Data for ST001143
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 10-heptadecenoate (17:1n7) | 80376735.43 | 130231864.89 | 89363903.00 | 144285073.00 | |
| 10-nonadecenoate (19:1n9) | 48661642.29 | 83393846.67 | 46020804.75 | 87685729.50 | |
| 10-undecenoate (11:1n1) | 398562.71 | 401262.50 | 268180.00 | 443340.16 | |
| 1-(1-enyl-oleoyl)-GPE (P-18:1)* | 7360824.71 | 8991251.22 | 8867174.50 | 8469886.62 | |
| 1-(1-enyl-palmitoyl)-GPE (P-16:0)* | 48180677.71 | 46895093.56 | 61630178.50 | 46526031.50 | |
| 1-(1-enyl-stearoyl)-GPE (P-18:0)* | 8893056.93 | 7702905.11 | 14448749.38 | 7627516.38 | |
| 12,13-DiHOME | 6144971.71 | 7462361.67 | 9716685.94 | 8688897.69 | |
| 1,2,3-benzenetriol sulfate (2) | 24488.50 | 53763.80 | 111916.25 | 89287.00 | |
| 12-HEPE | 88910014.86 | 81173569.78 | 101981865.00 | 93539924.50 | |
| 12-HETE | 617828214.86 | 555350869.33 | 580411008.00 | 580132228.00 | |
| 13-HODE + 9-HODE | 671463904.00 | 723557646.22 | 836150456.00 | 851938728.00 | |
| 1,5-anhydroglucitol (1,5-AG) | 10837451.86 | 8881633.00 | 8674931.62 | 7575254.44 | |
| 16-hydroxypalmitate | 8400936.86 | 8033515.89 | 10041813.62 | 7781730.06 | |
| 17-HDoHe | 234304164.57 | 186622179.56 | 214932746.00 | 179472610.00 | |
| 17-methylstearate | 12757173.29 | 21832697.33 | 14034711.25 | 22243436.38 | |
| 1-arachidonoyl-GPC (20:4)* | 3358318.57 | 4061786.22 | 2687663.00 | 3656482.23 | |
| 1-arachidonoyl-GPE (20:4)* | 16601644.86 | 20903397.67 | 18203230.12 | 21553715.25 | |
| 1-arachidonoyl-GPI (20:4)* | 10219363.86 | 7718918.33 | 11137759.31 | 6093653.56 | |
| 1-arachidonylglycerol (20:4) | 3904087.57 | 9994133.22 | 2777032.41 | 7274454.38 | |
| 1-dihomo-linolenylglycerol (alpha, gamma) | 1375258.14 | 2481537.89 | 1459934.73 | 2424969.97 | |
| 1-dihomo-linoleoylglycerol (20:2) | 502813.58 | 1388600.71 | 453590.00 | 933584.86 | |
| 1-docosahexaenoylglycerol (22:6) | 2717760.55 | 5571989.14 | 1999686.95 | 4357891.00 | |
| 1-linoleoylglycerol (18:2) | 31794170.14 | 87501095.56 | 31712057.88 | 86305836.50 | |
| 1-linoleoylglycerophosphoserine* | 2750764.29 | 2900601.92 | 2820344.28 | 2869835.62 | |
| 1-linoleoyl-GPE (18:2)* | 5030072.71 | 6048664.44 | 6282797.56 | 6234663.31 | |
| 1-margaroylglycerol (17:0) | 10878619.57 | 16970913.11 | 9102710.12 | 16687809.12 | |
| 1-myristoylglycerol (14:0) | 3129553.05 | 4603296.97 | 2710440.12 | 3836142.12 | |
| 1-oleoylglycerol (18:1) | 33037800.86 | 81515007.11 | 34193273.00 | 84603458.50 | |
| 1-oleoyl-GPE (18:1) | 17666122.86 | 21731672.00 | 21669822.38 | 21898213.62 | |
| 1-oleoyl-GPG (18:1)* | 9573094.79 | 19372635.11 | 10020142.25 | 22232271.88 | |
| 1-oleoyl-GPS (18:1) | 8201330.29 | 11492634.44 | 7168903.00 | 11289253.69 | |
| 1-palmitoleoylglycerol (16:1)* | 4676718.00 | 11249501.12 | 5146520.44 | 9993093.62 | |
| 1-palmitoylglycerol (16:0) | 116039462.86 | 206443642.67 | 120823608.00 | 218078942.00 | |
