Clustering data with hclust algorithm for (Study ST004239)
(Analysis AN007056)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| creatinine | ME1147896 | 0.02 | 0.02 | 0.03 | 0.04 | 0.01 | 0.01 | 0.18 | 0.21 | 0.15 | 0.20 | 0.19 | 0.19 | 5.02 | 7.25 | 1.17 | 3.90 | 1.99 | 1.00 |
| anserine | ME1147850 | NA | 0.18 | NA | 0.14 | NA | NA | NA | 8.04 | NA | NA | NA | 0.33 | 0.70 | 0.88 | 0.68 | 0.95 | 0.63 | 0.83 |
| cotinine | ME1147894 | 0.77 | 0.72 | 0.55 | 0.90 | 0.61 | 1.11 | 0.67 | 0.74 | 6.21 | 0.47 | 0.94 | 0.34 | 0.87 | 1.52 | 0.74 | 0.97 | 0.70 | NA |
| homocysteine | ME1147912 | 0.59 | 0.96 | 2.41 | NA | 2.45 | 3.24 | 1.35 | NA | 0.38 | 0.18 | 0.30 | 0.74 | NA | NA | NA | NA | NA | NA |
| thymidine | ME1147948 | 0.87 | 0.53 | 2.73 | 0.58 | 0.98 | 0.78 | 1.54 | 1.08 | 0.72 | 0.67 | 1.30 | 0.60 | NA | NA | NA | NA | NA | NA |
| histamine | ME1147910 | 0.72 | 0.76 | 0.49 | 1.10 | 0.44 | 0.64 | 0.89 | 3.61 | 0.58 | 0.68 | 0.73 | 0.75 | 1.63 | 1.27 | 0.39 | 0.60 | 0.94 | 0.55 |
| anthranilic acid | ME1147851 | 1.34 | 2.62 | NA | NA | 0.75 | 0.86 | 1.16 | 0.93 | 1.19 | 0.18 | 1.17 | 1.18 | 0.28 | 0.73 | NA | 0.38 | 0.44 | 1.03 |
| proline[13]C1[15]N1 | ME1147936 | 0.40 | NA | 0.90 | 0.32 | 0.64 | 0.77 | 1.38 | NA | 2.90 | 1.88 | 2.16 | 2.19 | 0.13 | 0.02 | 0.51 | 0.24 | 0.37 | 0.41 |
| phenylalanine-d8 | ME1147831 | 1.09 | 1.07 | 1.19 | 1.03 | 1.02 | 1.18 | 0.94 | 0.93 | 1.12 | 0.96 | 1.05 | 1.12 | 0.80 | 0.92 | 0.94 | 0.81 | 0.88 | 0.84 |
| valine-d8 | ME1147832 | 1.04 | 1.00 | 1.08 | 0.97 | 0.98 | 1.10 | 0.97 | 0.97 | 1.07 | 0.99 | 1.03 | 1.10 | 0.90 | 0.97 | 0.96 | 0.89 | 0.91 | 0.92 |
| alpha-glycerophosphocholine | ME1147849 | 0.97 | 0.92 | 0.64 | 0.84 | 0.60 | 0.49 | 1.48 | 1.51 | 1.00 | 1.16 | 1.01 | 0.87 | 0.79 | 1.05 | 0.88 | 1.02 | 0.96 | 0.81 |
| C20 carnitine | ME1147884 | 0.65 | 0.60 | 0.73 | 0.68 | 0.64 | 0.57 | 1.06 | 1.05 | 0.96 | 0.98 | 1.03 | 1.06 | 1.17 | 1.44 | 1.45 | 1.28 | 1.28 | 1.03 |
| C18 carnitine | ME1147881 | 0.72 | 0.73 | 0.44 | 0.68 | 0.55 | 0.53 | 1.17 | 1.25 | 0.81 | 1.09 | 1.09 | 0.94 | 0.84 | 0.83 | 2.44 | 0.93 | 1.07 | 1.55 |
| 5-aminolevulinic acid | ME1147842 | 0.11 | 0.21 | 0.10 | 0.09 | 0.15 | 0.16 | 1.29 | 1.30 | 1.19 | 1.24 | 1.32 | 1.31 | 0.80 | 0.94 | 2.06 | 0.93 | 1.76 | 1.40 |
| trans-hydroxyproline | ME1147949 | 0.11 | 0.21 | 0.10 | 0.09 | 0.15 | 0.16 | 1.29 | 1.30 | 1.19 | 1.25 | 1.32 | 1.31 | 0.80 | 0.94 | 2.06 | 0.93 | 1.76 | 1.40 |
