Data for ST000899
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-heptadecenoate (17:1n7) | 71210129.30 | 21346742.00 | 49151213.90 | |
| 10-nonadecenoate (19:1n9) | 24210996.50 | 7498881.15 | 21391170.10 | |
| 10-undecenoate (11:1n1) | 3377519.10 | 2051929.60 | 3643531.10 | |
| 1-(1-enyl-stearoyl)-GPE (P-18:0) | 3004745.10 | 2837029.65 | 3021859.70 | |
| 12,13-DiHOME | 277961.30 | 157235.60 | 600670.20 | |
| 1,2,3-benzenetriol sulfate (2) | 142652.50 | 105995.56 | 109534.50 | |
| 12-HETE | 1120610.30 | 1692447.90 | 1997832.95 | |
| 1,3,7-trimethylurate | 174629.14 | 314649.07 | 187723.00 | |
| 1,3-dimethylurate | 167494.37 | 136215.78 | 135450.80 | |
| 13-HODE + 9-HODE | 2960628.30 | 1100782.90 | 4987681.20 | |
| 13-methylmyristate | 11620208.50 | 7433686.25 | 12330719.50 | |
| 1,5-anhydroglucitol (1,5-AG) | 54395230.30 | 33982222.80 | 53603478.10 | |
| 15-methylpalmitate | 38060194.75 | 18712428.60 | 36902015.90 | |
| 16a-hydroxy DHEA 3-sulfate | 1493936.75 | 784838.05 | 1163312.90 | |
| 16-hydroxypalmitate | 1896274.40 | 853626.85 | 1647382.45 | |
| 17alpha-hydroxypregnenolone sulfate | 32820.33 | 48141.17 | 39089.12 | |
| 1,7-dimethylurate | 612591.37 | 426274.60 | 438137.14 | |
| 17-methylstearate | 2691971.90 | 1517356.25 | 2827842.30 | |
| 1-arachidonoyl-GPI (20:4) | 12980567.05 | 7518336.30 | 9680030.00 | |
| 1-arachidonylglycerol (20:4) | 16242003.15 | 12152376.25 | 13112526.00 | |
| 1-dihomo-linolenylglycerol (20:3) | 4629358.75 | 5438435.25 | 4900684.45 | |
| 1-dihomo-linoleoylglycerol (20:2) | 704218.85 | 590172.35 | 613227.55 | |
| 1-docosahexaenoylglycerol (22:6) | 1842577.25 | 969214.25 | 1714000.65 | |
| 1-hydroxy-2-naphthalenecarboxylate | - | 15136.00 | 1302731.00 | |
| 1-linolenoylglycerol (18:3) | 1573526.90 | 1889572.30 | 1631123.90 | |
| 1-linoleoylglycerol (18:2) | 81174034.60 | 95401694.20 | 86529799.80 | |
| 1-linoleoyl-GPA (18:2) | 3056101.10 | 3403603.35 | 3159587.80 | |
| 1-linoleoyl-GPI (18:2) | 5508043.55 | 3517351.80 | 4218187.65 | |
| 1-methylhistidine | 208198.20 | 124965.50 | 177162.70 | |
| 1-methylurate | 753353.40 | 878217.45 | 550545.50 | |
| 1-methylxanthine | 443984.00 | 648397.74 | 545353.55 | |
| 1-myristoylglycerol (14:0) | 2097540.80 | 3888846.05 | 2444299.35 | |
| 1-oleoylglycerol (18:1) | 61630216.10 | 56650459.50 | 60466552.50 | |
| 1-oleoyl-GPA (18:1) | 437294.64 | 393734.12 | 425050.15 | |
| 1-oleoyl-GPI (18:1) | 1658156.35 | 1781471.55 | 1328208.00 | |
| 1-palmitoleoylglycerol (16:1) | 8290692.30 | 8368274.75 | 8801234.70 | |
| 1-palmitoylglycerol (16:0) | 52275897.30 | 48253550.00 | 49888211.00 | |
| 1-palmitoyl-GPA (16:0) | 1848777.20 | 1564451.75 | 1645402.45 | |
| 1-palmitoyl-GPG (16:0) | 103271.25 | 104410.71 | 80472.38 | |
| 1-palmitoyl-GPI (16:0) | 2577308.55 | 1909441.75 | 2081373.00 | |
| 1-stearoyl-GPI (18:0) | 11574056.25 | 7425879.20 | 9322299.15 | |
| 21-hydroxypregnenolone disulfate | 489139.90 | 423546.00 | 415093.35 | |