| 1-palmitoyl-GPE (16:0) | 56510848.00 | 63709357.33 | 71822374.00 | 66896430.50 | |
| 1-palmitoyl-GPG (16:0)* | 127103844.57 | 149751145.78 | 113695158.00 | 158904827.00 | |
| 1-palmitoyl-GPI (16:0)* | 9743467.21 | 8004262.56 | 11268337.00 | 8719774.75 | |
| 1-palmitoyl-GPS (16:0)* | 7828886.57 | 7727525.86 | 6157891.50 | 8530330.81 | |
| 1-pentadecanoylglycerol (15:0) | 807533.80 | 1395924.68 | 885325.28 | 1554625.64 | |
| 1-stearoyl-GPG (18:0) | 7253879.29 | 10374141.33 | 6357804.34 | 10804412.00 | |
| 1-stearoyl-GPI (18:0) | 21353098.57 | 17822615.22 | 21437293.50 | 18404791.88 | |
| 1-stearoyl-GPS (18:0)* | 75216303.43 | 77418012.44 | 70006130.50 | 78471598.50 | |
| 2,3-diphosphoglycerate | 967194.86 | 1232998.78 | 1116677.88 | 1024108.50 | |
| 2-aminophenol sulfate | 85919.25 | 98320.00 | 164104.12 | 64481.80 | |
| 2-arachidonoylglycerol (20:4) | 1949350.82 | 3515999.89 | 1525780.50 | 2541795.00 | |
| 2^-deoxycytidine | 1860706.14 | 1869340.56 | 1564090.98 | 1875863.66 | |
| 2^-deoxyinosine | 304408.00 | - | 298244.75 | - | |
| 2-docosahexaenoylglcyerol* | 1012115.43 | 1915112.43 | 805373.00 | 1366638.27 | |
| 2-hydroxy-3-methylvalerate | 817285.86 | 323029.56 | 190216.00 | 261471.50 | |
| 2-hydroxydecanoate | 814829.43 | 878289.13 | 967116.75 | 797281.25 | |
| 2-hydroxyhippurate (salicylurate) | 54015.50 | 57579.29 | 54004.57 | 78059.50 | |
| 2-hydroxyoctanoate | 309671.87 | 358585.78 | 289492.75 | 302727.86 | |
| 2-hydroxypalmitate | 54858363.43 | 49725244.22 | 60916521.00 | 45300390.25 | |
| 2-hydroxystearate | 13827782.57 | 12728531.89 | 15028256.88 | 10110369.50 | |
| 2-linoleoylglycerol (18:2) | 21468133.71 | 52502957.33 | 21374763.00 | 42559807.75 | |
| 2-myristoylglycerol (14:0) | 1767748.71 | 2793456.89 | 1844255.50 | 2478342.12 | |
| 2-oleoylglycerol (18:1) | 25338751.14 | 47007099.56 | 26551552.75 | 47683509.75 | |
| 2-oxindole-3-acetate | 139919.20 | 108655.78 | 154122.12 | 46506.20 | |
| 2-palmitoleoylglycerol (16:1)* | 2690116.82 | 9990002.11 | 2932655.03 | 8685156.12 | |
| 2-palmitoylglycerol (16:0) | 53898074.86 | 92334032.44 | 59132870.50 | 95607297.50 | |
| 2-stearoyl-GPE (18:0)* | 2678474.14 | 3573330.21 | 5382080.38 | 3893467.97 | |
| 3-[3-(sulfooxy)phenyl]propanoic acid | - | - | 1579927.25 | 223950.71 | |
| 3-(4-hydroxyphenyl)lactate | 1598000.30 | 1647447.33 | 1520429.50 | 1568069.73 | |
| 3-hydroxydecanoate | 1147539.71 | 1247390.89 | 950184.25 | 1587140.12 | |
| 3-hydroxylaurate | 1892120.43 | 2136565.56 | 1652685.88 | 2932942.88 | |
| 3-hydroxyoctanoate | 861036.85 | 876892.55 | 890611.12 | 1020163.87 | |
| 3-indoxyl sulfate | 1475533.71 | 1537327.00 | 3190264.12 | 2293754.38 | |
| 3-methylhistidine | 135015.00 | 112790.44 | 52147.00 | 144175.47 | |
| 3-phenylpropionate (hydrocinnamate) | 346550.71 | 356471.33 | 385966.38 | 582124.00 | |