| choline | ME1147889 | 0.79 | 0.22 | 0.26 | 0.57 | 0.29 | 0.10 | 2.23 | 1.39 | 0.80 | 1.94 | 1.48 | 0.71 | 0.74 | 0.73 | 0.90 | 0.80 | 0.75 | 0.75 |
| threonine | ME1147947 | 0.29 | 0.44 | 0.44 | 0.42 | 0.48 | 0.31 | 1.38 | 1.42 | 1.01 | 1.19 | 1.28 | 1.24 | 1.05 | 1.14 | 0.83 | 1.02 | 0.87 | 0.74 |
| valine | ME1147956 | 0.32 | 0.43 | 0.29 | 0.31 | 0.37 | 0.34 | 1.38 | 1.67 | 0.95 | 1.22 | 1.43 | 1.42 | 0.94 | 1.49 | 0.80 | 0.91 | 0.89 | 0.77 |
| serine | ME1147943 | 0.28 | 0.30 | 0.45 | 0.41 | 0.18 | 0.25 | 1.38 | 1.48 | 0.93 | 1.29 | 1.34 | 1.21 | 1.17 | 1.07 | 1.21 | 1.15 | 1.18 | 1.06 |
| leucine | ME1147915 | 0.38 | 0.54 | 0.28 | 0.37 | 0.42 | 0.37 | 1.09 | 1.36 | 0.88 | 0.97 | 1.25 | 1.17 | 1.40 | 1.53 | 1.25 | 1.43 | 1.39 | 1.20 |
| phenylalanine | ME1147927 | 0.35 | 0.52 | 0.29 | 0.35 | 0.40 | 0.35 | 1.18 | 1.51 | 0.95 | 1.03 | 1.35 | 1.30 | 1.14 | 1.53 | 1.08 | 1.13 | 1.24 | 0.98 |
| trans-hydroxyproline[13]C1[15]N1 | ME1147951 | 0.58 | NA | 0.28 | 0.54 | 0.39 | 0.45 | 1.53 | 1.48 | 0.94 | 1.16 | 1.39 | 1.16 | 0.72 | 0.77 | 1.24 | 0.93 | 0.79 | 0.88 |
| methionine sulfoxide | ME1147918 | 0.17 | 0.17 | 0.35 | 0.19 | 0.07 | 0.11 | 1.43 | 1.68 | 1.03 | 1.16 | 1.30 | 1.29 | 1.00 | 0.90 | 1.08 | 0.86 | 0.89 | 0.84 |
| asparagine | ME1147857 | 0.15 | 0.20 | 0.10 | 0.14 | 0.15 | 0.14 | 1.55 | 1.55 | 1.32 | 1.38 | 1.57 | 1.50 | 0.74 | 0.78 | 1.27 | 0.78 | 0.89 | 0.92 |
| trans-hydroxyproline[15]N | ME1147950 | 0.15 | 0.20 | 0.10 | 0.14 | 0.15 | 0.14 | 1.55 | 1.55 | 1.32 | 1.38 | 1.57 | 1.50 | 0.74 | 0.77 | 1.27 | 0.78 | 0.89 | 0.92 |
| proline | ME1147934 | 0.18 | 0.35 | 0.17 | 0.16 | 0.18 | 0.20 | 1.39 | 1.74 | 1.19 | 1.15 | 1.20 | 1.28 | 1.69 | 2.39 | 0.27 | 1.39 | 0.81 | 0.29 |
| alanine | ME1147847 | 0.17 | 0.20 | 0.17 | 0.19 | 0.17 | 0.16 | 1.53 | 1.56 | 1.21 | 1.34 | 1.53 | 1.59 | 1.24 | 1.69 | 0.27 | 1.12 | 0.80 | 0.30 |
| tyrosine | ME1147955 | 0.17 | 0.24 | 0.15 | 0.18 | 0.17 | 0.16 | 1.41 | 1.69 | 1.10 | 1.11 | 1.37 | 1.33 | 1.20 | 2.19 | 0.88 | 1.05 | 0.89 | 0.72 |
| 5-hydroxytryptophan | ME1147843 | NA | NA | NA | NA | NA | NA | 1.20 | 1.56 | 0.91 | 0.77 | 1.60 | 1.55 | 0.85 | 1.36 | 0.49 | 0.73 | 0.55 | 0.55 |
| glutamine[15]N | ME1147906 | NA | 0.31 | NA | NA | NA | NA | 1.39 | 1.58 | 0.88 | 1.28 | 1.25 | 1.05 | 0.75 | 0.87 | 0.19 | 0.74 | 0.79 | 0.25 |
| glutamine | ME1147905 | 0.05 | 0.31 | 0.04 | 0.04 | 0.04 | 0.03 | 1.76 | 2.01 | 1.13 | 1.63 | 1.59 | 1.33 | 0.95 | 1.13 | 0.25 | 0.95 | 0.97 | 0.34 |
