Data for ST002470
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-HDoHE | 12434.50 | 8834.75 | 2628.59 | 500.75 | 697.50 | 2570.85 | 2016.55 | 56388.00 | 2189.50 | 33342.00 | |
| 10-Hydroxystearic Acid | 34921.00 | 25189.95 | 27447.28 | 22745.00 | 27182.00 | 30820.57 | 30434.45 | 29817.00 | 26136.00 | 21229.00 | |
| 10Z-Heptadecenoic acid | 530823.30 | 311293.50 | 203189.61 | 147458.75 | 65717.00 | 166571.50 | 315120.27 | 265830.00 | 320674.00 | 292091.50 | |
| 11-HDoHE | 68433.78 | 50025.20 | 39309.94 | 22708.33 | 8469.00 | 33440.89 | 26433.56 | 307901.00 | 28088.00 | 149355.00 | |
| 11-HETE | 68095.33 | 46978.31 | 30185.00 | 19831.50 | 5139.00 | 33126.42 | 32538.70 | 566590.50 | 21675.00 | 174556.00 | |
| 12,13-diHOME | 39558.90 | 34055.00 | 20467.11 | 19946.25 | 12817.00 | 20476.64 | 22227.64 | 36089.50 | 40789.00 | 15071.00 | |
| 12-HEPE | 3078.62 | 1074.69 | 984.83 | 130.00 | - | 970.33 | 730.80 | 20459.00 | 884.00 | 7866.00 | |
| 12-HETE | 116613.50 | 55941.45 | 23842.00 | 5601.00 | 8784.50 | 24045.29 | 18452.91 | 1365889.50 | 16500.50 | 124238.00 | |
| 13-HODE | 36326.80 | 21760.05 | 20863.39 | 14441.75 | 9483.50 | 14325.79 | 18412.18 | 57278.50 | 14910.50 | 26403.50 | |
| 15-HETE | 3120.10 | 1873.15 | 1021.50 | 417.25 | 537.00 | 1052.57 | 975.91 | 23546.00 | 708.50 | 4454.00 | |
| 15R-15-methyl PGA2 [iSTD] | 206717.60 | 201933.90 | 197418.00 | 194967.50 | 197848.00 | 197013.07 | 200135.36 | 200036.50 | 204127.00 | 200724.50 | |
| 15R-15-methyl PGF2a [iSTD] | 281246.30 | 272746.20 | 275576.22 | 269633.75 | 267259.50 | 265412.79 | 270765.27 | 272417.50 | 270050.50 | 268282.50 | |
| 15S-15-methyl PGD2 [iSTD] | 95958.90 | 94142.70 | 93628.22 | 91528.75 | 90660.50 | 91899.64 | 92024.00 | 92014.50 | 92270.50 | 88777.50 | |
| 15S-15-methyl PGE1 [iSTD] | 62332.80 | 60550.25 | 60066.33 | 57617.75 | 57016.00 | 58519.36 | 58772.55 | 59554.00 | 61375.50 | 59930.50 | |
| 15S-15-methyl PGE2 [iSTD] | 216740.00 | 213495.95 | 214353.94 | 208460.75 | 209356.50 | 208871.21 | 213705.82 | 214075.50 | 218749.50 | 215868.50 | |
| 17-Methylstearate | 36928.00 | 22737.00 | 14421.83 | 11334.25 | 7757.00 | 15832.00 | 20482.64 | 21650.50 | 31930.00 | 21540.50 | |
| 2-Aminooctanoic acid | 1435.00 | 901.30 | 2064.72 | 1820.75 | 3014.00 | 1401.86 | 1454.45 | 1204.00 | 1977.50 | 744.50 | |
| 2-Hydroxyibuprofen | 171.40 | 263.11 | 129.67 | 216936.00 | - | 14.00 | 83.50 | - | 4880.00 | - | |
| 2-Hydroxymyristic acid | 7264.30 | 5734.80 | 5756.17 | 4662.50 | 3771.50 | 5610.64 | 5379.55 | 5486.50 | 5835.00 | 5343.50 | |
| 2-Hydroxyoctanoic acid | 7675.60 | 8545.70 | 16880.11 | 19750.50 | 18829.50 | 16394.21 | 13897.00 | 21016.00 | 15347.00 | 6533.00 | |
| 2-Hydroxy palmitic acid | 205919.10 | 161252.60 | 175044.39 | 150735.75 | 120372.50 | 157531.29 | 167252.00 | 187137.50 | 167386.00 | 143149.00 | |