| 2-aminoadipate | 113281.75 | 73629.05 | 82202.20 | |
| 2-aminobutyrate | 950101.45 | 434894.00 | 708419.80 | |
| 2-aminophenol sulfate | 59498.67 | 205721.78 | 128286.50 | |
| 2-arachidonoylglycerol (20:4) | 2042992.37 | 1654908.50 | 1739956.80 | |
| 2^-deoxyuridine | 75704.55 | 31222.42 | 58380.40 | |
| 2-hydroxy-3-methylvalerate | 370537.90 | 368957.75 | 304235.75 | |
| 2-hydroxyacetaminophen sulfate | 1402841.50 | 2448234.12 | 1250777.50 | |
| 2-hydroxydecanoate | 1032323.70 | 1389474.70 | 952371.15 | |
| 2-hydroxyhippurate (salicylurate) | 960463.07 | 550622.91 | 6775784.33 | |
| 2-hydroxyoctanoate | 239737.35 | 297554.00 | 204873.60 | |
| 2-hydroxypalmitate | 53895189.00 | 34194374.30 | 52177060.00 | |
| 2-hydroxystearate | 13824700.90 | 9371526.50 | 13257285.30 | |
| 2-linoleoylglycerol (18:2) | 8411035.75 | 10931776.55 | 9273637.65 | |
| 2-methoxyacetaminophen glucuronide | 924614.00 | 1046971.71 | 1162258.50 | |
| 2-methoxyacetaminophen sulfate | 1227103.00 | 1285237.14 | 1188635.60 | |
| 2-methoxyresorcinol sulfate | 39021.00 | 120841.12 | 332770.00 | |
| 2-methylcitrate/homocitrate | 331620.75 | 269512.25 | 290243.60 | |
| 2-oleoylglycerol (18:1) | 4662557.55 | 3844935.45 | 4714009.30 | |
| 2-palmitoleoylglycerol (16:1) | 1187501.31 | 1188630.32 | 1249951.38 | |
| 2-palmitoylglycerol (16:0) | 6594107.70 | 6300521.70 | 6074352.95 | |
| 2-stearoyl-GPE (18:0) | 626271.85 | 592177.30 | 632768.05 | |
| 3-(4-hydroxyphenyl)lactate | 4325786.30 | 2890830.05 | 3507368.05 | |
| 3,7-dimethylurate | 30878.57 | 63135.06 | 25797.50 | |
| 3b-hydroxy-5-cholenoic acid | 69697.13 | 42576.56 | 52376.12 | |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 19759557.55 | 3463625.35 | 16178475.30 | |
| 3-hydroxydecanoate | 2338210.05 | 812127.70 | 1478614.40 | |
| 3-hydroxyhexanoate | 551212.70 | 167713.10 | 417181.85 | |
| 3-hydroxyhippurate | 59393.75 | 364340.57 | 31167.50 | |
| 3-hydroxylaurate | 2371853.55 | 803599.90 | 1343415.85 | |
| 3-hydroxymyristate | 2626510.45 | 945484.75 | 1436291.85 | |
| 3-hydroxyoctanoate | 1050467.85 | 388431.95 | 745625.20 | |
| 3-hydroxypyridine sulfate | 261618.85 | 1157416.37 | 246765.62 | |
| 3-hydroxysebacate | 371292.16 | 82604.36 | 348842.65 | |
| 3-indoxyl sulfate | 6891953.90 | 19983677.47 | 6374121.35 | |
| 3-methoxycatechol sulfate (2) | 554901.43 | 411981.17 | 462815.50 | |
| 3-methyl-2-oxobutyrate | 5466507.85 | 3018100.50 | 4648077.65 | |
| 3-methyl-2-oxovalerate | 18538508.00 | 11573798.45 | 16257725.25 | |
| 3-methyl catechol sulfate (1) | 128925.90 | 756187.61 | 230690.50 | |
| 3-methylhistidine | 1681416.65 | 2734015.65 | 1853648.95 | |
| 3-methylxanthine | 613957.05 | 1037625.05 | 556661.50 | |
| 3-(N-acetyl-L-cystein-S-yl) acetaminophen | 285043.00 | 557992.50 | 350267.25 | |
| 3-phenylpropionate (hydrocinnamate) | 85138.33 | 115821.00 | 82445.00 | |
| 4-acetamidobutanoate | 139317.10 | 97390.35 | 116944.90 | |
