Data for ST002470
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-methylhistidine | 1112036.40 | 395039.38 | 1875382.39 | 966740.25 | 148842.50 | 2662759.36 | 2254984.45 | 877088.50 | 1102273.00 | 811618.50 | |
| 1-methylurate | 57581.00 | 108062.40 | 191051.43 | - | - | 136883.00 | 992513.00 | 460348.00 | 164316.00 | 356291.50 | |
| 1-methylxanthine | 63133.33 | 54309.00 | 105019.56 | 30307.67 | 68209.00 | 113503.00 | 351159.62 | 231180.00 | 513804.00 | 213008.00 | |
| 2-(3-hydroxyphenyl)acetic acid (mHPAA) | 1699.83 | 25885.62 | 2789.22 | 2647.00 | 1195.00 | 2043.36 | 2954.60 | 654.50 | 1193.50 | 633.50 | |
| 2-aminoadipate | 232500.43 | 187689.38 | 381009.73 | 253477.50 | 68270.00 | 387511.21 | 338376.80 | 225766.00 | 434799.50 | 167147.00 | |
| 2-aminobutyrate | 82814.30 | 92391.52 | 78557.72 | 69518.00 | 53662.50 | 79358.14 | 75775.55 | 94831.50 | 102919.00 | 60681.00 | |
| 2-aminoheptanoate | 883196.30 | 1028240.71 | 1089283.94 | 1395317.00 | 1887946.50 | 904888.50 | 986721.91 | 1604991.50 | 845210.00 | 706865.50 | |
| 2-hydroxy-3-methylbutyrate/hydroxyisovalerate | 151045.80 | 201462.24 | 163101.72 | 168752.75 | 163834.00 | 192227.21 | 179284.09 | 240768.00 | 304376.50 | 208524.50 | |
| 2-hydroxy-3-methylpentanoate/hydroxyisocaproate | 17169.40 | 24221.67 | 18368.50 | 16911.50 | 15537.00 | 23675.14 | 19931.73 | 32405.00 | 37765.00 | 23216.50 | |
| 2-hydroxyglutarate | 12702423.20 | 14863933.95 | 12994620.28 | 10869030.25 | 9978848.50 | 15654870.79 | 14998910.27 | 22524280.50 | 6395095.50 | 10341801.50 | |
| 2-isopropylmalate | - | - | 1161331.80 | - | - | 1227668.00 | 1253876.00 | 4757593.00 | 276556.00 | - | |
| 3-3-hydroxyphenylpropionate | - | - | 262202.67 | - | - | 224110.50 | 109538.00 | - | 116165.00 | - | |
| 3-hydroxymethylglutarate | 25638.50 | 23981.95 | 23425.39 | 22475.25 | 21561.00 | 25116.57 | 25294.91 | 30000.50 | 23862.50 | 23037.00 | |
| 3-methyladipate/pimelate | 1924327.30 | 1923454.00 | 1929400.00 | 2101613.75 | 2568773.00 | 2014400.86 | 2689430.09 | 1304249.50 | 1731963.50 | 1613337.50 | |
| 3-phosphoglycerate | 882397.70 | 1262985.71 | 3896958.17 | 863848.50 | 4691655.00 | 777731.57 | 873119.91 | 855883.00 | 1198560.50 | 21449352.50 | |
| 4-hydroxybenzaldehyde | 2284276.90 | 2225512.52 | 2977621.11 | 2450596.50 | 2413175.50 | 2623908.57 | 2444221.36 | 2951941.00 | 3431048.00 | 3820094.50 | |
| 4-hydroxybenzeneacetonitrile | 330145.00 | - | - | - | - | - | - | - | - | 156005.00 | |
| 4-pyridoxate | 7318.80 | 6570.62 | 12449.17 | 10853.25 | 5112.00 | 24469.71 | 11260.55 | 19845.50 | 8753.50 | 27834.00 | |
