Data for ST004401
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-Hydroxydecanoic acid | 12852.56 | - | 6337.72 | - | 10444.98 | 26553.60 | 15033.73 | 48349.34 | 50076.96 | 60101.24 | 51257.43 | 9826.08 | |
| 2^,3^ cyclic AMP | 8070758.06 | 5167748.62 | 8987339.69 | 7936088.45 | 7892748.59 | 6472673.24 | 13762234.75 | 12997044.48 | 15146143.32 | 12827044.66 | 10211279.99 | 10515860.44 | |
| 2^,3^ cyclic CMP | 22710.75 | 12091.87 | 17699.59 | 7787.22 | 28706.59 | 31052.97 | 5813.28 | 1271.48 | 2478.95 | 6512.33 | 7581.32 | 34496.53 | |
| 2,3-Diaminopropionic acid | 3435.43 | - | - | - | - | - | - | - | - | - | - | - | |
| 2^,4^-Dihydroxyacetophenone | 27849.32 | 13882.15 | - | 40748.68 | 75136.62 | 13815.78 | 58875.63 | 100869.90 | 39202.85 | 82321.66 | 39202.70 | 86402.52 | |
| 2-Aminobenzenesulfonic acid | - | 4972.56 | - | - | - | 6332.41 | - | 5079.66 | 12266.03 | 5263.50 | - | - | |
| 2-Deoxy-glucose | 184681.29 | 299066.00 | 811290.58 | 1037916.88 | - | 244359.81 | - | 315640.81 | - | - | - | 322184.90 | |
| 2-Hydroxy-4-(methylthio)butanoic acid | 8062.57 | 3915.35 | 10137.03 | 2055.90 | - | - | - | 6890.33 | - | - | - | - | |
| 2-Hydroxybutyric acid | 575796.05 | 456576.88 | 526995.34 | 754171.23 | - | 555904.56 | 390085.16 | 246283.57 | 457287.26 | 516695.90 | 605997.54 | 694439.18 | |
| 2-Hydroxyphenylacetic acid | 27849.32 | 13882.15 | - | 40748.68 | 75136.62 | 13815.78 | 58875.63 | 100869.90 | 39202.85 | 82321.66 | 39202.70 | 86402.52 | |
| 2-Keto-3-deoxy-D-gluconic acid | - | - | 35793.77 | - | - | - | 14386.42 | - | - | - | - | - | |
| 2-Methoxyestrone | - | - | - | 2133.07 | 1162.43 | - | - | 1720.39 | 2503.86 | 1841.53 | - | 7992.77 | |
| 2-Methylcitric acid | - | 7912.19 | - | 16712.56 | - | - | 2789.18 | - | 19516.94 | - | 13523.71 | - | |
| 2-Methylglutaric acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-Oxoglutaric acid | 188544.95 | 150638.48 | 39518.07 | 355640.21 | 580394.61 | 510495.10 | 14223.83 | 225978.89 | - | 15163.78 | 702276.52 | 247402.86 | |
| 2-Phosphoglyceric acid | - | - | 3079.53 | - | - | - | - | - | - | - | - | - | |
| 2-Pyrocatechuic acid | 12757.35 | 681.22 | 4390.91 | 30666.81 | - | - | 9872.26 | 17160.40 | - | - | - | - | |
| 3-(2-Hydroxyphenyl)propanoic acid | 24841.81 | 9136.31 | 9849.27 | 22349.19 | 7951.65 | 25974.53 | 58225.60 | 37884.87 | 24730.93 | 64980.22 | 73700.58 | 37143.10 | |
| 3,4-Dihydroxybenzeneacetic acid | 2911.05 | 34388.96 | - | - | - | 3328.14 | 75180.02 | - | 19134.73 | 23150.76 | 5742.86 | - | |
| 3,4-Dihydroxymandelic acid | 1135.92 | - | 15700.63 | 1240.29 | - | 14234.14 | - | - | - | - | - | - | |
| 3,4-Dihydroxyphenylglycol | 264324.64 | 128028.34 | 120002.16 | 46512.98 | 330915.08 | 146662.58 | - | 124702.80 | 295802.93 | 75116.59 | 21652.00 | 677821.25 | |
| 3^,5^ cyclic AMP | 8070758.06 | 5167748.62 | 8987339.69 | 7936088.45 | 7892748.59 | 6472673.24 | 13762234.75 | 12997044.48 | 15146143.32 | 12827044.66 | 10211279.99 | 10515860.44 | |
| 3^,5^ cyclic GMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Amino-4-hydroxybenzoic acid | 63090.02 | - | - | - | 36019.16 | - | 40262.54 | 51880.40 | - | - | 8805.19 | 32501.19 | |
| 3-Dehydroshikimate | - | 340.91 | 56056.51 | - | 4481.51 | 57647.72 | 32554.84 | 70011.86 | 13512.07 | 4325.01 | - | 48737.35 | |
| 3E-Methylglutaconic acid | 59341.37 | 13045.00 | 257602.67 | - | - | - | 455893.79 | 445315.71 | 345006.24 | 562302.30 | 104573.06 | 398623.30 | |