| 4-acetamidophenol | 687505.50 | 4525918.57 | 2443567.14 | |
| 4-acetamidophenylglucuronide | 3580777.50 | 14787269.78 | 6355365.75 | |
| 4-acetaminophen sulfate | 2452164.33 | 12163393.00 | 6016011.00 | |
| 4-allylphenol sulfate | 1208523.10 | 297921.35 | 394615.75 | |
| 4-androsten-3alpha,17alpha-diol monosulfate (2) | 111598.75 | 119658.33 | 152734.69 | |
| 4-androsten-3alpha,17alpha-diol monosulfate (3) | 864658.00 | 860386.58 | 981323.15 | |
| 4-androsten-3beta,17beta-diol disulfate (1) | 17312230.45 | 15133597.90 | 10345489.45 | |
| 4-androsten-3beta,17beta-diol disulfate (2) | 4795872.00 | 3409427.55 | 4045268.35 | |
| 4-androsten-3beta,17beta-diol monosulfate (1) | 1358069.65 | 1332834.10 | 1024776.55 | |
| 4-androsten-3beta,17beta-diol monosulfate (2) | 221606.90 | 258427.47 | 179496.20 | |
| 4-ethylphenylsulfate | 162435.95 | 459000.65 | 277025.07 | |
| 4-hydroxychlorothalonil | 3936132.50 | 1955093.65 | 1463221.55 | |
| 4-hydroxyhippurate | 346564.85 | 310663.65 | 650210.56 | |
| 4-hydroxyphenylacetate | 81704.25 | 303189.90 | 162015.50 | |
| 4-hydroxyphenylpyruvate | 75864.55 | 73391.00 | 61629.53 | |
| 4-methyl-2-oxopentanoate | 34346034.30 | 19017180.50 | 28926112.65 | |
| 4-methylcatechol sulfate | 560882.29 | 3969174.90 | 744929.10 | |
| 4-vinylphenol sulfate | 1198129.20 | 3369200.35 | 1007846.42 | |
| 5,6-dihydrothymine | 48456.95 | 27647.62 | 41363.58 | |
| 5alpha-androstan-3alpha,17beta-diol disulfate | 258137.89 | 178980.38 | 295941.40 | |
| 5alpha-androstan-3alpha,17beta-diol monosulfate (1) | 258526.63 | 192207.50 | 185169.44 | |
| 5alpha-androstan-3alpha,17beta-diol monosulfate (2) | 1333527.62 | 785174.25 | 1394665.11 | |
| 5alpha-androstan-3beta,17alpha-diol disulfate | 197304.84 | 78996.56 | 126258.22 | |
| 5alpha-androstan-3beta,17beta-diol disulfate | 3081817.15 | 2034541.00 | 2125403.26 | |
| 5alpha-androstan-3beta,17beta-diol monosulfate (2) | 127877.71 | 89740.25 | 72088.06 | |
| 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate | 75925.23 | 163154.54 | 386929.08 | |
| 5alpha-pregnan-3beta,20alpha-diol disulfate | 524728.00 | 1004636.25 | 1285251.30 | |
| 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) | 122473.67 | 453412.29 | 751691.25 | |
| 5alpha-pregnan-3beta,20beta-diol monosulfate (1) | 91005.17 | 259822.41 | 595484.67 | |
| 5-bromotryptophan | 462148.90 | 313411.10 | 457820.35 | |
| 5-dodecenoate (12:1n7) | 8810377.25 | 2750923.40 | 5729881.95 | |
| 5-hydroxyhexanoate | 58884.53 | 42338.15 | 69355.44 | |
| 5-methyluridine (ribothymidine) | 221566.20 | 165545.30 | 215704.10 | |
| 5-oxoproline | 20874753.20 | 15637007.30 | 21304530.40 | |
| 6-hydroxyindole sulfate | 208895.95 | 712037.37 | 196087.20 | |
| 6-oxopiperidine-2-carboxylic acid | 125971.05 | 97471.95 | 112814.70 | |
| 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) | 2808245.40 | 3575324.45 | 2464438.30 | |
| 7-methylurate | 264059.11 | 593489.10 | 236379.00 | |