| 5-dodecenoate | 34450.00 | 27856.90 | 17409.50 | 14119.75 | 8310.00 | 13692.50 | 28404.64 | 35436.00 | 34746.50 | 23205.00 | |
| 6-phosphogluconate | 53350.00 | 87101.67 | - | - | - | 64990.00 | - | 66880.00 | - | 97512.50 | |
| 7-methylxanthine | 129574.00 | 243730.11 | 595553.71 | 521866.00 | 309619.00 | 699081.15 | 661180.90 | 2114973.00 | 312172.00 | 192771.50 | |
| acesulfame | 1755.25 | 20279.71 | 141098.00 | 929.00 | 331482.00 | 136580.00 | 81054.71 | - | 20230.50 | 992552.00 | |
| acetaminophen glucuronide | 10189577.00 | 3785899.40 | 262822.67 | - | 47329.00 | 288179.50 | 229626.25 | - | - | 5771179.00 | |
| aconitate | 29372918.80 | 20837114.62 | 28914019.61 | 19374028.50 | 25482610.00 | 25735168.93 | 20345085.36 | 18437979.50 | 34451649.00 | 20696773.00 | |
| adenine | 54735.00 | 90492.50 | 54182.25 | - | - | 53509.50 | 46117.00 | 153550.50 | 85643.00 | 380190.00 | |
| adipate/methylglutarate | 36205.70 | 22359.81 | 14936.56 | 13120.75 | 12347.00 | 15125.57 | 18486.91 | 18642.00 | 14834.50 | 18582.00 | |
| adonitol/arabitol | 287761.50 | 336411.33 | 275968.22 | 236034.25 | 225696.00 | 294533.93 | 247583.27 | 401044.50 | 366947.00 | 301660.00 | |
| ADP | 10617.80 | 8439.24 | 12054.61 | 8813.50 | 7949.00 | 11056.79 | 17453.09 | 8142.50 | 16563.00 | 60527.00 | |
| alpha-glycerophosphate | 180970.89 | 111504.57 | 279713.94 | 227766.00 | 140291.50 | 271301.07 | 220107.10 | 1156089.00 | 385707.00 | 143415.50 | |
| alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrat... | 158604431.70 | 97416061.48 | 58211649.44 | 44682276.50 | 27705557.00 | 64240072.57 | 72066415.36 | 72139885.50 | 73539501.50 | 71790805.00 | |
| alpha-keto-beta-methylvalerate/alpha-ketoisocaproate | 33218211.20 | 32212881.95 | 44824904.56 | 35337851.75 | 31993758.00 | 63499980.00 | 54852857.64 | 116335296.00 | 54746611.50 | 31430982.00 | |
| alpha-ketoglutarate | 2918976.00 | 4401303.81 | 4054907.94 | 4145071.00 | 5385780.50 | 3359983.93 | 4710149.09 | 23323909.50 | 2879244.00 | 3602537.00 | |
| alpha-ketoisovalerate | 5339561.00 | 4276232.48 | 5106842.11 | 4048950.50 | 3334608.00 | 6972251.57 | 6293833.45 | 21050875.00 | 6191502.50 | 4092784.50 | |
| AMP | 29283.30 | 54596.14 | 80571.44 | 36640.50 | 48786.50 | 34488.14 | 40861.91 | 37231.50 | 32055.50 | 221865.50 | |
| anhydroDglucose | 5133177.00 | 4663415.81 | 3689501.83 | 4621812.25 | 3729647.00 | 4281090.36 | 4790001.82 | 4138365.00 | 3258900.00 | 3028161.50 | |
| aspartate | 45073.50 | 48643.38 | 49705.61 | 29104.00 | 29605.00 | 36912.79 | 35894.18 | 83096.00 | 45101.00 | 147871.00 | |
| ATP | 63196.20 | 54581.50 | 50243.87 | 59211.00 | 9677.50 | 80223.57 | 138139.00 | 48643.00 | 48648.00 | 155053.50 | |