| pyroglutamic acid | ME1147939 | 0.04 | 0.32 | 0.04 | 0.04 | 0.03 | 0.03 | 1.76 | 2.02 | 1.12 | 1.63 | 1.59 | 1.32 | 0.97 | 1.14 | 0.24 | 0.96 | 0.99 | 0.34 |
| 5-adenosylhomocysteine | ME1147841 | 0.89 | 1.02 | 1.09 | 0.75 | 1.16 | 1.56 | 1.05 | 0.94 | 0.83 | 0.88 | 1.11 | 1.12 | NA | NA | NA | NA | 0.02 | NA |
| carnosine | ME1147888 | 1.44 | 1.86 | 0.77 | 1.30 | 1.24 | 1.26 | 1.16 | 1.35 | 0.46 | 1.03 | 1.12 | 0.84 | 0.09 | 0.13 | 0.07 | 0.15 | 0.08 | 0.07 |
| niacinamide | ME1147921 | 1.27 | 0.95 | 1.10 | 1.14 | 0.82 | 0.91 | 1.29 | 1.28 | 1.66 | 1.16 | 1.40 | 1.50 | 0.21 | 0.26 | 0.18 | 0.22 | 0.23 | 0.14 |
| pipecolic acid | ME1147930 | 0.77 | 0.79 | 0.87 | 0.53 | 0.68 | 0.85 | 1.57 | 1.69 | 1.32 | 1.38 | 1.45 | 1.74 | 0.04 | 0.05 | 0.02 | 0.04 | 0.03 | 0.02 |
| putrescine | ME1147938 | 1.18 | 1.20 | 0.64 | 1.03 | 0.98 | 0.80 | 1.63 | 1.67 | 1.31 | 1.53 | 1.54 | 1.38 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 |
| s-adenosylmethionine | ME1147940 | 0.80 | 1.04 | 0.65 | 0.74 | 1.00 | 1.09 | 1.77 | 1.47 | 1.09 | 1.36 | 1.81 | 1.49 | 0.14 | 0.15 | 0.12 | 0.12 | 0.12 | 0.08 |
| adenosine | ME1147845 | 0.98 | 0.97 | 0.84 | 0.98 | 0.91 | 1.05 | 1.27 | 1.33 | 1.15 | 1.51 | 1.60 | 1.57 | 0.29 | 0.27 | 0.20 | 0.22 | 0.26 | 0.15 |
| spermidine | ME1147944 | 0.90 | 0.97 | 0.92 | 0.88 | 0.91 | 0.99 | 1.50 | 1.45 | 1.47 | 1.43 | 1.49 | 1.50 | 0.14 | 0.21 | 0.08 | 0.13 | 0.11 | 0.08 |
| GABA | ME1147899 | 0.68 | 0.81 | 0.44 | 0.53 | 0.46 | 0.54 | 1.28 | 1.37 | 2.28 | 1.46 | 1.57 | 2.29 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| phosphocholine | ME1147928 | 0.55 | 0.44 | 0.73 | 0.55 | 0.88 | 0.82 | 1.45 | 1.13 | 1.84 | 1.43 | 2.23 | 1.92 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 |
| glutamate[15]N | ME1147902 | 0.59 | 0.81 | NA | 0.45 | 0.45 | NA | 0.90 | 1.28 | 1.08 | 0.91 | 1.19 | 1.08 | NA | NA | NA | NA | NA | NA |
| phosphoethanolamine | ME1147929 | 0.33 | 0.34 | 1.02 | 0.31 | 0.46 | 0.82 | 0.90 | 0.81 | 2.24 | 0.78 | 1.21 | 1.91 | 0.02 | 0.05 | NA | NA | NA | NA |
| cAMP | ME1147887 | 0.51 | 0.43 | 0.98 | 0.33 | NA | 0.57 | 1.21 | 0.90 | 1.13 | 0.72 | 1.37 | 1.49 | NA | NA | NA | NA | NA | NA |
| 2-deoxycytidine | ME1147840 | 0.42 | 0.63 | 0.91 | 0.38 | 0.65 | 0.85 | 0.86 | 1.42 | 1.29 | 0.96 | 1.20 | 1.35 | NA | NA | NA | NA | NA | NA |