| 9,10-DiHOME | 367546.90 | 142921.00 | 962529.95 | |
| 9-hydroxystearate | 1146196.32 | 721101.16 | 1111710.65 | |
| acesulfame | 1536290.00 | 4468863.38 | 483748.30 | |
| acisoga | 64779.30 | 34617.59 | 68073.65 | |
| aconitate [cis or trans] | 4659571.85 | 3030257.35 | 3622047.65 | |
| adrenate (22:4n6) | 61469785.10 | 19780704.55 | 35982331.40 | |
| alpha-hydroxycaproate | 60634.89 | 65221.67 | 56068.30 | |
| alpha-hydroxyisocaproate | 409432.00 | 214807.75 | 341716.90 | |
| alpha-hydroxyisovalerate | 3231371.30 | 2575858.25 | 2365270.45 | |
| alpha-ketobutyrate | 386834.75 | 151140.86 | 266140.79 | |
| andro steroid monosulfate (1) | 123866.60 | 90475.38 | 110088.06 | |
| androsterone sulfate | 8746179.20 | 5794280.25 | 6804948.75 | |
| arachidate (20:0) | 12975491.45 | 9820743.70 | 16312785.25 | |
| arachidonate (20:4n6) | 387862384.80 | 248445881.60 | 305417738.40 | |
| aspartate | 1868911.45 | 1602682.80 | 1645892.45 | |
| azelate (nonanedioate) | 471739.50 | 282955.85 | 586247.30 | |
| benzoate | 1250678.35 | 1237535.50 | 1251668.90 | |
| beta-hydroxyisovalerate | 595808.10 | 1673015.70 | 477528.85 | |
| bilirubin (E,E) | 5467035.20 | 2437223.30 | 4356669.35 | |
| bilirubin (Z,Z) | 3954997.10 | 2069330.80 | 3177407.20 | |
| biliverdin | 488379.65 | 134775.70 | 486450.90 | |
| butyrylglycine | 33318.67 | 44857.56 | 36434.82 | |
| caprate (10:0) | 9026356.05 | 7597262.35 | 8562230.90 | |
| caproate (6:0) | 524779.30 | 445336.78 | 504506.28 | |
| caprylate (8:0) | 2061718.20 | 1699554.50 | 1836459.60 | |
| catechol sulfate | 628510.70 | 5634075.40 | 377671.19 | |
| celecoxib | - | 41875872.00 | - | |
| C-glycosyltryptophan | 222803.50 | 142879.60 | 208810.00 | |
| chenodeoxycholate | 2822476.15 | 5097417.40 | 1002950.60 | |
| cinnamoylglycine | 241399.70 | 131128.56 | 79470.00 | |
| citrate | 85890525.60 | 49437794.20 | 59553659.60 | |
| cortisol | 1366297.65 | 551567.00 | 983700.94 | |
| cortisone | 266506.44 | 134570.89 | 183042.53 | |
| cysteine s-sulfate | 152120.70 | 188885.85 | 140382.20 | |
| cytidine | 64991.90 | 54773.95 | 83736.30 | |
| dehydroisoandrosterone sulfate (DHEA-S) | 19022958.35 | 15609828.70 | 14174697.15 | |
| deoxycholate | 3252895.00 | 3945269.60 | 610735.15 | |
| dihomo-linoleate (20:2n6) | 71858234.50 | 24488400.80 | 55476743.60 | |
| dihomo-linolenate (20:3n3 or n6) | 82322877.20 | 60882624.40 | 73061841.40 | |
| dihydroferulic acid | - | 139496.90 | - | |
| docosadienoate (22:2n6) | 1891379.25 | 808038.45 | 1847663.20 | |
| docosahexaenoate (DHA; 22:6n3) | 157146964.00 | 58127532.80 | 125967287.80 | |
| docosapentaenoate (n3 DPA; 22:5n3) | 54172932.90 | 20442715.30 | 40679352.00 | |
| docosapentaenoate (n6 DPA; 22:5n6) | 21334704.50 | 11536156.45 | 18800434.70 | |
| docosatrienoate (22:3n3) | 1330004.79 | 619128.18 | 1066381.74 | |
| dodecanedioate | 1133921.80 | 448753.40 | 1207351.50 | |
| dopamine sulfate (2) | 57936.70 | 71818.10 | 70291.95 | |