| 3-Hydroxybenzaldehyde | - | - | - | - | 666261.59 | - | - | - | - | - | - | - | |
| 3-Hydroxybenzoic acid | - | 25955.81 | - | - | - | - | 26339.08 | - | - | 95920.54 | 64228.45 | - | |
| 3-Hydroxybenzyl alcohol | 12852.26 | - | - | - | 2046.43 | 31838.23 | - | - | 95933.50 | - | 42589.00 | - | |
| 3-Hydroxybutyric acid | 48476.02 | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxymethylglutaric acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxyphenylacetic acid | - | - | - | 59035.64 | - | 127975.72 | - | - | - | - | - | - | |
| 3-Mercaptopyruvic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Methoxytyrosine | 105436.54 | - | - | 81877.78 | 144266.31 | 43245.52 | 49541.94 | - | - | 174126.15 | - | - | |
| 3-Methyl-2-oxovaleric acid | 74634954.91 | 50919034.99 | 63821518.51 | 84084525.32 | 78760327.37 | 76275367.26 | 48172849.01 | 43872536.21 | 44849072.21 | 50628174.39 | 82804089.37 | 73581854.81 | |
| 3-Methyloxindole | 17482.13 | - | 13300.45 | - | - | - | - | - | - | - | 23377.51 | 47341.43 | |
| 3-Phosphoglyceric acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Sulfino-alanine | - | 29838.47 | 239923.79 | 63485.67 | 53423.21 | 147848.00 | 46405.45 | - | 229337.28 | 28650.36 | - | - | |
| 4,5-Dihydroorotic acid | 12340.94 | - | 3779.29 | - | 1921.33 | - | - | - | 4082.94 | - | - | - | |
| 4-Hydroxybenzaldehyde | 395277.26 | - | - | 415951.61 | 455734.12 | 191395.59 | 347487.25 | 574958.82 | 579038.57 | - | 506782.50 | 317957.40 | |
| 4-Hydroxybenzoic acid | 93552.59 | - | 33412.54 | - | - | 11726.66 | 24558.46 | - | 23514.24 | 176514.33 | 52873.88 | 99594.60 | |
| 4-Hydroxyphenylacetic acid | 125481.09 | - | - | - | 67611.72 | 174061.00 | 8304.68 | 188976.75 | 464679.79 | - | - | - | |
| 4-Methylcatechol | 12852.26 | - | - | 437176.00 | - | - | 210509.35 | - | 95933.50 | - | 106212.68 | - | |
| 4-Pyridoxic acid | - | 52223.70 | - | - | - | 18939.46 | 80666.37 | - | - | 248717.33 | - | 36257.82 | |
| 4-Quinolinecarboxylic acid | - | 20978.57 | 7746.11 | - | - | - | - | - | - | - | - | - | |
| 5^-Deoxyadenosine | - | 15408.81 | - | - | - | - | - | 29618.83 | - | - | - | - | |
| 5-Hydroxyindoleacetic acid | 18435.93 | 3147.29 | 9453.14 | 24014.00 | 20963.29 | 12231.01 | - | 25863.59 | - | - | 1695.05 | - | |
| 5-Methylcytidine | - | 50259.61 | 66593.82 | - | 174076.14 | 93739.23 | 103706.18 | 53710.37 | 78612.87 | 71759.30 | 150408.49 | - | |
| 6-Hydroxynicotinic acid | - | - | 54994.91 | - | 25105.15 | 5619.69 | - | - | - | 16513.43 | - | - | |
| 6-Phosphogluconic acid | - | - | - | - | 406.52 | - | - | - | - | - | - | - | |
| Acetic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Acetoacetic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Adenosine | 2859.85 | - | - | - | - | - | 3008.72 | 26084.80 | 24049.17 | 46839.78 | 54970.60 | 49083.73 | |
| Adenosine 3^,5^-diphosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Adipic acid | - | - | 1069784.70 | - | - | - | - | - | - | - | 240173.98 | - | |
| ADP | - | - | - | - | - | - | - | - | - | - | - | 827.93 | |
| ADP-glucose | - | - | - | - | - | - | - | - | - | - | - | - | |
| ADP-ribose | - | - | - | 3181.15 | - | - | - | - | - | - | - | - | |
| AICAR-P | - | - | - | - | - | - | - | - | - | - | - | - | |
| Allantoin | 17577.00 | 4238.61 | 12916.47 | 28954.01 | 127979.89 | 30486.84 | 1575.49 | 33745.87 | 46987.82 | - | - | 8501.13 | |
| Allose | - | - | 43430.29 | 593121.30 | 1041517.82 | 567886.01 | - | - | - | 13885.89 | - | - | |