| 3-phosphoglycerate | 16163148.00 | 17835281.56 | 17204266.38 | 16861054.38 | |
| 4-allylphenol sulfate | 40076.67 | 45012.50 | - | 136189.40 | |
| 4-ethylphenylsulfate | - | - | 279561.58 | 492501.88 | |
| 4-hydroxy-nonenal-glutathione | 1647251.00 | 581009.11 | 927904.12 | 590133.88 | |
| 4-hydroxyphenylpyruvate | 447761.14 | 447076.00 | 574339.12 | 422756.62 | |
| 4-methyl-2-oxopentanoate | 989716.71 | 1410875.09 | 1196546.77 | 1467389.00 | |
| 4-vinylphenol sulfate | 556281.86 | 298093.15 | - | - | |
| 5-dodecenoate (12:1n7) | 3247244.11 | 4177950.17 | 3109315.38 | 4558447.84 | |
| 5-HETE | 29633002.86 | 31633488.44 | 29980577.75 | 30505217.50 | |
| 5-KETE | 11200222.29 | 13608027.22 | 12880719.62 | 13559229.19 | |
| 5-oxoproline | 464572198.86 | 621086350.22 | 525070596.00 | 587889568.00 | |
| 6-keto prostaglandin F1alpha | 166540592.00 | 148375064.89 | 162803090.00 | 164132144.00 | |
| 6-phosphogluconate | 7315532.21 | 5856302.00 | 8591261.00 | 5656702.56 | |
| 7-ketodeoxycholate | - | 75468.00 | 422652.28 | 67764.50 | |
| 8-hydroxyoctanoate | 1713266.27 | 1755857.22 | 1964703.09 | 1547042.23 | |
| 9,10-DiHOME | 4934794.71 | 6094790.72 | 8772903.50 | 7429747.00 | |
| adenosine 2^-monophosphate (2^-AMP) | 62081676.00 | 55312786.67 | 65325948.50 | 49238988.50 | |
| adenosine 3^,5^-cyclic monophosphate (cAMP) | 208058.71 | 181764.55 | 263577.00 | 177898.75 | |
| adenosine 3^,5^-diphosphate | 901033.85 | 646911.89 | 980431.85 | 627254.76 | |
| adenosine 3^-monophosphate (3^-AMP) | 19013454.07 | 6070252.42 | 21787600.75 | 3644292.75 | |
| adenosine 5^-diphosphate (ADP) | 505048.00 | 500220.38 | 687765.14 | 411945.50 | |
| adrenate (22:4n6) | 331104555.43 | 411044257.78 | 275405656.00 | 380203058.00 | |
| alpha-hydroxycaproate | 360487.86 | 365553.11 | 403058.62 | 328073.63 | |
| alpha-hydroxyisocaproate | 297638.14 | 234085.50 | 234278.87 | 234786.12 | |
| anserine | 2234480.71 | 1717837.79 | 3793497.47 | 1500746.75 | |
| arachidate (20:0) | 76771963.43 | 102170056.89 | 79402410.50 | 93966820.50 | |
| arachidonate (20:4n6) | 1621295424.00 | 1830635477.33 | 1431290688.00 | 1715555792.00 | |
| argininosuccinate | 851547.65 | 740899.89 | 1002633.12 | 928665.02 | |
| azelate (nonanedioate) | 5830493.86 | 6908900.11 | 7226407.19 | 6215968.38 | |
| benzoate | 22266133.86 | 26587410.06 | 18115256.12 | 33436987.75 | |
| butyrylglycine | 67336.33 | 189601.01 | 290477.25 | 228217.33 | |
| caprate (10:0) | 10755409.00 | 11326218.56 | 9835963.12 | 11327349.50 | |
| caproate (6:0) | 12594280.71 | 23597188.89 | 8932613.50 | 19335786.00 | |
| caprylate (8:0) | 3308532.71 | 4767606.89 | 2982198.06 | 3862986.66 | |
| carnosine | 621257.13 | 705028.34 | 975863.38 | 819331.49 | |
| catechol sulfate | - | 246161.00 | 1191776.89 | 337648.38 | |
| cholate | 384862.75 | 452297.33 | 658313.00 | 480649.51 | |