| butyrate | 1408.80 | 684.95 | 1238.56 | 443.75 | 526.00 | 1457.86 | 1136.45 | 472.00 | 1645.50 | 638.50 | |
| chenodeoxycholate/deoxycholate | 101439.00 | 410483.50 | 446076.76 | 375339.00 | 391873.00 | 622177.86 | 544887.50 | 94643.00 | 465018.00 | - | |
| citrate/isocitrate | 362895560.00 | 223615984.86 | 293910184.17 | 199826713.75 | 243096114.50 | 252019635.07 | 211149748.36 | 235127129.50 | 436236762.00 | 245613269.00 | |
| CMP | 71458.00 | 226628.59 | 79133.27 | 142867.33 | 161702.50 | 110014.33 | 151055.14 | 94738.00 | - | 425301.00 | |
| CMPF | 1483761.30 | 4634186.90 | 4726777.83 | 11162693.75 | 3738685.50 | 3119281.36 | 4936802.64 | 208227.00 | 479761.50 | 465358.50 | |
| erythronate/threonate | 21217330.70 | 19586577.81 | 19086415.61 | 18404107.75 | 15515496.50 | 28599183.43 | 21521506.73 | 30567087.50 | 23469134.50 | 15288744.00 | |
| fructose/glucose/galactose | 88843763.50 | 69824733.81 | 82164804.06 | 49625748.50 | 32214880.50 | 72949555.46 | 62292989.55 | 4367208.00 | 103458140.00 | 97118611.00 | |
| fucose | 2411332.10 | 2198555.95 | 2646590.17 | 2642944.00 | 1817410.50 | 2247970.71 | 2229826.36 | 2165542.50 | 3567571.00 | 2220116.00 | |
| fumarate/maleate | 236926.30 | 291652.33 | 327310.17 | 231135.50 | 287735.50 | 310854.86 | 292967.09 | 431946.50 | 219366.50 | 321231.50 | |
| GDP | 51259.70 | 77607.40 | 81941.07 | 80082.25 | 83466.50 | 86199.17 | 110178.00 | 84664.00 | 82178.00 | 266615.00 | |
| gentisate | 2147691.33 | 1155988.50 | 11975629.57 | - | - | 8751811.33 | 3730318.00 | 2425195.00 | 5443780.50 | 667257.50 | |
| glucuronate | 574813.50 | 495826.43 | 438304.56 | 399933.75 | 245756.50 | 574637.79 | 390250.45 | 720500.50 | 520119.00 | 1196475.50 | |
| glutamate | 33168851.70 | 45592478.95 | 44641918.56 | 30409452.50 | 32897467.50 | 31921149.57 | 33273418.64 | 90737295.00 | 32619342.00 | 82465706.50 | |
| glutathione oxidized | 106959.50 | 28980.75 | 1898681.25 | 73841.00 | - | 185435.33 | 58564.50 | 246497.00 | - | 3971692.00 | |
| glutathione reduced | - | - | - | - | - | - | - | - | - | 4721631.00 | |
| glycerate | 96977.40 | 96481.38 | 113524.61 | 46045.50 | 47049.50 | 87199.64 | 60376.00 | 63277.00 | 74860.50 | 89135.00 | |
| glycocholate | 398395.80 | 1045634.67 | 1884201.39 | 2088502.25 | 2698537.00 | 2669390.64 | 2385357.36 | 3836984.50 | 7401578.00 | 1602138.50 | |
| glycocholate-d4 | 1149422.90 | 1042294.05 | 1007352.50 | 894649.25 | 717018.50 | 1028125.36 | 925825.36 | 923035.50 | 1098453.00 | 1290333.50 | |
| glycodeoxycholate/glycochenodeoxycholate | 871968.40 | 2508239.45 | 8585242.00 | 9275772.75 | 9311286.00 | 11192138.64 | 7626101.45 | 14015694.00 | 14568637.50 | 2553086.00 | |