| AMP | - | - | - | - | - | - | - | 248005.41 | 534020.81 | 417810.60 | 771782.41 | 643339.57 | |
| Arabitol | - | - | 17728.16 | - | - | - | - | 8026.36 | - | - | - | - | |
| Aspartic acid | - | - | - | 892301.55 | 2064691.46 | 875127.05 | - | - | 556017.24 | - | - | - | |
| ATP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Azelaic acid | - | - | - | - | 105536.19 | 20826.19 | - | 22002.33 | 63937.84 | 90796.76 | - | - | |
| Benzaldehyde | - | - | - | - | - | - | - | - | - | - | - | - | |
| Benzylamine | - | - | - | - | 3798.39 | - | - | 11876.46 | - | - | - | - | |
| beta-D-sedoheptulose | 38126.60 | - | - | 38260.48 | - | 13684.11 | - | - | 26466.46 | - | 84319.64 | 8052.20 | |
| Butyric acid | - | 57244.62 | 130620.76 | 108487.76 | 243434.35 | 121225.99 | - | - | 64795.03 | - | - | - | |
| Caffeic acid | 5008.30 | - | 1785.70 | 4313.01 | 3676.33 | 12774.85 | 39267.92 | 17950.76 | 31197.00 | 15925.13 | 24673.15 | - | |
| CDP | - | - | - | - | - | 0.89 | - | - | - | - | - | - | |
| CDP-Ethanolamine | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cellobiose | - | - | - | - | - | - | - | - | - | - | - | - | |
| Citraconic acid | 5631.69 | - | - | 1244.23 | 3717.26 | 10034.76 | - | 13010.75 | 10273.64 | 30727.59 | - | - | |
| Citramalic acid | 18947.27 | - | - | 185053.86 | 346961.34 | 178081.01 | 82795.28 | - | - | 80417.59 | - | - | |
| Citric acid | - | - | 12384.58 | 6659.66 | 18708.72 | - | - | - | - | 19602.91 | 13145.20 | 117139.27 | |
| CMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cortisol | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cortisol 21-acetate | - | - | - | - | - | - | - | - | - | - | - | - | |
| CTP | - | - | - | - | - | - | - | - | - | 831.10 | 812.98 | - | |
| Cysteine | 70075.72 | 51870.62 | 106513.86 | 120672.14 | 108581.22 | 99903.75 | 114670.34 | 98749.34 | 87054.09 | 64936.79 | 75532.26 | 118823.12 | |
| dAMP | 11562.27 | 11998.52 | 8178.71 | 10380.47 | 6262.25 | 3151.96 | 8054.72 | 3642.43 | 11661.40 | 11612.97 | 9316.17 | 17418.82 | |
| dATP | - | - | - | - | - | - | - | - | 944.45 | - | - | - | |
| dCDP | - | - | 2.82 | 621.48 | 1837.33 | - | - | - | 3125.36 | - | 3277.39 | 1991.93 | |
| dCMP | - | 516.65 | - | - | - | - | 668.19 | - | - | - | - | - | |
| Deoxyadenosine | - | 16017.03 | - | - | - | - | 78483.88 | 30531.15 | - | - | - | 21288.42 | |
| Deoxycytidine | - | 130148.07 | 24346.98 | - | 45671.62 | - | 91135.72 | 147965.03 | - | 308634.65 | 165184.86 | 30787.21 | |
| Deoxyguanosine | - | - | - | - | - | 13502.92 | - | - | - | 5235.50 | - | - | |
| Deoxyuridine | 116092.20 | 34967.14 | 61535.08 | 96355.26 | - | 65333.08 | 73783.14 | 20191.03 | 16885.50 | - | - | - | |
| dGDP | - | - | - | - | - | - | - | - | - | - | - | - | |
| dGMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| dGTP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Diacetyl | - | 11272.72 | - | - | - | 17017.11 | - | - | - | - | - | - | |
| Dihydrofolic acid | - | - | - | - | - | - | - | - | - | - | 572.57 | - | |
| Dihydroxyacetone phosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Dimethylallyl-diphosphate | - | - | - | - | 690.23 | - | - | - | - | - | - | - | |
| D-Tagatose | 57576.91 | - | 44748.19 | 15898.91 | 62956.73 | 23748.04 | 61230.45 | - | 1678.12 | - | - | - | |
| dTDP-glucose | - | - | - | - | - | - | - | - | - | - | - | - | |
| dTMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| dUMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| dUTP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Erythritol | 408993.65 | - | - | - | - | - | - | - | - | - | - | - | |
| Ethyl 3-(carbamoylamino)propanoate | - | 4474.03 | 5612.68 | 1687.09 | - | 1542.87 | 49630.18 | 7078.15 | 12234.54 | 6419.25 | - | 14343.09 | |
| Ethylmalonic acid | - | - | - | - | 808690.58 | - | - | - | - | - | - | - | |
| Folic acid | - | - | - | - | - | - | - | - | - | - | - | 2523.80 | |
| Fructose 1,6-bisphosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Fructose 6-phosphate | 143.90 | - | - | 124.90 | 472.51 | - | 36.66 | 168.21 | - | - | - | - | |
| Fumaric acid | - | 42980.30 | - | - | - | - | - | - | - | - | - | - | |
| Galactaric acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Galactitol | 4897402.85 | 3062308.11 | 2068369.17 | 2375537.13 | 860649.40 | 764125.14 | 8066009.16 | 3872997.63 | 4804390.98 | 6483963.83 | 3855148.86 | 3735623.76 | |
| Galactose | - | 3895409.79 | - | - | - | - | 6493722.62 | 6416618.82 | 6340093.97 | 6523516.37 | 6275707.78 | 6652654.02 | |
| Galactose 1-phosphate | - | 10.98 | - | - | 5311.65 | - | - | - | - | 366.86 | 370.32 | 2164.43 | |
| Galacturonic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| gamma-Aminobutyric acid | - | - | 19020.10 | 60078.54 | 17181.62 | - | 119397.74 | 145766.31 | - | 205081.56 | 32116.06 | - | |
| GDP | - | - | - | - | - | - | - | - | - | - | - | - | |
| GDP-mannose | - | - | - | - | - | - | - | - | - | - | - | - | |
| Geranyl diphosphate | - | 213.31 | - | - | - | 228.13 | - | - | - | 523.14 | - | - | |
| Glucaric acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Gluconic acid | 22900.03 | - | - | - | - | 38265.70 | - | 18329.63 | - | - | - | - | |
| Gluconolactone | 405774.21 | - | 279854.34 | 51748.00 | - | 165023.56 | 145359.13 | - | - | 85334.98 | 51129.37 | - | |
| Glucosamine 6-phosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Glucose | - | - | 55329.43 | 26480.15 | - | - | 77102.32 | 5081.40 | - | 6194.11 | 12201.85 | 377.55 | |
| Glucose 1-phosphate | 145.25 | 491.24 | - | 4751.53 | 5582.15 | 1564.89 | - | - | 180.62 | 772.62 | 776.08 | 2570.19 | |
| Glucose 6-phosphate | - | 220.73 | - | 4481.03 | 5311.65 | 1294.38 | - | - | - | 366.86 | 370.32 | 2164.43 | |
| Glucuronic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Glucuronolactone | - | 48349.55 | - | 38225.79 | 1396.58 | - | 106862.09 | 72452.45 | - | 125907.21 | 96317.86 | 134576.29 | |
| Glutamic acid | - | - | - | 575858.41 | 976980.06 | 355379.42 | - | - | 1438728.63 | - | - | - | |
| Glutaric acid | - | - | 143231.44 | - | 81738.51 | 438040.43 | 312170.63 | 25213.67 | - | - | - | - | |
| Glyceric acid | 27357.82 | - | 162306.23 | 357814.45 | 370056.64 | 269925.83 | 53113.82 | - | 135203.62 | 134128.34 | 116303.35 | 252097.44 | |
| Glycerol | 15920.61 | - | - | - | 81739.08 | 99282.94 | 11119.25 | - | 113697.33 | - | - | - | |
| Glycolic acid | - | 1573.08 | 70445.87 | - | 145951.04 | 32748.46 | - | - | 62514.43 | - | - | 793.68 | |
| Glyoxylic acid | - | - | 73784.76 | - | - | 125220.92 | 67730.94 | - | - | - | - | 171473.26 | |
| GMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| GTP | - | - | - | - | - | 558.28 | - | - | - | - | - | - | |
| Guanidinosuccinic acid | 44158.72 | 34166.17 | - | - | 26548.81 | 42535.82 | 66391.95 | - | 42215.34 | - | - | - | |