| 3-Hydroxydecanoic acid | 18592.70 | 19345.35 | 10629.89 | 7881.25 | 6944.50 | 9761.71 | 12087.73 | 20419.00 | 22579.50 | 10388.00 | |
| 3-Hydroxyoctanoic acid | 8925.80 | 8415.45 | 7038.39 | 4986.75 | 5215.50 | 6007.21 | 6053.45 | 7350.50 | 11367.00 | 4998.50 | |
| 3-Methyladipic acid | 557219.90 | 535010.40 | 404396.72 | 465615.00 | 414155.00 | 475577.93 | 484689.00 | 477212.00 | 226735.00 | 294350.00 | |
| 3S-Hydroxyhexanoic acid | 7728.30 | 7830.20 | 3670.56 | 2508.25 | 3348.50 | 3665.07 | 3872.64 | 5297.00 | 5394.50 | 4055.50 | |
| 4,7,10,13,16-Docosapentaenoic acid | 322683.30 | 182248.65 | 124579.00 | 84643.75 | 35889.50 | 97109.86 | 159480.73 | 321693.00 | 198071.00 | 286120.00 | |
| 5-Dodecenoic acid | 11821.10 | 10746.90 | 5040.56 | 4136.50 | 1637.00 | 3643.14 | 9465.09 | 11171.00 | 7427.00 | 5348.00 | |
| 7-Ketodeoxycholic acid | - | 214775.50 | 28108.90 | 54119.67 | 22071.00 | 146846.70 | 116953.50 | 51794.00 | 15985.00 | 106229.00 | |
| 9,10-DiHOME | 36713.00 | 26059.90 | 8504.94 | 9122.50 | 4753.00 | 7833.71 | 9286.82 | 13042.50 | 34818.00 | 3599.50 | |
| 9-cis-Retinoic acid | 27746.10 | 32221.80 | 23074.67 | 20997.25 | 16283.50 | 20998.57 | 22661.36 | 38781.50 | 34932.50 | 30297.50 | |
| Acesulfame | 701.78 | 3822.53 | 40878.57 | 317.50 | 36713.00 | 34447.92 | 20519.50 | 95.00 | 6066.00 | 234185.00 | |
| Adrenic acid | 340731.20 | 226487.50 | 158160.78 | 115120.25 | 66297.00 | 127860.00 | 170373.09 | 615689.00 | 265063.50 | 554432.50 | |
| alpha-Linolenic acid | 5513896.00 | 2875570.65 | 1134553.72 | 729891.25 | 217394.00 | 999833.14 | 1734337.73 | 1963267.00 | 2550930.50 | 1674170.50 | |
| alpha-N-Phenylacetylglutamine | 91585.70 | 34351.10 | 156628.89 | 190953.25 | 65081.50 | 252848.93 | 175435.55 | 58397.50 | 77877.50 | 149814.00 | |
| Arachidic acid | 512397.90 | 383672.35 | 301696.00 | 258056.50 | 181372.00 | 296699.29 | 343647.55 | 560842.00 | 425670.00 | 356760.50 | |
| Arachidonic acid | 1242317.10 | 787562.35 | 808106.67 | 395682.25 | 297596.00 | 459176.36 | 634870.73 | 3808759.00 | 620461.00 | 2719487.50 | |
| Azelaic acid | 24527.20 | 14411.10 | 22260.56 | 20450.25 | 16133.00 | 22924.71 | 16513.82 | 23887.50 | 9273.50 | 11732.00 | |
| Capric acid | 12462.30 | 17919.95 | 17301.17 | 10185.25 | 18279.00 | 31653.86 | 20540.09 | 21973.50 | 23316.50 | 11426.50 | |
| Caprylic acid | 987.40 | 3544.45 | 1743.89 | 1259.25 | 1941.00 | 2235.14 | 1583.00 | 2100.50 | 1921.50 | 995.50 | |
| Chenodeoxycholic acid | 153132.11 | 424600.94 | 941037.72 | 2546297.25 | 1207862.00 | 2098786.00 | 2072666.18 | 244733.00 | 308792.00 | 78669.50 | |
| Cholic acid | 7134.70 | 24885.95 | 31774.89 | 90832.25 | 70717.00 | 139374.86 | 116130.45 | 29486.50 | 21471.50 | 19258.00 | |
| Cinnamoylglycine | 574533.00 | 210405.22 | 98931.62 | 42286.00 | 85750.00 | 95932.77 | 66350.00 | 19541.00 | 25572.00 | 105663.00 | |