| cinnamoylglycine | 626935.57 | 1052814.67 | 1491165.23 | 1228511.00 | |
| creatine | 37959708.29 | 31547246.44 | 38367637.25 | 31756647.50 | |
| creatinine | 764674.87 | 679416.89 | 604390.88 | 547939.51 | |
| cysteine s-sulfate | 820615.44 | 856571.56 | 772309.63 | 782775.62 | |
| cytidine diphosphate | 171273.17 | 94041.50 | 165202.75 | - | |
| daidzein | 1389471.46 | 1370837.89 | 681236.40 | 410858.13 | |
| dihomo-linoleate (20:2n6) | 238714077.71 | 356589966.22 | 252828126.00 | 372436200.00 | |
| dihomo-linolenate (20:3n3 or n6) | 344212909.71 | 416990599.11 | 377600488.00 | 437575604.00 | |
| dihydrobiopterin | 191720.71 | 222904.56 | 154878.25 | 194187.88 | |
| docosadienoate (22:2n6) | 21607861.86 | 30332486.22 | 22296649.62 | 30523415.50 | |
| docosahexaenoate (DHA; 22:6n3) | 1151757412.57 | 1500986140.44 | 944626912.00 | 1496373048.00 | |
| docosapentaenoate (n3 DPA; 22:5n3) | 452323974.86 | 617528277.33 | 476192624.00 | 671366308.00 | |
| docosatrienoate (22:3n3) | 21078225.43 | 28909884.44 | 20392112.88 | 29115955.12 | |
| dopamine sulfate (2) | 247096.51 | 144616.56 | 191992.75 | 137779.86 | |
| eicosapentaenoate (EPA; 20:5n3) | 174128534.86 | 230406417.78 | 183887217.00 | 236993464.00 | |
| eicosenoate (20:1) | 345091046.86 | 544608222.22 | 357356534.00 | 586653208.00 | |
| equol sulfate | - | - | 861613.26 | 474674.75 | |
| ergothioneine | 5692138.43 | 3800681.33 | 6455344.00 | 3349684.03 | |
| erucate (22:1n9) | 63919658.29 | 97536271.56 | 58662166.00 | 91733859.50 | |
| ferulic acid 4-sulfate | 164654.86 | 173376.72 | 104683.60 | 56812.50 | |
| flavin adenine dinucleotide (FAD) | 3881420.50 | 3537168.89 | 4360453.53 | 3362687.78 | |
| flavin mononucleotide (FMN) | 225163.86 | 286789.66 | 188723.25 | 238713.25 | |
| glycerol | 49618744.57 | 53588208.89 | 53928846.00 | 62374800.00 | |
| glycerol 3-phosphate | 15682885.43 | 14408797.22 | 14125225.38 | 14088155.00 | |
| guanosine | 333973.00 | 214300.33 | 510944.00 | 196985.87 | |
| guanosine 3^-monophosphate (3^-GMP) | 2931048.89 | 798381.10 | 3139801.75 | 454248.63 | |
| heptanoate (7:0) | 1254653.29 | 2072162.65 | 1085998.75 | 2066200.67 | |
| hexanoylglycine | 454218.71 | 716168.44 | 476749.50 | 1125195.38 | |
| hippurate | 99696797.71 | 111987153.78 | 108032527.00 | 103955044.00 | |
| histidine | 58787289.14 | 53227317.33 | 52751584.50 | 50024944.00 | |
| hypoxanthine | 5937991.71 | 706273.44 | 13450730.00 | 646914.75 | |
| indole-3-carboxylic acid | 222966.15 | 214810.22 | 256779.25 | 206605.75 | |
| indolelactate | 971405.16 | 880120.11 | 315716.00 | 572385.12 | |
| inosine | 2900450.52 | 1762890.22 | 4671988.50 | 1494581.73 | |
| isobutyrylglycine | 154682.29 | 153755.78 | 266066.86 | 176374.25 | |
| isovalerylglycine | 486364.71 | 497989.67 | 776108.25 | 519432.88 | |
| kynurenate | 200444.43 | 170838.11 | 133404.75 | 152184.75 | |