| GMP | 45322.50 | 181046.64 | 435367.12 | 99591.00 | 183911.00 | 37555.14 | 61810.33 | 231877.00 | 86861.00 | 958020.50 | |
| hexose diphosphate | 4781.00 | 49548.67 | 2248007.25 | 83054.00 | 222851.00 | 25611.33 | 41172.50 | - | 33511.00 | 5005113.50 | |
| hexose monophosphate | 294892.33 | 665910.65 | 1061429.69 | 374248.00 | 800437.00 | 318965.77 | 517208.70 | 1012755.00 | 179528.50 | 1823286.50 | |
| hippurate | 53031311.00 | 15851268.38 | 10717982.00 | 8583758.75 | 6951237.00 | 23003717.64 | 5945072.82 | 2113544.50 | 9011518.50 | 15721577.00 | |
| homovanillate | 6717.78 | 4738.10 | 7847.11 | 2966.75 | 3403.00 | 7602.79 | 4701.45 | 9479.00 | 7742.50 | 2363.00 | |
| hydrocinnamate | 1558.10 | 1592.50 | 2610.39 | 2717.75 | 1730.00 | 3144.36 | 1825.82 | 2097.50 | 1396.00 | 1643.00 | |
| hypoxanthine | 377709.10 | 954979.57 | 434202.72 | 382095.25 | 416354.00 | 408252.14 | 513036.18 | 1433475.50 | 1219758.00 | 1328878.00 | |
| IMP | 77896.10 | 279590.05 | 3450256.94 | 144146.25 | 126585.50 | 81801.85 | 180826.20 | 787916.50 | 229271.00 | 20532384.50 | |
| indole-3-propionate | 2402.50 | 2168.10 | 6191.59 | 5914.75 | 3178.00 | 6338.00 | 5935.75 | 4123.00 | 3888.50 | 2212.00 | |
| indolelactate | 867800.50 | 529944.52 | 1022640.44 | 708769.50 | 501833.50 | 1627267.21 | 933160.45 | 1178377.50 | 1298492.00 | 441127.50 | |
| indoxylsulfate | 8053023.50 | 6405416.20 | 15087057.33 | 18176926.25 | 18962657.50 | 19774159.79 | 14640941.45 | 1822863.00 | 8191428.50 | 14541688.00 | |
| inosine | 231669.00 | 506447.60 | 252313.27 | 180688.50 | 141678.50 | 165070.33 | 456056.56 | 503274.50 | 1087989.50 | 714603.00 | |
| inosine-15N4 | 4430609.40 | 4330166.95 | 4491188.67 | 4091560.75 | 4386026.00 | 4965242.86 | 4146517.64 | 4969551.50 | 5119294.00 | 4906968.50 | |
| inositol | 50809969.10 | 56208702.24 | 53362565.61 | 50697258.25 | 55258461.00 | 50473488.29 | 52129906.27 | 72616300.00 | 53876127.00 | 42598310.00 | |
| isovalerate/valerate/methylbutyrate | 14090338.70 | 8392806.19 | 13028489.89 | 16488992.00 | 9775749.50 | 27273269.07 | 24477439.64 | 3195187.50 | 6129759.00 | 4847534.00 | |
| kynurenine | 67820.00 | - | 122592.75 | - | - | 101780.00 | 80894.00 | - | 118321.00 | - | |
| lactate | 6819097.00 | 9050622.29 | 7844423.00 | 7568705.50 | 7673356.50 | 8659280.29 | 7497275.45 | 11556415.50 | 7668137.00 | 8226455.50 | |
| lactose | 80777.80 | 92233.29 | 1155611.56 | 182852.50 | 38733.50 | 145240.29 | 78995.82 | 147946.50 | 19422.00 | 1243414.00 | |
| malate | 653254.50 | 794267.62 | 831643.56 | 581797.25 | 730667.00 | 880566.93 | 761838.82 | 1283540.00 | 615965.50 | 840250.50 | |