| DSGEGDFXAEGGGVR | 17672756.00 | 14866657.45 | 19137096.30 | |
| eicosanodioate | 616241.65 | 730922.70 | 687845.70 | |
| eicosapentaenoate (EPA; 20:5n3) | 31947213.30 | 14247427.05 | 27570870.25 | |
| eicosenoate (20:1) | 72365956.60 | 22597977.35 | 66087760.50 | |
| epiandrosterone sulfate | 3032165.55 | 1672680.15 | 1917744.55 | |
| erucate (22:1n9) | 4239817.35 | 2120446.20 | 4687275.90 | |
| ethyl glucuronide | 48729.38 | 2873223.00 | 98977.55 | |
| etiocholanolone glucuronide | 232976.85 | 129410.84 | 165735.67 | |
| eugenol sulfate | 232100.67 | 225038.07 | 116453.70 | |
| gamma-CEHC | 237503.90 | 369363.85 | 147862.85 | |
| gamma-CEHC glucuronide | 37111.60 | 38675.83 | - | |
| gamma-glutamylisoleucine | 72360.05 | 50272.70 | 66188.37 | |
| gamma-glutamylmethionine | 123670.40 | 109363.45 | 103776.95 | |
| gamma-glutamyltryptophan | 54570.84 | 35608.12 | 46630.65 | |
| gamma-glutamyltyrosine | 109999.55 | 81376.95 | 90154.90 | |
| glycerol | 1809789.35 | 819081.80 | 1486624.05 | |
| glycerophosphoinositol | 479224.50 | 320843.10 | 361639.15 | |
| glycochenodeoxycholate | 3154576.05 | 9461153.85 | 2531231.55 | |
| glycochenodeoxycholate glucuronide (1) | 162704.90 | 265068.55 | 77005.38 | |
| glycochenodeoxycholate glucuronide (2) | 697101.31 | 167244.00 | 174111.17 | |
| glycochenodeoxycholate sulfate | 225067.05 | 473074.68 | 233530.83 | |
| glycocholate | 508150.95 | 2269159.40 | 825175.10 | |
| glycocholenate sulfate | 2642987.20 | 1691710.20 | 2593958.75 | |
| glycodeoxycholate | 1174389.44 | 3026427.27 | 490754.87 | |
| glycodeoxycholate sulfate | 269865.39 | 419963.43 | 155281.33 | |
| glycohyocholate | 39075.80 | 116731.07 | 85744.70 | |
| glycolithocholate | 85804.67 | 610743.20 | - | |
| glycolithocholate sulfate | 1429875.45 | 946155.41 | 584884.17 | |
| glycoursodeoxycholate | 714755.95 | 1828948.40 | 558300.65 | |
| guanosine | 990975.37 | 828761.10 | 769881.35 | |
| hexadecanedioate | 1742123.35 | 417587.25 | 1457226.90 | |
| hippurate | 2285016.35 | 5458994.75 | 1592724.90 | |
| homocitrulline | 276490.37 | 130572.80 | 180826.95 | |
| hydrochlorothiazide | 1590244.20 | - | - | |
| hydroquinone sulfate | 58200.83 | 131712.38 | 61748.50 | |
| hypoxanthine | 4672502.20 | 3050890.85 | 5568373.20 | |
| ibuprofen | 1444034.33 | 711346.33 | 557375.00 | |
| indoleacetate | 872512.40 | 1844520.80 | 867124.65 | |
| indolelactate | 3581307.00 | 3740430.10 | 3035695.75 | |
| inosine | 4766462.15 | 4547149.85 | 4916439.75 | |
| isobutyrylglycine | 23750.31 | 30012.86 | 26027.38 | |
| isoeugenol sulfate | 29885.00 | 84568.92 | 53119.17 | |
| isovalerate | 682868.80 | 366136.20 | 546357.85 | |
| isovalerylglycine | 65551.00 | 124139.00 | 87968.67 | |
| I-urobilinogen | 233638.20 | 162664.86 | 142004.75 | |
| lactate | 153656173.20 | 136776898.80 | 138906992.80 | |
| laurate (12:0) | 49876258.50 | 40980140.05 | 50188591.10 | |