| cytosine | ME1147897 | 0.49 | 0.70 | 0.89 | 0.42 | 0.70 | 0.87 | 0.87 | 1.42 | 1.29 | 0.91 | 1.19 | 1.30 | NA | NA | NA | NA | NA | NA |
| SDMA | ME1147942 | 0.82 | 0.76 | 0.62 | 0.70 | 0.74 | 0.77 | 1.57 | 1.56 | 1.12 | 1.46 | 1.46 | 1.31 | 0.52 | 1.40 | 0.06 | 0.39 | 0.19 | 0.08 |
| thiamine | ME1147946 | 0.11 | 0.09 | 0.10 | 0.12 | 0.18 | 0.15 | 1.81 | 1.59 | 1.42 | 1.70 | 2.31 | 2.39 | 0.04 | 0.02 | 0.40 | 0.05 | 0.09 | 0.22 |
| NMMA | ME1147922 | 0.35 | 0.30 | 0.29 | 0.24 | 0.28 | 0.37 | 1.89 | 1.77 | 1.09 | 1.49 | 2.01 | 2.16 | 0.30 | 0.39 | 0.07 | 0.23 | 0.24 | 0.10 |
| ADMA | ME1147846 | 0.63 | 0.56 | 0.49 | 0.53 | 0.60 | 0.69 | 1.93 | 1.79 | 1.17 | 1.62 | 1.80 | 1.66 | 0.13 | 0.20 | 0.03 | 0.09 | 0.08 | 0.03 |
| methylthioadenosine | ME1147919 | 0.53 | 0.44 | 0.29 | 0.48 | 0.63 | 0.59 | 1.75 | 1.66 | 1.06 | 1.66 | 2.08 | 1.86 | 0.20 | 0.22 | 0.12 | 0.15 | 0.08 | 0.10 |
| arginine | ME1147852 | 0.39 | 1.19 | 0.22 | 0.28 | 0.24 | 0.24 | 1.62 | 2.22 | 1.73 | 1.45 | 1.55 | 1.59 | 0.14 | 0.76 | 0.03 | 0.07 | 0.09 | 0.04 |
| glutamate | ME1147901 | 0.62 | 1.08 | 0.20 | 0.41 | 0.42 | 0.33 | 1.60 | 2.03 | 1.38 | 1.52 | 1.77 | 1.59 | 0.15 | 0.13 | 0.29 | 0.17 | 0.19 | 0.25 |
| histidine | ME1147911 | 0.27 | 0.43 | 0.34 | 0.23 | 0.24 | 0.38 | 1.61 | 1.35 | 1.56 | 1.35 | 1.81 | 1.89 | 0.46 | 0.51 | 0.51 | 0.49 | 0.55 | 0.43 |
| lysine | ME1147916 | 0.33 | 0.31 | 0.25 | 0.23 | 0.27 | 0.33 | 1.77 | 1.59 | 1.62 | 1.28 | 1.62 | 2.15 | 0.31 | 0.41 | 0.47 | 0.31 | 0.36 | 0.35 |
| arginine[15]N | ME1147853 | 0.50 | 0.91 | 0.42 | 0.38 | 0.38 | 0.41 | 1.46 | 1.75 | 1.66 | 1.32 | 1.41 | 1.54 | 0.38 | 0.57 | 0.49 | 0.38 | 0.46 | 0.43 |
| aspartate | ME1147858 | 0.61 | 0.72 | 0.39 | 0.48 | 0.55 | 0.54 | 1.51 | 1.67 | 1.21 | 1.35 | 1.48 | 1.46 | 0.48 | 0.62 | 0.61 | 0.56 | 0.56 | 0.52 |
| proline[15]N | ME1147935 | 0.13 | 0.01 | 0.09 | 0.11 | 0.11 | 0.12 | 0.41 | 0.02 | 1.00 | 0.56 | 0.83 | 1.03 | 1.32 | 0.08 | 4.73 | 2.32 | 3.46 | 3.82 |
| glutamine[13]C5 | ME1147908 | 0.51 | 0.03 | 0.34 | 0.51 | 0.46 | 0.50 | 0.56 | 0.01 | 1.97 | 0.57 | 1.04 | 1.63 | 0.50 | 0.24 | 3.87 | 0.77 | 1.66 | 2.46 |
| ornithine[13]C1[15]N1 | ME1147925 | 0.03 | 0.03 | 0.08 | 0.02 | 0.04 | 0.07 | 0.36 | 0.01 | 1.79 | 0.54 | 0.98 | 1.48 | 0.95 | 0.07 | 4.35 | 1.59 | 2.32 | 2.87 |
| butyrobetaine | ME1147861 | NA | NA | NA | NA | NA | NA | 0.73 | 0.71 | 0.82 | 0.75 | 0.76 | 0.84 | 1.15 | 2.66 | NA | 0.95 | 1.53 | NA |