| cis-Erucic acid | 406633.70 | 367011.85 | 340907.06 | 336584.00 | 172065.50 | 336311.79 | 284611.27 | 524596.00 | 483843.00 | 325704.00 | |
| Dehydroepiandrosterone sulfate | 32904.11 | 26770.06 | 43991.17 | 15468.00 | 15301.00 | 28476.30 | 19623.00 | 2309.00 | 23897.00 | 9955.50 | |
| Deoxycholic acid | 331821.60 | 320405.92 | 3050159.18 | 2761385.00 | 2098022.00 | 5678253.54 | 2988247.60 | - | 699754.00 | 524240.50 | |
| Docosahexaenoic acid | 1150765.40 | 804543.65 | 597595.06 | 525824.00 | 256235.50 | 349588.07 | 718195.09 | 946665.00 | 669256.50 | 623265.00 | |
| Dodecanedioic acid | 47009.30 | 23741.00 | 25580.83 | 12148.50 | 14366.50 | 26611.36 | 20201.18 | 25306.50 | 23642.50 | 24459.00 | |
| Eicosadienoic acid | 842673.10 | 655386.25 | 383374.33 | 370262.50 | 125351.00 | 338344.00 | 544784.09 | 1008073.00 | 806280.00 | 785938.50 | |
| Eicosanedioic acid | 22709.20 | 12450.30 | 34790.61 | 26140.50 | 28217.00 | 31295.00 | 39846.64 | 40000.00 | 20220.00 | 9159.50 | |
| Eicosapentaenoic acid | 74172.40 | 38933.85 | 54485.94 | 36109.75 | 15453.50 | 47711.07 | 58827.45 | 141018.00 | 35734.00 | 101671.00 | |
| Eicosatrienoic acid | 377236.60 | 214507.45 | 215309.28 | 116787.75 | 60455.00 | 170625.50 | 227338.18 | 708597.50 | 352258.50 | 415223.00 | |
| Eicosenoic acid | 980981.40 | 840365.85 | 502528.94 | 492361.25 | 241516.00 | 436887.36 | 644731.55 | 960120.00 | 882932.00 | 885689.00 | |
| Glycochenodeoxycholic acid | 246455.60 | 703171.75 | 2004298.28 | 2537790.00 | 2869758.50 | 2316085.07 | 1857534.91 | 3545396.00 | 3661497.00 | 703325.00 | |
| Glycocholic acid | 50852.50 | 218579.50 | 455627.50 | 600052.75 | 898257.00 | 659966.36 | 610923.82 | 1352339.00 | 1965578.00 | 371688.00 | |
| Glycodeoxycholic acid | 40028.70 | 49420.83 | 440671.50 | 261523.00 | 134627.00 | 471656.86 | 253190.64 | 11468.50 | 250106.50 | 39753.00 | |
| Glycolithocholic acid | 2357.75 | 688.64 | 16699.61 | 28812.50 | 59482.00 | 16780.25 | 12270.50 | 5.00 | 15508.50 | 1833.50 | |
| Glycoursodeoxycholic acid | 21264.30 | 40639.50 | 307717.28 | 107570.75 | 87300.00 | 268138.29 | 179178.27 | 676397.00 | 100771.00 | 33516.50 | |
| Hexadecanedioic acid | 85223.80 | 50664.75 | 39912.50 | 28848.50 | 29967.50 | 48365.07 | 45067.18 | 95172.50 | 47054.00 | 80608.00 | |
| Hexose | 205128.90 | 169992.40 | 223437.89 | 158982.50 | 105889.50 | 195165.50 | 176842.91 | 40829.00 | 247048.00 | 192829.00 | |
| Hydrocinnamic acid | 135394.25 | 155608.07 | 163959.22 | 157990.25 | 95897.00 | 153113.64 | 123577.00 | 21924.00 | 94376.50 | 93353.00 | |
| Hyodeoxycholic acid | 212420.75 | 273783.67 | 549965.94 | 234404.25 | 225115.00 | 669594.69 | 362231.91 | 136253.00 | 209753.50 | 67913.00 | |
| Ibuprofen | 578.88 | 641.00 | 262.50 | 830910.00 | - | 97.12 | 206.00 | 793.00 | 2467.00 | 225.50 | |