| Guanosine | - | - | 12038.44 | 34916.57 | 24650.42 | - | 7459.66 | 6451.10 | 38543.91 | 3508.11 | 23984.17 | 29610.74 | |
| Gulose | 3857500.01 | 4129248.95 | - | 3014627.32 | 2978155.54 | 3166834.44 | 7729685.15 | 8003044.09 | 7895449.96 | 7731002.29 | 6596686.53 | 7673909.73 | |
| Homogentisic acid | 47331.46 | 36415.17 | - | 1043.73 | 32136.11 | - | 17617.63 | - | - | 9028.40 | - | - | |
| Homovanillic acid | 27725.10 | - | 1565.23 | 119901.80 | 4169.53 | 226909.22 | - | 6286.20 | - | 58964.75 | 24306.61 | - | |
| Hydroxyphenyllactic acid | - | - | - | 89889.01 | - | 196896.43 | 80255.57 | - | - | 13945.56 | - | - | |
| Hydroxypyruvic acid | 6367.23 | 35439.52 | 18842.82 | 27768.36 | - | 24848.75 | 96720.13 | 67101.88 | 66436.86 | 20223.03 | 48356.81 | 19819.83 | |
| IDP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Imidazoleacetic acid | - | - | 4681.42 | 8227.02 | - | - | 8209.01 | - | 13764.77 | - | - | - | |
| IMP | - | - | - | - | - | 457.13 | - | - | - | - | - | - | |
| Indoleacetaldehyde | 540.28 | 3684.02 | - | 15989.08 | 20285.89 | 5074.82 | - | - | - | 43769.17 | 3816.00 | 5439.15 | |
| Indolepyruvate | 20956.63 | 4878.76 | 5659.47 | 14739.76 | 8047.66 | 16465.98 | 36812.12 | - | 2518.26 | 22445.08 | 35717.56 | 32514.87 | |
| INDOXYL BETA-GLUCOSIDE | - | - | - | 1230.67 | 2539.85 | - | - | - | - | 7393.76 | - | - | |
| Indoxyl sulfate | - | - | - | 4038.48 | - | - | - | - | - | - | - | - | |
| Isocitric acid | - | - | - | - | - | 40292.80 | - | - | - | - | - | - | |
| Isopentenyl-diphosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Itaconic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| ITP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lactic acid | 135611503.10 | 101700335.20 | 116167851.70 | 187392302.90 | 191407822.90 | 168330717.90 | 112199008.30 | 110905822.00 | 101973333.30 | 112496698.90 | 143327125.60 | 122562777.20 | |
| Lactose | - | - | - | - | - | - | - | - | - | - | - | - | |
| L-Gulonolactone | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lumazine | 103898.19 | 66696.89 | 76090.98 | 114311.23 | 69667.98 | 10807.73 | 55114.66 | - | - | - | 28585.53 | - | |
| Maleic acid | 111844.74 | 141927.92 | 59510.12 | 108919.84 | 56984.56 | 127988.39 | 303282.11 | 4071.68 | 130366.94 | 41240.13 | 22344.44 | 32595.50 | |
| Malic acid | - | - | - | 5754.96 | - | - | 7888940.28 | 7646770.06 | 8846547.73 | 8563381.27 | 8730926.52 | 8702741.24 | |
| Malonic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Malonyl-CoA | - | - | - | - | - | - | - | - | - | - | - | - | |
| Maltose | - | - | - | 43375748.01 | 96922499.07 | 50806546.51 | - | - | - | - | - | - | |
| Mandelic acid | 7459.11 | - | - | 20358.47 | 64545.77 | - | 28290.32 | 70284.60 | 8617.54 | 98460.03 | 166800.54 | 55817.21 | |
| Mannitol | 4897402.85 | 3062308.11 | 2068369.17 | 2375537.13 | 860649.40 | 764125.14 | 8066009.16 | 3872997.63 | 4804390.98 | 6483963.83 | 3855148.86 | 3735623.76 | |
| Mannose | - | - | - | - | - | - | - | - | - | - | - | - | |
| Mannose 6-phosphate | 495.65 | 239.63 | - | 5729.45 | - | 3657.24 | 879.95 | - | - | 366.86 | 1116.86 | 1155.67 | |
| Melibiose | - | - | - | 43375748.01 | 96922499.07 | 50806546.51 | - | - | - | - | - | - | |
| Meso-tartaric acid | 8906.13 | - | - | 12354.29 | 28487.39 | 6128.46 | - | - | - | - | - | - | |
| Mesoxalic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Methyl 4-aminobutanoate | - | 109257.18 | - | 97122.90 | 62010.39 | 77308.52 | 99731.98 | - | - | 18456.05 | - | 163684.39 | |