| ornithine | ME1147923 | 0.07 | 0.13 | 0.11 | 0.08 | 0.05 | 0.08 | 1.22 | 1.53 | 1.61 | 1.03 | 1.02 | 1.17 | 1.69 | 4.65 | 0.15 | 1.07 | 0.58 | 0.18 |
| allantoin | ME1147848 | 0.64 | NA | 0.10 | 0.22 | NA | 0.13 | 0.49 | 0.22 | 0.05 | 0.11 | 0.12 | 0.09 | 2.96 | 4.60 | 0.24 | 2.12 | 1.13 | 0.31 |
| glucose | ME1147900 | NA | 2.02 | 0.30 | 0.71 | 0.13 | NA | NA | 0.36 | 0.35 | 0.42 | 0.45 | 0.46 | 2.12 | 3.41 | 0.58 | 1.11 | 0.62 | 0.25 |
| C16 carnitine | ME1147880 | 0.20 | 0.19 | 0.08 | 0.20 | 0.14 | 0.12 | 0.56 | 0.56 | 0.26 | 0.54 | 0.50 | 0.39 | 2.37 | 2.28 | 4.42 | 2.44 | 2.62 | 3.30 |
| C3 carnitine | ME1147864 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.38 | 0.47 | 0.47 | 0.36 | 0.45 | 0.56 | 3.41 | 2.99 | 2.74 | 3.26 | 2.92 | 2.52 |
| taurine | ME1147945 | 0.05 | 0.05 | 0.09 | 0.10 | 0.03 | 0.03 | 0.29 | 0.30 | 0.17 | 0.23 | 0.23 | 0.24 | 3.59 | 3.93 | 2.86 | 3.78 | 3.32 | 2.65 |
| C18:2 carnitine | ME1147883 | 0.08 | 0.05 | NA | 0.05 | 0.04 | 0.04 | 0.36 | 0.36 | 0.16 | 0.32 | 0.31 | 0.23 | 3.44 | 3.63 | 2.66 | 3.41 | 3.19 | 2.63 |
| carnitine | ME1147862 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.47 | 0.46 | 0.33 | 0.41 | 0.43 | 0.39 | 3.70 | 3.39 | 2.65 | 3.63 | 3.05 | 2.53 |
| arginine[13]C1[15]N1 | ME1147854 | 0.87 | 0.05 | 1.13 | 0.70 | 0.88 | 1.00 | 0.84 | 0.02 | 1.34 | 0.91 | 1.07 | 1.23 | 1.23 | 0.17 | 2.08 | 1.45 | 1.76 | 1.82 |
| 1-pyrroline-5-carboxylate[13]C5 | ME1147839 | NA | NA | NA | NA | NA | NA | 0.26 | NA | 0.86 | 0.36 | 0.58 | 0.84 | 0.50 | NA | 2.12 | 1.01 | 1.50 | 1.73 |
| C10 carnitine | ME1147873 | NA | NA | 0.11 | NA | NA | NA | 0.32 | 0.64 | NA | NA | NA | NA | 1.29 | 1.04 | 0.88 | 1.07 | 1.21 | 1.15 |
| C14:2 carnitine | ME1147879 | NA | NA | NA | NA | NA | NA | 0.25 | 0.20 | NA | NA | 0.28 | NA | 1.18 | 1.14 | 0.71 | 1.54 | 1.65 | 1.06 |
| C20:4 carnitine | ME1147885 | 0.10 | NA | NA | 0.06 | NA | NA | 0.35 | 0.34 | 0.09 | 0.31 | 0.38 | 0.17 | 2.36 | 2.20 | 2.10 | 2.52 | 2.45 | 2.20 |
| betaine | ME1147860 | 0.07 | 0.08 | 0.08 | 0.07 | 0.08 | 0.08 | 0.67 | 0.67 | 0.55 | 0.63 | 0.67 | 0.66 | 2.69 | 2.80 | 2.67 | 2.79 | 2.57 | 2.30 |
| C2 carnitine | ME1147863 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.82 | 0.78 | 0.64 | 0.72 | 0.78 | 0.74 | 2.77 | 2.50 | 2.62 | 2.68 | 2.23 | 2.18 |
| creatine | ME1147895 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.74 | 0.76 | 0.66 | 0.73 | 0.75 | 0.74 | 2.58 | 2.61 | 2.51 | 2.64 | 2.65 | 2.18 |