| linoleate (18:2n6) | 3190989920.00 | 1372617472.00 | 2758133177.60 | |
| linolenate [alpha or gamma; (18:3n3 or 6)] | 379008168.00 | 115755448.40 | 326524120.80 | |
| linoleoyl ethanolamide | 282970.35 | 144638.45 | 273654.05 | |
| malate | 6732844.20 | 4624575.85 | 6591474.20 | |
| margarate (17:0) | 80656192.60 | 32130360.35 | 65238469.20 | |
| mead acid (20:3n9) | 8149108.80 | 4299132.20 | 6749497.10 | |
| methyl-4-hydroxybenzoate sulfate | 4297001.32 | 356691.60 | 5029614.33 | |
| methyl glucopyranoside (alpha + beta) | 122264.12 | 88882.27 | 90547.14 | |
| myristate (14:0) | 322478757.20 | 149214209.80 | 273065087.60 | |
| myristoleate (14:1n5) | 59442835.50 | 16940213.05 | 39839778.25 | |
| N-(2-furoyl)glycine | 31096.67 | 302205.27 | 22361.50 | |
| N6-acetyllysine | 402287.60 | 283269.35 | 351895.15 | |
| N6-carbamoylthreonyladenosine | 83344.05 | 55587.25 | 78042.35 | |
| N6-succinyladenosine | 44824.60 | 32218.44 | 42832.05 | |
| N-acetyl-beta-alanine | 210504.95 | 157642.85 | 218138.60 | |
| N-acetylcitrulline | 73621.50 | 118365.10 | 98326.00 | |
| N-acetylglutamine | 138869.65 | 124422.70 | 144667.10 | |
| N-acetylglycine | 1893497.15 | 815631.05 | 1650911.05 | |
| N-acetylhistidine | 87595.00 | 70348.45 | 79923.95 | |
| N-acetylisoleucine | 87547.95 | 65717.30 | 83349.05 | |
| N-acetylleucine | 94502.10 | 64780.00 | 81792.65 | |
| N-acetylmethionine | 346520.05 | 221356.15 | 318601.55 | |
| N-acetylphenylalanine | 137754.90 | 121746.65 | 124075.80 | |
| N-acetyltaurine | 460239.25 | 408481.00 | 384798.05 | |
| N-acetyltryptophan | 133677.95 | 134938.90 | 137480.90 | |
| N-acetyltyrosine | 57606.05 | 44699.72 | 50243.21 | |
| N-acetylvaline | 144781.95 | 98494.15 | 125021.35 | |
| N-formylmethionine | 651738.70 | 431602.75 | 565761.65 | |
| N-formylphenylalanine | 42656.71 | 38744.60 | 48600.93 | |
| N-linoleoylglycine | 170566.33 | 89401.60 | 175241.39 | |
| N-oleoyltaurine | 206932.00 | 110086.83 | 179469.33 | |
| nonadecanoate (19:0) | 4630254.85 | 2918926.05 | 4983110.10 | |
| N-palmitoylglycine | 401220.20 | 226898.45 | 416346.65 | |
| o-cresol sulfate | 108890.20 | 256987.25 | 193269.43 | |
| octadecanedioate | 1580801.55 | 693850.42 | 2097511.50 | |
| oleate/vaccenate (18:1) | 5108447091.20 | 2040382096.00 | 4340882419.20 | |
| olmesartan | 6763097.00 | - | - | |
| omeprazole | - | 892332.75 | 23565.00 | |
| O-methylcatechol sulfate | 217250.27 | 929917.45 | 163786.60 | |
| O-sulfo-L-tyrosine | 988149.25 | 629769.40 | 878814.50 | |
| oxalate (ethanedioate) | 8018990.60 | 6440042.30 | 7221265.10 | |
| palmitate (16:0) | 3418287129.60 | 1723657270.40 | 2922685292.80 | |
| palmitic amide | 31089517.75 | 28878522.05 | 28903743.95 | |
| palmitoleate (16:1n7) | 855168265.60 | 256130360.80 | 604026328.00 | |
| palmitoyl ethanolamide | 949337.10 | 624988.15 | 880047.90 | |
| pantothenate | 1257089.95 | 889830.30 | 1301533.75 | |
| paraxanthine | 779786.47 | 992604.10 | 771991.21 | |