| Indoleacetic acid | 4677.10 | 3133.45 | 11750.06 | 7227.50 | 3716.00 | 11060.00 | 9095.82 | 6112.50 | 10983.00 | 5599.00 | |
| Juniperic acid | 110304.00 | 99522.95 | 71771.61 | 71999.50 | 39048.50 | 77022.50 | 97906.36 | 161224.00 | 76813.50 | 122023.50 | |
| Lauric acid | 122230.50 | 75498.30 | 157262.17 | 41146.50 | 40650.50 | 126535.79 | 92047.55 | 173075.50 | 121024.50 | 112641.00 | |
| Levulinic acid | 88691.20 | 76161.95 | 90934.72 | 88519.25 | 73069.50 | 142971.86 | 141551.00 | 295551.00 | 85203.50 | 56483.00 | |
| Linoleic acid | 32196954.50 | 23223501.85 | 13748627.39 | 11540974.25 | 5540612.50 | 11439689.00 | 17578032.00 | 21674751.50 | 20674222.00 | 17209316.00 | |
| Mandelic acid | 10464.40 | 12685.10 | 17151.06 | 13622.00 | 9321.00 | 16641.50 | 15232.91 | 75723.50 | 1377.00 | 346.50 | |
| Margaric acid | 1718882.70 | 1567948.80 | 1100846.39 | 1034655.00 | 420505.50 | 914576.43 | 1532492.64 | 1903616.00 | 2229456.50 | 1642220.50 | |
| Methyl dodecanoate | 3446.10 | 2830.60 | 2917.33 | 3088.75 | 2266.50 | 3659.36 | 3719.91 | 2837.50 | 3000.00 | 2739.50 | |
| Myristic acid | 1138975.80 | 611095.10 | 659948.83 | 328313.50 | 263306.50 | 670945.93 | 815327.64 | 797919.50 | 1034127.50 | 616882.00 | |
| Myristoleic acid | 119384.20 | 64091.95 | 55987.17 | 36551.75 | 14217.50 | 51815.64 | 83118.27 | 51940.50 | 89778.00 | 46430.00 | |
| N-Acetylalanine | 3528.90 | 3614.80 | 3334.56 | 3192.75 | 3310.00 | 3352.07 | 3180.45 | 5900.50 | 3229.00 | 3043.50 | |
| Nervonic acid | 327172.70 | 271611.35 | 240997.72 | 215226.50 | 126864.00 | 247233.93 | 260453.91 | 400610.00 | 281976.50 | 279135.50 | |
| N-Formylmethionine | 1680.50 | 1739.25 | 1528.83 | 1377.25 | 1352.00 | 1349.36 | 1377.36 | 2275.00 | 1384.00 | 1810.00 | |
| Nonadeca-10Z-enoic acid | 397257.00 | 252019.15 | 127880.28 | 94090.75 | 51900.00 | 118579.86 | 207005.09 | 207976.00 | 302282.50 | 250093.50 | |
| Nonadecylic acid | 66026.60 | 45467.55 | 30916.00 | 21613.00 | 13415.50 | 29013.79 | 35064.55 | 50963.50 | 51444.50 | 32166.00 | |
| Oleic acid | 37050032.00 | 29132566.70 | 19536578.89 | 17727435.00 | 10438415.00 | 16280145.36 | 27665225.82 | 28361397.00 | 31466591.50 | 30203518.00 | |
| Oxypurinol | 54126.40 | 78746.50 | 58034.28 | 69790.25 | 77682.50 | 51573.21 | 56230.45 | 91449.50 | 52276.00 | 53303.00 | |
| Palmitic acid | 1127360778.80 | 960846682.05 | 781422205.67 | 695782251.50 | 555127644.50 | 742283258.43 | 920641922.18 | 1224542049.00 | 1086519369.00 | 1029707788.50 | |
| Palmitoleic acid | 4038084.20 | 2441280.65 | 1600157.72 | 1184496.00 | 314489.00 | 1152019.00 | 2412307.45 | 1937766.00 | 2040002.00 | 2262862.50 | |
| Palmitoyl-EA | 34312.80 | 19025.35 | 10900.83 | 6582.00 | 19672.50 | 29254.21 | 18118.82 | 23847.50 | 18462.50 | 19136.50 | |