| lactate | 198571657.14 | 197661002.67 | 220647004.00 | 200110542.00 | |
| laurate (12:0) | 76041729.14 | 79586794.67 | 75853785.00 | 86321140.00 | |
| linoleamide (18:2n6) | 68324314.57 | 64569927.11 | 61061458.00 | 74753586.00 | |
| linoleate (18:2n6) | 4040685824.00 | 5669486819.56 | 4770925120.00 | 6861523840.00 | |
| linolenate [alpha or gamma; (18:3n3 or 6)] | 317054350.86 | 499348567.11 | 450999792.00 | 660818848.00 | |
| malate | 489479387.43 | 479405592.89 | 527909172.00 | 512872300.00 | |
| margarate (17:0) | 229735419.43 | 335211226.67 | 238380980.00 | 346450932.00 | |
| methionine sulfoxide | 2578551.96 | 2107760.11 | 3760502.25 | 1960709.00 | |
| myristate (14:0) | 596694518.86 | 761966321.78 | 629210448.00 | 823224592.00 | |
| myristoleate (14:1n5) | 52945049.71 | 60402423.56 | 51519010.50 | 64165379.00 | |
| N2-methylguanosine | 209792.57 | 82851.29 | 311118.25 | 73571.50 | |
| N6-carbamoylthreonyladenosine | 199840.86 | 172469.89 | 203281.75 | 147805.12 | |
| N-acetylglycine | 650236.79 | 624233.87 | 633114.86 | 766574.17 | |
| N-acetylisoleucine | 220478.43 | 183133.22 | 223484.38 | 170891.00 | |
| N-acetylleucine | 703742.14 | 629538.12 | 853895.38 | 610716.63 | |
| N-acetylmethionine | 11113230.57 | 11113728.56 | 10283926.25 | 10272702.25 | |
| N-acetylmethionine sulfoxide | 774205.01 | 571088.89 | 1129196.74 | 701137.00 | |
| N-acetylphenylalanine | 677507.29 | 656142.89 | 616097.25 | 636319.88 | |
| N-acetyltaurine | 3981930.29 | 3012608.89 | 4388750.00 | 2622740.38 | |
| N-acetylthreonine | 6672500.93 | 5775175.56 | 6292373.56 | 5365581.19 | |
| N-acetyltyrosine | 54960.71 | 56939.00 | 55601.00 | 45562.40 | |
| N-acetylvaline | 546786.29 | 447359.11 | 487412.75 | 420298.62 | |
| N-formylmethionine | 737138.02 | 741645.23 | 845175.27 | 745973.49 | |
| N-formylphenylalanine | 1002035.54 | 869240.92 | 1113716.00 | 801848.75 | |
| nicotinamide adenine dinucleotide (NAD+) | 254045.16 | 224700.00 | 283083.00 | 220985.62 | |
| nicotinate | 107875.75 | 120105.83 | 991562.25 | 121704.40 | |
| N-oleoyltaurine | 1657387.44 | 2875494.67 | 1335870.51 | 3497667.50 | |
| nonadecanoate (19:0) | 55288848.57 | 70850071.11 | 64794889.00 | 71135540.50 | |
| N-palmitoyltaurine | 13243550.43 | 9645922.72 | 14954253.75 | 9659382.88 | |
| N-stearoyltaurine | 3869947.43 | 3633851.33 | 4598750.84 | 3305963.25 | |
| oleamide | 246108542.86 | 207414120.00 | 238980275.00 | 252986314.00 | |
| oleic ethanolamide | 5597938.21 | 8469545.28 | 5640056.12 | 6387353.25 | |
| O-sulfo-L-tyrosine | 228990.71 | 187376.00 | 229202.62 | 195902.00 | |
| oxalate (ethanedioate) | 61514204.57 | 58733283.11 | 70430547.50 | 55003313.50 | |
| palmitate (16:0) | 7705074980.57 | 9177096305.78 | 8381842816.00 | 9540285440.00 | |
| palmitoleate (16:1n7) | 2159433197.71 | 3092478819.56 | 2302741200.00 | 3307897376.00 | |
| palmitoyl ethanolamide | 14511071.79 | 17280740.22 | 15615098.00 | 12681734.12 | |