| sarcosine | ME1147941 | 0.02 | 0.04 | 0.03 | 0.04 | 0.02 | 0.03 | 0.69 | 0.70 | 0.63 | 0.68 | 0.71 | 0.72 | 2.49 | 2.53 | 2.27 | 2.55 | 2.45 | 1.98 |
| C14 carnitine | ME1147877 | 0.09 | 0.08 | 0.11 | 0.11 | 0.13 | 0.10 | 0.70 | 0.69 | 0.35 | 0.64 | 0.65 | 0.51 | 2.01 | 1.98 | 3.08 | 2.09 | 2.26 | 2.79 |
| C18:1 carnitine | ME1147882 | 0.31 | 0.29 | 0.15 | 0.31 | 0.22 | 0.21 | 0.71 | 0.72 | 0.40 | 0.67 | 0.67 | 0.53 | 2.38 | 2.35 | 3.07 | 2.43 | 2.38 | 2.51 |
| C14:1 carnitine | ME1147878 | NA | NA | NA | NA | NA | NA | 0.73 | 0.52 | 0.30 | 0.55 | 0.60 | 0.45 | 1.59 | 1.27 | 1.91 | 1.86 | 2.36 | 2.37 |
| C6 carnitine | ME1147870 | NA | NA | NA | NA | NA | NA | 0.61 | 0.53 | 0.41 | 0.61 | 0.60 | 0.50 | 1.25 | 0.88 | 2.59 | 1.54 | 2.46 | 2.76 |
| C12 carnitine | ME1147875 | NA | NA | NA | NA | NA | NA | 0.53 | 0.33 | 0.29 | 0.51 | 0.49 | 0.33 | 1.15 | 1.00 | 1.68 | 1.39 | 1.72 | 1.64 |
| ornithine[15]N | ME1147924 | NA | NA | NA | NA | NA | NA | 0.61 | 0.52 | 0.78 | 0.58 | 0.60 | 0.64 | 0.93 | 1.79 | 2.03 | 0.99 | 1.11 | 1.30 |
| 1-pyrroline-5-carboxylate | ME1147836 | NA | NA | NA | NA | NA | NA | 0.89 | 0.92 | 0.98 | 0.72 | 0.98 | 0.86 | 0.77 | 1.23 | 1.50 | 1.01 | 1.64 | 1.18 |
| C4-OH carnitine | ME1147867 | NA | NA | NA | NA | NA | NA | 0.93 | 0.88 | 0.72 | 0.83 | 0.87 | 0.81 | 1.40 | 1.34 | 1.50 | 1.39 | 1.15 | 1.14 |
| C5:1 carnitine | ME1147869 | NA | NA | NA | NA | NA | NA | 0.77 | 0.73 | 0.71 | 0.73 | 0.74 | 0.72 | 1.56 | 1.57 | 1.52 | 1.53 | 1.54 | 1.48 |
| beta-alanine | ME1147859 | 0.11 | 0.13 | NA | 0.14 | 0.05 | 0.17 | 0.83 | 0.86 | 0.48 | 0.97 | 0.99 | 1.49 | 1.71 | 2.07 | 1.11 | 1.67 | 1.56 | 1.12 |
| 1-pyrroline-5-carboxylase[15]N | ME1147837 | NA | NA | NA | NA | NA | NA | 0.35 | 0.52 | 0.53 | 0.56 | 0.61 | 0.60 | 1.72 | 1.93 | 2.01 | 2.06 | 1.89 | 1.58 |
| C4 carnitine | ME1147866 | NA | NA | NA | NA | NA | NA | 0.61 | 0.57 | 0.43 | 0.59 | 0.61 | 0.52 | 2.00 | 1.75 | 1.96 | 2.02 | 1.85 | 1.75 |
| C5 carnitine | ME1147868 | NA | NA | NA | NA | NA | NA | 0.68 | 0.63 | 0.54 | 0.63 | 0.65 | 0.60 | 1.89 | 1.66 | 1.77 | 1.82 | 1.79 | 1.61 |
| isoleucine | ME1147913 | 0.19 | 0.22 | 0.17 | 0.18 | 0.17 | 0.17 | 0.82 | 0.82 | 0.90 | 0.70 | 0.92 | 0.94 | 2.25 | 1.84 | 2.12 | 2.32 | 2.28 | 1.91 |
| methionine | ME1147917 | 0.19 | 0.25 | 0.11 | 0.18 | 0.18 | 0.14 | 0.86 | 0.94 | 0.71 | 0.72 | 0.95 | 0.82 | 2.15 | 2.34 | 2.09 | 2.28 | 2.24 | 1.84 |