| Methylacetoacetic acid | 8963899.30 | 6943026.55 | 8142773.40 | 11056224.04 | 10111791.91 | 9640185.66 | 7012014.62 | 6372293.49 | 6885624.18 | 6964972.17 | 11753501.79 | 10192344.59 | |
| Methyl beta-D-galactoside | 28170.43 | - | - | 30824.00 | 48265.06 | 42238.11 | - | 20624.96 | - | 79990.70 | - | 144194.47 | |
| Methylglutaric acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Methylmalonic acid | - | 66889.03 | - | - | - | - | 71028.70 | - | - | - | - | - | |
| Mevalonic acid | - | - | 941633.40 | - | - | - | 576953.16 | 128688.18 | 19668.60 | 886271.55 | 137503.85 | - | |
| Monoethyl malonic acid | 511992.78 | 1206041.23 | - | 32362.35 | 1522180.92 | 1116709.69 | 980064.15 | 1233091.38 | - | - | - | - | |
| Monomethyl glutaric acid | - | - | 1069784.70 | - | - | - | - | - | - | - | 240173.98 | - | |
| Myo-inositol | - | - | 43430.29 | 593121.30 | 1041517.82 | 567886.01 | - | - | - | 13885.89 | - | - | |
| Myo-inositol hexakisphosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Acetylalanine | 101999.42 | - | 102755.18 | 241916.91 | 107190.88 | 113652.23 | 267850.20 | 296485.06 | 204271.76 | 41275.89 | 165174.41 | 248644.51 | |
| N-Acetylaspartic acid | - | - | - | - | 30779.78 | - | - | - | - | - | - | - | |
| N-Acetylcysteine | - | 17915.12 | 2288.59 | 4608.49 | 2851.31 | - | - | - | 12654.78 | - | 24073.00 | - | |
| N-Acetylglutamic acid | - | 18031.38 | 82253.49 | 380178.47 | 154587.02 | - | - | - | - | - | 191095.49 | - | |
| N-Acetylglycine | 207590.81 | - | - | - | - | 91733.84 | - | - | 28795.05 | - | - | - | |
| N-Acetylleucine | 2568.59 | 25069.67 | - | - | - | - | - | - | - | - | 14049.62 | - | |
| N-Acetylmethionine | 221324.34 | 103404.22 | 66447.13 | 209517.42 | 119044.82 | 45240.96 | 144563.88 | 14598.49 | 191832.32 | 153899.68 | 185183.38 | 146676.58 | |
| N-Acetylphenylalanine | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Acetyl-proline | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Acetylputrescine | 5827.27 | 3110.84 | - | - | - | - | - | - | - | - | - | - | |
| N-Acetylserine | - | - | - | 1271565.73 | 2142627.18 | 1231064.19 | - | - | 484962.36 | - | 30837.64 | - | |
| NADH | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Formylmethionine | 35939.59 | 60040.72 | 23565.04 | 33062.22 | 62211.41 | 25252.42 | 30506.92 | 2165.28 | 56008.00 | 12814.61 | 101618.44 | 34595.22 | |
| Nicotinamide purin-6-ol-dinucleotide | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Methyl-D-aspartic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Methyl-glutamic acid | 120026.73 | 67112.68 | 264482.33 | 106007.74 | 97433.25 | 103753.04 | 83772.08 | 285919.15 | - | 101953.30 | 49680.52 | 191039.11 | |
| N-Methyltryptamine | - | - | - | - | - | - | - | - | - | - | - | - | |
| O-Acetylserine | - | - | - | 1271565.73 | 2142627.18 | 1231064.19 | - | - | 484962.36 | - | 30837.64 | - | |
| Orotic acid | - | - | 18872.61 | - | 18971.60 | - | 11822.80 | - | - | - | 9557.45 | - | |
| Oxalic acid | - | - | - | - | - | 12052.24 | - | - | - | - | - | - | |
| Oxaloacetic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oxoadipic acid | 16718.27 | 134161.18 | 41938.59 | 75480.43 | - | 32634.11 | 113230.16 | 166262.91 | - | 113663.22 | 158681.99 | 77112.01 | |
| Palatinose | - | - | - | 43375748.01 | 96922499.07 | 50806546.51 | - | - | - | - | - | - | |
| P-Aminobenzoic acid | 65029.31 | - | - | - | - | 10126.25 | 98173.74 | 7556.05 | 17286.05 | - | - | 170672.62 | |