| malonate | 569299.60 | 518432.86 | 532595.72 | 563758.25 | 525555.00 | 504104.57 | 634435.55 | 535719.00 | 526956.00 | 388354.00 | |
| mesaconate | 3935218.50 | 3165949.62 | 3574299.06 | 2703624.25 | 3647424.00 | 3508639.21 | 2857036.55 | 7766812.00 | 2434910.00 | 4804912.00 | |
| N-acetylglutamate | 1518160.90 | 1908179.95 | 2366705.89 | 2039603.25 | 2243561.50 | 2967048.08 | 2597587.18 | 2693653.00 | 2847968.00 | 1986269.00 | |
| Ne-Ne dimethyllysine | - | - | 68278.00 | - | - | - | - | - | - | - | |
| nicotinate | 396373.00 | - | 559840.00 | - | - | - | - | - | - | - | |
| oxalate | 832327.60 | 594889.43 | 1006396.72 | 684248.75 | 469621.50 | 726631.71 | 1273079.73 | 1804205.00 | 1149459.50 | 266611.50 | |
| pantothenate | 157349.90 | 160996.24 | 97871.33 | 101796.25 | 64300.00 | 108312.86 | 120236.64 | 179811.00 | 85890.50 | 202890.00 | |
| pentose monophosphate | 116961.00 | 34214.00 | 18611.00 | - | - | - | - | - | 87920.50 | 292826.00 | |
| PEP | - | 104452.00 | 6864991.00 | - | 260755.00 | - | - | 17744.00 | - | 2816869.00 | |
| phenyllactate | 546499.12 | 492161.89 | 748380.00 | 650967.75 | 538339.50 | 989463.86 | 1023599.60 | 913080.00 | 3107065.50 | 569212.50 | |
| propionate | 978182.33 | 797384.25 | 1544601.50 | - | - | 1501985.67 | 1356653.00 | 1254195.50 | 1688777.00 | 1121268.00 | |
| pseudouridine | 1004029.10 | 903509.33 | 681766.22 | 470887.50 | 482289.00 | 597242.93 | 557887.09 | 861654.00 | 865178.00 | 746386.50 | |
| pyruvate | 82077555.50 | 187853556.92 | 63473422.82 | 251570079.00 | 269739400.00 | 229538721.33 | 129935597.75 | 315938978.50 | 40416568.00 | 44559378.00 | |
| quinate | - | - | 190210.00 | - | - | - | - | 251444.00 | - | - | |
| quinolinate | 566582.30 | 404392.81 | 536087.00 | 343413.50 | 357639.50 | 525217.46 | 498616.00 | 402326.00 | 729498.50 | 157575.50 | |
| saccharin | 29143.00 | 785.60 | 20114.78 | 2238.00 | 213.00 | 16045.80 | 9388.20 | 149411.00 | - | - | |
| salicylurate | 291565.50 | 148.00 | 793444.20 | 394269.50 | 145782.50 | 830172.67 | 312924.18 | 1123482.00 | 570127.00 | - | |
| sebacate | 1541995.70 | 1241468.63 | 1002115.00 | 1006233.25 | 1139700.00 | 1185489.77 | 1229792.55 | 986531.00 | 819891.50 | 869394.50 | |
| sorbitol | 283336.50 | 522751.19 | 607770.17 | 1175997.50 | 1334827.50 | 1162714.07 | 740388.55 | 1284795.50 | 351355.00 | 492603.50 | |
| suberate | 2458015.40 | 2271129.24 | 2093911.89 | 2292979.25 | 2432538.00 | 2143073.29 | 2463412.64 | 1842140.50 | 1800227.00 | 1891435.00 | |
| succinate | 118301281.30 | 132763241.90 | 114706610.22 | 106030248.25 | 107245897.50 | 118090604.71 | 108702401.45 | 142168520.00 | 86233375.50 | 185001814.00 | |