| p-cresol-glucuronide | 97350.14 | 641346.83 | 221898.00 | |
| p-cresol sulfate | 28190851.45 | 88923896.75 | 22440914.80 | |
| pentadecanoate (15:0) | 50450245.40 | 33169632.40 | 44396351.00 | |
| phenol sulfate | 33312058.60 | 44043561.65 | 18894528.85 | |
| phenyllactate (PLA) | 764315.90 | 760530.50 | 548531.90 | |
| phosphate | 37131603.00 | 35939716.60 | 37639202.60 | |
| phosphoethanolamine | 65315.45 | 59764.30 | 76355.30 | |
| pipecolate | 87741.40 | 116379.60 | 80331.75 | |
| pregnanediol-3-glucuronide | 132632.20 | 204010.68 | 383436.33 | |
| pregnanolone/allopregnanolone sulfate | 55198.00 | 179397.56 | 374267.00 | |
| pregnen-diol disulfate | 5908998.50 | 6359995.90 | 5568798.90 | |
| pregnenolone sulfate | 484314.45 | 512885.16 | 532021.37 | |
| pregn steroid monosulfate | 2121592.35 | 2116485.25 | 2508047.80 | |
| proline | 8099294.35 | 9505537.15 | 7177789.05 | |
| propionylglycine | 30003.67 | 53193.88 | 33360.00 | |
| propyl 4-hydroxybenzoate sulfate | 1270194.69 | 81467.12 | 1323155.92 | |
| pseudouridine | 4885599.90 | 3323318.30 | 4913303.35 | |
| pyridoxate | 1264582.75 | 2942856.75 | 1221564.10 | |
| saccharin | 1773307.06 | 1007085.67 | 416818.94 | |
| S-adenosylhomocysteine (SAH) | 40886.50 | 21048.75 | 44422.57 | |
| sebacate (decanedioate) | 418476.35 | 106264.95 | 487997.95 | |
| S-methylcysteine | 207364.90 | 139959.85 | 163534.50 | |
| stearate (18:0) | 1547541827.20 | 879721369.60 | 1551563827.20 | |
| stearidonate (18:4n3) | 3379547.50 | 1450025.15 | 2488500.60 | |
| suberate (octanedioate) | 171452.79 | 100498.79 | 224028.85 | |
| sucrose | 74264.17 | 1200908.10 | 147175.63 | |
| sulfate | 34359512.50 | 24972503.75 | 27306595.00 | |
| taurochenodeoxycholate | 382602.33 | 763909.68 | 281415.93 | |
| taurocholate | 129913.85 | 269781.69 | 140670.82 | |
| taurocholenate sulfate | 1318439.05 | 485478.65 | 779367.80 | |
| taurodeoxycholate | 207515.88 | 453901.93 | 220930.00 | |
| taurolithocholate 3-sulfate | 565032.47 | 175002.36 | 152778.83 | |
| tauroursodeoxycholate | 101784.75 | 143420.00 | 97555.67 | |
| tetradecanedioate | 1797136.05 | 371282.65 | 1158983.50 | |
| theophylline | 2572482.50 | 1779252.85 | 1789220.59 | |
| thymol sulfate | 4748391.30 | 1011684.45 | 3178190.76 | |
| thyroxine | 431387.05 | 352345.30 | 427142.95 | |
| tricosenoate (23:1) | 1509966.40 | 1458856.79 | 1182500.90 | |
| umbelliferone sulfate | 212719.86 | 45750.29 | 34785.25 | |
| uracil | 42282.63 | 37017.00 | 40318.65 | |
| urate | 241505723.20 | 160774047.60 | 204982463.20 | |
| uridine | 7392819.40 | 5129963.25 | 6956598.80 | |
| ursodeoxycholate | 337174.64 | 2471997.12 | 136222.75 | |
| valsartan | 51996047.33 | - | - | |
| vanillylmandelate (VMA) | 171422.65 | 107607.30 | 145870.85 | |
| xanthine | 8746457.10 | 5499374.65 | 8419706.65 | |
| xanthosine | 34052.42 | 36622.00 | 33453.44 |
Factors:
| F1 | Type:Control |
| F2 | Type:Crohn disease |
| F3 | Type:Ulcerative Colitis |