| Phenylacetaldehyde | - | - | 121886.34 | 3535.54 | 21997.62 | 3723.88 | - | - | - | - | 58458.47 | 74154.97 | |
| Phosphocreatine | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoenolpyruvic acid | - | - | - | - | - | 3360.70 | - | - | - | - | - | - | |
| Phosphonoacetate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoribosyl pyrophosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pimelic acid | 668552.65 | 195488.28 | 233640.51 | 184135.87 | 604721.27 | 59719.54 | - | - | 465081.53 | 54226.16 | - | - | |
| Pinitol | - | - | 20449.95 | 78193.69 | - | - | - | - | 1279.98 | - | - | - | |
| Pipecolic acid | 803545.60 | - | 567761.32 | 1015855.86 | - | - | - | - | - | - | 402223.24 | 436144.63 | |
| Porphobilinogen | - | - | - | - | 11213.80 | - | - | 87835.15 | - | - | - | - | |
| Pregnenolone sulfate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Protocatechuic acid | 12757.35 | - | 4390.91 | 30666.81 | - | - | - | 17160.40 | - | - | - | - | |
| Psicose | - | - | - | 26480.15 | - | - | 77102.32 | - | - | 6194.11 | - | 377.55 | |
| Pyridoxal 5^-phosphate | 559.47 | 863.86 | - | - | - | 1489.21 | 936.66 | - | 799.08 | - | - | - | |
| Pyrocatechol | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pyroglutamic acid | 40710057.45 | 29062665.71 | 41821010.12 | 69323488.90 | 73351173.82 | 63257899.01 | 44427352.61 | 44323861.33 | 71706813.41 | 42602938.24 | 51570804.56 | 55622734.52 | |
| Pyrrole-2-carboxylic acid | 94870.44 | 16867.53 | - | - | - | 141131.17 | - | 114401.92 | - | - | 7018.57 | - | |
| Pyruvic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Quinic acid | - | - | - | 956692.60 | 2178703.12 | 927949.35 | - | - | - | - | - | - | |
| Quinolinic acid | 30987.76 | - | - | - | - | 688.05 | - | - | 104514.51 | - | - | 77560.97 | |
| Raffinose | - | - | - | 108989.91 | 237501.66 | 156660.28 | - | - | - | - | - | - | |
| Resorcinol monoacetate | - | - | - | - | - | - | - | - | - | - | - | 71.65 | |
| Ribose 1,5-bisphosphate | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ribose 5-phosphate | 473.88 | - | 654.03 | 1891.99 | 6560.23 | - | - | - | - | - | - | - | |
| Salicylamide | 30324.27 | - | 57286.89 | 84263.14 | - | - | - | 2074.57 | - | 76488.73 | - | - | |
| Salicylic acid | - | 25955.81 | - | - | - | - | 26339.08 | - | 15392.30 | 95920.54 | 64228.45 | - | |
| Sebacic acid | - | - | - | - | 12525.53 | - | 6579.64 | 13850.39 | 1303.15 | - | - | - | |
| Shikimic acid | - | - | - | 273258.39 | 122356.64 | - | - | - | - | - | - | - | |
| sn-Glycero-2-phosphate | 1321.96 | - | - | - | - | - | - | 2620.55 | - | 3074.89 | - | - | |
| sn-Glycero-3-phosphate | 1321.96 | - | - | - | - | - | - | 2620.55 | - | 3074.89 | - | - | |
| Sorbic acid | - | - | - | - | - | - | - | - | - | 32641.08 | - | - | |
| Sorbitol | 4897402.85 | 3062308.11 | 2068369.17 | 2375537.13 | 860649.40 | 764125.14 | 8066009.16 | 3872997.63 | 4804390.98 | 6483963.83 | 3855148.86 | 3735623.76 | |
| Sorbose | - | - | 55329.43 | 26480.15 | - | - | 77102.32 | 5081.40 | - | 6194.11 | 12201.85 | 377.55 | |
| Stachyose | - | - | - | 5798.39 | 20133.28 | 8879.84 | - | - | - | - | - | - | |
| Succinic acid | - | 66889.03 | - | - | - | - | 71028.70 | - | - | - | - | - | |
| Sucrose | - | - | - | - | - | - | - | - | - | - | - | - | |
| Tartaric acid | 188.12 | - | 3274.99 | - | - | - | 247.34 | - | - | - | - | 7169.12 | |
| Tetrahydrocortisol | - | - | - | - | - | - | - | - | - | - | - | - | |