| Pantoprazole | 84.25 | 26180.25 | 73.27 | 66.50 | - | 308497.00 | 265642.71 | - | 49.50 | 254202.00 | |
| Pentadecylic acid | 401821.80 | 250561.55 | 227599.61 | 131666.50 | 150390.50 | 222647.57 | 284985.73 | 325206.00 | 389096.50 | 281515.00 | |
| Phenyllactic acid | 12631.70 | 13064.85 | 26095.67 | 18325.50 | 14495.00 | 29300.57 | 25682.55 | 24543.00 | 74470.00 | 12891.00 | |
| p-Hydroxyphenylacetic acid | 556.00 | 270.75 | 604.17 | 563.00 | 297.00 | 1194.43 | 902.09 | 634.50 | 1463.50 | 993.50 | |
| Phytanic acid | 98787.80 | 43084.05 | 62429.94 | 25001.25 | 95154.50 | 89940.93 | 68422.91 | 70111.50 | 100081.50 | 39075.00 | |
| Ribothymidine | 3224.10 | 5003.20 | 4268.06 | 3286.75 | 4653.00 | 4580.50 | 4420.27 | 11164.50 | 5358.50 | 2463.00 | |
| Saccharin | 16036.30 | 943.15 | 10224.78 | 1949.75 | 534.00 | 5237.93 | 4977.45 | 62224.50 | 647.00 | 529.00 | |
| Salicylic acid | 2698.30 | 3054.55 | 19519.67 | 16670.50 | 12485.00 | 18406.29 | 11121.73 | 10012.00 | 5551.00 | 2389.00 | |
| Salicyluric acid | 25212.29 | 33628.92 | 294366.35 | 235217.50 | 149210.00 | 208923.93 | 115533.09 | 247137.00 | 78371.50 | - | |
| Sebacic acid | 15795.20 | 10025.45 | 7230.28 | 5382.00 | 5892.00 | 8281.00 | 7433.45 | 10457.00 | 5516.50 | 6832.50 | |
| Sphingosine 1-phosphate | 671737.20 | 617430.10 | 974008.61 | 960412.75 | 774614.50 | 929549.79 | 905851.73 | 1043375.00 | 778474.00 | 717391.50 | |
| Stearic acid | 323090472.60 | 302926981.65 | 235910334.50 | 202937152.75 | 223301073.00 | 248421841.07 | 264370673.55 | 363145700.50 | 360453485.00 | 420194855.00 | |
| Taurochenodeoxycholic acid | 50370.50 | 146264.80 | 430479.61 | 279723.50 | 161597.50 | 392692.93 | 244069.55 | 224947.00 | 1461366.50 | 95571.50 | |
| Taurocholic acid | 8229.90 | 42351.00 | 91639.83 | 49178.00 | 51940.50 | 97303.43 | 82248.64 | 55491.00 | 719137.50 | 47921.50 | |
| Taurodeoxycholic acid | 8631.30 | 14474.45 | 128174.44 | 71747.25 | 26691.50 | 93181.86 | 55029.45 | 123.00 | 134629.50 | 8457.50 | |
| Taurohyodeoxycholic acid | 916.43 | 1691.41 | 19901.06 | 2824.25 | 1716.00 | 8937.69 | 6365.09 | 17886.00 | 8292.50 | 381.50 | |
| Taurolithocholic acid | 31424.00 | 18079.53 | 84492.71 | 28217.00 | 19210.00 | 32341.15 | 25212.45 | - | 349667.00 | 17081.00 | |
| Tetradecanedioic acid | 67790.90 | 32966.10 | 27004.61 | 18586.50 | 22596.00 | 37439.57 | 34496.91 | 53426.00 | 39828.00 | 40143.50 | |
| Theophylline | 30369.50 | 27222.70 | 28771.94 | 27856.25 | 45278.00 | 33387.29 | 50589.09 | 30041.50 | 28993.50 | 17955.50 | |
| Tridecylic acid | 8193.70 | 6022.30 | 6496.61 | 4470.75 | 4196.00 | 7606.00 | 6780.45 | 6792.50 | 7755.50 | 5353.50 | |
| undecanedionate | 6967.80 | 6653.80 | 6874.06 | 5848.25 | 6845.50 | 6546.00 | 6490.64 | 7119.50 | 5394.00 | 4980.00 |
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 |