| sucrose/lactose/trehalose | 4093005.10 | 4433403.38 | 44804126.78 | 7833457.75 | 2616542.00 | 6894206.14 | 4011567.09 | 6876243.50 | 1204118.50 | 44667268.50 | |
| tartarate | - | 376820.00 | 8309010.50 | 400742.00 | 106435.00 | 814771.25 | 1369867.50 | 90917.00 | 90887.00 | 83905.00 | |
| taurocholate | - | - | 525532.00 | - | - | - | - | - | 1769012.00 | - | |
| taurodeoxycholate/taurochenodeoxycholate | 42320.33 | 191383.27 | 653396.20 | 303112.75 | 151093.50 | 437502.57 | 262818.09 | 368237.00 | 4095224.00 | - | |
| threitol | 2112770.30 | 2725151.43 | 2770231.33 | 2017214.25 | 1751375.50 | 2741356.57 | 2157972.09 | 3427148.00 | 2258940.50 | 2745726.50 | |
| thymine | 15548.10 | 16074.52 | 12899.83 | 10077.00 | 10417.50 | 13483.71 | 13618.55 | 15533.50 | 14290.50 | 10523.50 | |
| thymine-d4 | 1106075.90 | 1057899.67 | 986634.83 | 896784.50 | 917769.50 | 963411.36 | 926222.82 | 1054496.50 | 1161190.00 | 1155310.50 | |
| UDP | 158130.00 | 238669.83 | 230243.43 | 352718.00 | 275012.00 | 118314.20 | 194725.43 | 110457.00 | - | 314658.00 | |
| UMP | 71697.67 | 274346.27 | 117728.40 | 272193.00 | 120438.00 | 74072.88 | 114908.17 | 102857.00 | 39833.00 | 572350.00 | |
| uracil | 24408096.50 | 23081741.24 | 19808560.83 | 22187853.00 | 19948893.50 | 24679496.07 | 26465416.36 | 44051615.50 | 20514174.50 | 33036027.00 | |
| urate | 1892991.10 | 1607363.10 | 1779947.33 | 1135852.75 | 1298633.50 | 1468534.79 | 1409042.36 | 1951582.50 | 2273705.00 | 1995862.50 | |
| uridine | 1593651.70 | 1136669.43 | 1198362.28 | 1144213.00 | 1038643.50 | 1390221.36 | 1178297.09 | 1831815.50 | 1456503.50 | 745258.50 | |
| valerate/isovalerate | 6796.70 | 3816.81 | 6845.17 | 8542.75 | 4742.00 | 14064.64 | 12696.00 | 1070.50 | 3305.00 | 1381.00 | |
| xanthine | 12644642.60 | 16063456.95 | 11401069.94 | 11277298.50 | 14137676.50 | 10514074.93 | 11496424.18 | 15486986.00 | 11126796.50 | 17629102.50 | |
| xanthurenate | 62455.75 | 54491.00 | 81232.23 | 17189.00 | - | 94807.31 | 52644.67 | 107325.00 | 155297.50 | - |
Factors:
| F1 | collectionWeek:0 | PUCAI_C3_WKall:mild |
| F2 | collectionWeek:0 | PUCAI_C3_WKall:moderate/severe |
| F3 | collectionWeek:12 | PUCAI_C3_WKall:inactive |
| F4 | collectionWeek:12 | PUCAI_C3_WKall:mild |
| F5 | collectionWeek:12 | PUCAI_C3_WKall:moderate/severe |
| F6 | collectionWeek:4 | PUCAI_C3_WKall:inactive |
| F7 | collectionWeek:4 | PUCAI_C3_WKall:mild |
| F8 | collectionWeek:4 | PUCAI_C3_WKall:moderate/severe |
| F9 | collectionWeek:52 | PUCAI_C3_WKall:inactive |
| F10 | collectionWeek:52 | PUCAI_C3_WKall:moderate/severe |