| Thiamine diphosphate | 745.58 | 4920.72 | 1665.29 | 7816.73 | 3502.45 | 1954.79 | 1477.01 | 89.66 | - | - | - | - | |
| Threitol | 408993.65 | - | - | - | - | - | - | - | - | - | - | - | |
| Thymidine | 322281.54 | 158341.05 | 33829.74 | 232800.64 | 343241.75 | - | - | 13705.45 | - | - | 25501.17 | 224341.20 | |
| trans-Aconitic acid | - | - | - | - | 3354.78 | - | 4708.15 | - | - | - | - | - | |
| trans-Ferulic acid | - | - | - | - | - | - | - | - | - | 3996.11 | - | - | |
| Trehalose | - | - | - | - | - | - | - | - | - | - | - | - | |
| Tryptophanamide | - | 4376.54 | - | - | - | - | 5927.39 | 7241.38 | - | - | - | - | |
| UDP | - | - | - | - | - | - | - | - | - | - | - | - | |
| UDP-galactose | - | 7969.47 | 6651.75 | - | - | - | 17345.07 | 22971.15 | 17646.52 | 17343.05 | - | - | |
| UDP-glucose | - | 6253.70 | 4935.98 | - | 4888.03 | - | 14771.42 | 20397.49 | 15072.86 | 14769.39 | - | - | |
| UDP-glucuronic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| UDP-N-acetylglucosamine | 11193.24 | - | - | - | - | - | - | 7539.37 | - | 10906.87 | - | 9451.09 | |
| UMP | 619.09 | - | 15.97 | - | - | - | - | - | - | - | - | - | |
| Uracil | - | - | - | - | - | - | - | - | - | 42300.34 | 190962.20 | - | |
| Uracil-5-carboxylic acid | - | 9906.32 | 1866.06 | 470.85 | - | 1471.48 | - | - | - | - | 1238.53 | - | |
| Ureidopropionic acid | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uric acid | - | - | - | - | - | - | - | 366556.26 | - | 401462.52 | - | 249361.56 | |
| Uridine | 2607932.62 | 1840028.12 | 2164380.57 | 3473656.87 | 3194406.92 | 3095775.34 | 1508121.58 | 1461893.57 | 1588316.87 | 1584785.66 | 3815697.78 | 3572891.18 | |
| Urocanic acid | - | - | - | 1562926.50 | 2855104.53 | 1866511.89 | - | - | 1270276.81 | 3151.44 | - | - | |
| UTP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Valeric acid | 1577784.96 | 1587989.10 | 2001775.04 | 2934429.08 | 2386791.20 | 1254147.35 | 109838.39 | 381728.60 | 1930302.63 | 670859.09 | 803360.09 | 2243990.99 | |
| Vanillylmandelic acid | - | 126335.37 | - | - | - | 31664.64 | 1600.24 | 42092.94 | - | 76897.09 | - | - | |
| Vanylglycol | 105173.92 | 89976.44 | 172213.07 | 113076.05 | 120227.07 | - | - | 109929.93 | 81563.73 | 636196.51 | 183623.37 | 179810.65 | |
| Vitamin C | - | 34888.63 | - | 24764.87 | - | - | 86670.71 | - | - | 105715.83 | - | 906.40 | |
| Xanthosine | - | - | 529.91 | 241.51 | - | - | - | - | - | - | 16051.41 | - | |
| XMP | - | - | - | - | - | - | - | - | - | - | - | - | |
| Xylitol | - | - | 17728.16 | - | - | - | - | 8026.36 | - | - | - | - | |
| Xylose | - | 50980.63 | 95509.28 | - | - | - | - | - | - | - | - | - |
Factors:
| F1 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_1 |
| F2 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_2 |
| F3 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_3 |
| F4 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_4 |
| F5 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_5 |
| F6 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_6 |
| F7 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_1 |
| F8 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_2 |
| F9 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_3 |
| F10 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_4 |
| F11 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_5 |
| F12 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_6 |