| p-cresol-glucuronide* | - | 224022.50 | 85429.33 | 595580.88 | |
| pelargonate (9:0) | 13299165.57 | 17178409.22 | 14579263.50 | 17071023.62 | |
| pentadecanoate (15:0) | 117252328.00 | 143450909.33 | 131453703.00 | 147875059.00 | |
| phenol sulfate | 7179150.00 | 2395690.89 | 4046004.50 | 3149453.88 | |
| phenylalanylglycine | 146582.43 | 124939.67 | 139141.12 | 107785.00 | |
| phenylpyruvate | 622943.15 | 654165.55 | 737454.50 | 684321.63 | |
| phosphate | 453534125.71 | 468914887.11 | 467067096.00 | 467264824.00 | |
| phosphoenolpyruvate (PEP) | 5848285.64 | 6566566.33 | 6227880.25 | 6004284.31 | |
| prostaglandin E2 | 38448928.14 | 19975282.44 | 25852382.00 | 24435520.00 | |
| prostaglandin F2alpha | 13179471.43 | 9144140.22 | 11395007.00 | 9381853.38 | |
| pyridoxate | 7250933.14 | 15556086.78 | 13086442.38 | 16509510.75 | |
| S-(3-hydroxypropyl)mercapturic acid (HPMA) | 53024.33 | 44343.33 | 53763.00 | 47424.80 | |
| S-adenosylhomocysteine (SAH) | 12589017.43 | 13083884.44 | 14244034.12 | 12390813.38 | |
| S-adenosylmethionine (SAM) | 1850017.98 | 1980942.35 | 1631122.38 | 1549683.73 | |
| sedoheptulose-7-phosphate | 16802322.57 | 17464377.67 | 18078962.38 | 17471414.88 | |
| stearate (18:0) | 4798337828.57 | 5614950798.22 | 4922403328.00 | 5482698240.00 | |
| stearidonate (18:4n3) | 29829973.29 | 36512634.67 | 36237274.25 | 39375256.25 | |
| sucrose | 1120305.19 | 1440552.52 | 688223.54 | 2363528.19 | |
| sulfate* | 9365812.57 | 9679530.78 | 12772622.25 | 10736070.62 | |
| tartronate (hydroxymalonate) | 6146379.29 | 6919922.89 | 8010647.88 | 5997070.19 | |
| taurine | 620387181.71 | 509976689.78 | 587498656.00 | 453354964.00 | |
| tauro-beta-muricholate | 4622260.45 | 169841708.11 | 4050896.50 | 1005642.98 | |
| taurochenodeoxycholate | 327303.25 | 4846328.89 | 331470.84 | 100037.85 | |
| taurocholate | 3240373.86 | 91917431.72 | 5678807.50 | 1333276.62 | |
| taurodeoxycholate | - | 9731437.75 | 427665.00 | 149880.39 | |
| tauroursodeoxycholate | 125170.50 | 5305603.67 | 182682.67 | 49976.00 | |
| thiamin diphosphate | 263743.29 | 251028.78 | 272057.50 | 218353.50 | |
| thiamin monophosphate | 211389.57 | 234534.00 | 116223.75 | 274814.37 | |
| thymine | 2377701.41 | 1768148.22 | 1486073.62 | 1708794.84 | |
| uracil | 146043755.43 | 143087280.00 | 150780676.00 | 148104925.00 | |
| urate | 634441618.29 | 640532316.44 | 630920144.00 | 606499672.00 | |
| uridine | 15181945.43 | 10686003.89 | 16082004.25 | 10508761.00 | |
| uridine 2^-monophosphate (2^-UMP)* | 903511.82 | 190334.69 | 929054.87 | 90493.53 | |
| uridine 3^-monophosphate (3^-UMP) | 1223835.56 | 506730.85 | 1234040.76 | 409282.08 |
Factors:
| F1 | Treament:Antibiotics | Exposure:Air |
| F2 | Treament:Antibiotics | Exposure:Ozone |
| F3 | Treament:Water | Exposure:Air |
| F4 | Treament:Water | Exposure:Ozone |
