.41 | 0.71 | 1.30 | 1.28 | 0.33 | 2.09 | 1.57 | 0.95 | 1.60 |
| D-Fucose | ME548843 | 0.18 | NA | NA | NA | 0.12 | 0.16 | NA | NA | 0.14 | NA | NA | 0.14 | NA | 0.18 | NA | NA | NA | 0.13 | 0.47 | 0.62 | 1.47 | 1.18 | 0.92 | 1.05 | 1.31 | 0.75 | 1.60 | 0.48 | 2.15 | 0.83 | 0.87 | 2.05 | 0.93 | 2.43 | 2.89 | 1.97 |
Factors:
| F1 | sample_site:Intra | strain:GP61 | biologial_rep:1 | technical_rep:1 |
| F2 | sample_site:Intra | strain:GP61 | biologial_rep:1 | technical_rep:2 |
| F3 | sample_site:Intra | strain:GP61 | biologial_rep:4 | technical_rep:1 |
| F4 | sample_site:Intra | strain:GP61 | biologial_rep:4 | technical_rep:2 |
| F5 | sample_site:Intra | strain:GP61 | biologial_rep:4 | technical_rep:3 |
| F6 | sample_site:Intra | strain:GP61 | biologial_rep:4 | technical_rep:4 |
| F7 | sample_site:Intra | strain:KO | biologial_rep:1 | technical_rep:1 |
| F8 | sample_site:Intra | strain:KO | biologial_rep:1 | technical_rep:2 |
| F9 | sample_site:Intra | strain:KO | biologial_rep:4 | technical_rep:1 |
| F10 | sample_site:Intra | strain:KO | biologial_rep:4 | technical_rep:2 |
| F11 | sample_site:Intra | strain:KO | biologial_rep:4 | technical_rep:3 |
| F12 | sample_site:Intra | strain:KO | biologial_rep:4 | technical_rep:4 |
| F13 | sample_site:Intra | strain:WT | biologial_rep:1 | technical_rep:1 |
| F14 | sample_site:Intra | strain:WT | biologial_rep:1 | technical_rep:2 |
| F15 | sample_site:Intra | strain:WT | biologial_rep:4 | technical_rep:1 |
| F16 | sample_site:Intra | strain:WT | biologial_rep:4 | technical_rep:2 |
| F17 | sample_site:Intra | strain:WT | biologial_rep:4 | technical_rep:3 |
| F18 | sample_site:Intra | strain:WT | biologial_rep:4 | technical_rep:4 |
| F19 | sample_site:SN | strain:GP61 | biologial_rep:1 | technical_rep:1 |
| F20 | sample_site:SN | strain:GP61 | biologial_rep:1 | technical_rep:2 |
| F21 | sample_site:SN | strain:GP61 | biologial_rep:4 | technical_rep:1 |
| F22 | sample_site:SN | strain:GP61 | biologial_rep:4 | technical_rep:2 |
| F23 | sample_site:SN | strain:GP61 | biologial_rep:4 | technical_rep:3 |
| F24 | sample_site:SN | strain:GP61 | biologial_rep:4 | technical_rep:4 |
| F25 | sample_site:SN | strain:KO | biologial_rep:1 | technical_rep:1 |
| F26 | sample_site:SN | strain:KO | biologial_rep:1 | technical_rep:2 |
| F27 | sample_site:SN | strain:KO | biologial_rep:4 | technical_rep:1 |
| F28 | sample_site:SN | strain:KO | biologial_rep:4 | technical_rep:2 |
| F29 | sample_site:SN | strain:KO | biologial_rep:4 | technical_rep:3 |
| F30 | sample_site:SN | strain:KO | biologial_rep:4 | technical_rep:4 |
| F31 | sample_site:SN | strain:WT | biologial_rep:1 | technical_rep:1 |
| F32 | sample_site:SN | strain:WT | biologial_rep:1 | technical_rep:2 |
| F33 | sample_site:SN | strain:WT | biologial_rep:4 | technical_rep:1 |
| F34 | sample_site:SN | strain:WT | biologial_rep:4 | technical_rep:2 |
| F35 | sample_site:SN | strain:WT | biologial_rep:4 | technical_rep:3 |
| F36 | sample_site:SN | strain:WT | biologial_rep:4 | technical_rep:4 |