| tryptophan | ME1147954 | 0.13 | 0.19 | 0.15 | 0.16 | 0.13 | 0.12 | 1.01 | 1.21 | 0.84 | 0.88 | 1.03 | 1.03 | 1.77 | 2.47 | 1.85 | 1.66 | 1.77 | 1.58 |
| C3-DC-CH3 carnitine | ME1147865 | 0.15 | 0.16 | 0.08 | 0.12 | 0.12 | 0.10 | 1.03 | 1.04 | 0.86 | 1.00 | 1.00 | 0.94 | 1.98 | 2.08 | 1.90 | 2.09 | 1.90 | 1.62 |
| glycine | ME1147909 | 0.18 | 0.23 | 0.21 | 0.22 | 0.17 | 0.17 | 0.99 | 1.04 | 0.66 | 0.94 | 0.96 | 0.91 | 2.21 | 2.31 | 1.58 | 2.24 | 1.98 | 1.51 |
| citrulline[13]C5 | ME1147893 | 0.66 | 0.33 | 2.10 | 1.18 | NA | 0.75 | 0.28 | 0.68 | 0.08 | 0.42 | 0.95 | 0.25 | 1.73 | 1.55 | 1.13 | 1.41 | 1.42 | 1.11 |
| citrulline | ME1147890 | 0.48 | 0.47 | 1.93 | 1.29 | 0.27 | 0.84 | 0.43 | 0.73 | 0.21 | 0.53 | 0.46 | 0.43 | 2.47 | 2.47 | 1.73 | 2.32 | 2.41 | 1.75 |
| C26 carnitine | ME1147886 | 0.61 | 0.56 | 0.56 | 0.62 | 0.65 | 0.61 | 0.93 | 0.97 | 0.75 | 0.79 | 0.89 | 0.81 | 1.83 | 2.11 | 1.52 | 1.80 | 1.50 | 1.32 |
| 1-methylnicotinamide | ME1147835 | 0.71 | 0.74 | 0.76 | 0.68 | 0.74 | 0.72 | 0.64 | 0.70 | 0.76 | 0.62 | 0.63 | 0.80 | 1.91 | 2.05 | 1.75 | 1.97 | 1.98 | 1.69 |
| trimethylamine-N-oxide | ME1147953 | 0.82 | 0.83 | 0.95 | 0.79 | 0.80 | 0.86 | 0.72 | 0.72 | 0.74 | 0.72 | 0.67 | 0.72 | 1.94 | 1.96 | 1.42 | 1.87 | 1.76 | 1.40 |
Factors:
| F1 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:0.5 h |
| F2 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:0 h |
| F3 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:10 h |
| F4 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:1 h |
| F5 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:2 h |
| F6 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:6 h |
| F7 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:0.5 h |
| F8 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:0 h |
| F9 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:10 h |
| F10 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:1 h |
| F11 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:2 h |
| F12 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:6 h |
| F13 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:0.5 h |
| F14 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:0 h |
| F15 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:10 h |
| F16 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:1 h |
| F17 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:2 h |
| F18 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:6 h |