metabolite_name CKD1Kidney_Aq CKD2Kidney_Aq CKD4Kidney_Aq CKD5Kidney_Aq CKD6Kidney_Aq CKD7Kidney_Aq Con1Kidney_Aq Con2Kidney_Aq Con3Kidney_Aq Con4Kidney_Aq Con5Kidney_Aq Con6Kidney_Aq Con7Kidney_Aq Isocaproate 9.683602755 8.29349982 4.745361154 13.01075926 3.888010368 8.009215731 11.47617311 20.66492472 10.69258557 36.75338604 24.80784134 15.98524614 17.1362385 Leucine 13.27399873 11.92590815 7.778541898 17.50286218 8.933183381 16.08358924 17.67675853 21.43535642 13.86787943 23.23210754 19.9280389 24.1888152 24.48005667 Valine1 5.570766552 5.152986876 3.500566971 8.103186209 4.244401241 6.976735678 7.214633157 9.950012641 5.356281111 10.39609531 8.475982685 10.09514907 10.65297962 Isoleucine 3.473816323 2.952940346 2.033218717 4.66616518 2.149786782 4.149502856 4.338791083 6.10890184 3.224872742 6.996529955 5.122196882 5.942119503 6.259048449 Valine2 5.634644571 4.81520252 3.303159433 7.77174602 4.092894274 6.759723224 7.275887308 9.677509225 4.883500375 9.824572676 8.073518721 9.31537701 9.781558473 Isobutyrate 2.644509927 1.968583051 1.435113157 3.036680974 1.26665114 2.362583144 2.819925533 3.455504159 1.73726236 5.253228054 3.64516176 3.254544358 3.379622504 Lactate1 156.4193712 159.9923236 117.8920274 282.6286911 76.72953474 237.0665924 212.3838656 261.0791275 168.4431844 305.0831008 295.3134279 229.9761577 275.3626179 Alanine 4.867655269 2.706745856 2.51227014 4.855150226 1.829170535 4.749195172 6.30061491 6.359962951 3.857126708 6.945433682 3.500828735 5.993950544 6.183183619 Lysine 16.70372335 9.984820551 9.544000844 19.50792879 9.397965056 20.54354428 25.18460368 19.9252455 16.6758753 19.26610524 8.489229574 27.15080889 26.96971568 Acetate 7.950489479 3.100914646 2.527984002 6.825978944 3.294067886 4.457128746 9.394826741 5.181422347 3.2911044 5.296803041 4.780470554 6.040819312 6.094590145 Glutamate1 25.80188039 20.08851544 14.99875729 47.35464397 16.91433033 42.17885574 64.24915306 55.35192389 46.54895265 74.46491209 51.45839056 73.23260599 73.10317601 Glutamine1+Glutamate+Methionine+O-Acetylcholine 40.2136126 31.38278353 25.49340956 74.67037295 27.21770642 69.79072797 100.3155406 79.77522017 63.26545715 88.30251637 69.04225512 105.6634768 94.4576982 Glutamate 22.52661997 15.07241586 11.8469388 52.8309695 14.23168339 41.94719156 78.68424193 65.94587103 53.10735298 75.97481822 65.48857465 87.03165999 83.46584863 Pyruvate 7.153893784 3.481881399 2.910936119 4.058650934 2.749213881 4.482470645 7.82817468 5.845584706 3.837978749 4.468928318 3.182691644 5.116623547 4.67369062 Succinate 4.999044692 3.558641277 2.296654953 12.8415997 2.791190047 10.03018272 23.36080178 19.76559599 16.52578582 24.96418649 24.87232943 27.58171997 26.66674198 Citrate-1 15.01857778 14.69001391 9.9092125 6.820275434 12.94157763 9.15000885 8.603625834 4.262200719 5.189770571 4.489845799 1.886067456 6.065778916 5.712684935 Aspartate 5.437652513 1.752193102 3.336696307 9.746111545 3.623453367 9.54669697 13.35905164 12.42160729 12.86531423 16.96590078 7.301137482 16.8465665 19.42317834 Creatine1 12.4860875 14.81609421 10.33655569 12.30870461 5.864268638 12.49840787 28.08579782 15.57535295 8.437013964 11.62933308 10.62336688 23.01143636 24.20186727 Creatinine 2.27805682 1.984905546 1.446974301 2.11146863 1.559205071 2.400546814 2.873168514 1.725520513 2.195656831 2.361944625 1.316992336 2.95220764 3.395081337 O-phosphocholine 24.30019303 29.65362268 28.82353892 66.26627927 16.57894485 61.3568242 53.9220987 51.37851136 32.01419933 66.0373512 46.30389937 60.30320174 57.67741598 Sn-Glycero-3-Phosphocholine 118.7133589 112.6916546 84.14267831 171.7680075 71.86381332 143.5522169 111.3353544 152.6934882 118.0938993 195.3603325 263.6943562 196.3529399 208.2701128 Trimethyl-N-oxide 16.5317733 15.50824589 16.22915935 135.3842164 12.65642755 108.2804277 254.3183901 246.7887956 163.5103419 109.3921763 149.4440061 117.2540195 128.805767 Taurine1 175.5389263 158.8078181 112.9556279 201.3262838 111.4938611 206.1148581 177.8127094 207.4613093 155.6116553 189.9338961 224.1036364 201.1368608 234.4106388 Myo-inositol1 34.56948995 27.04989361 20.26301878 47.06119526 20.26906516 50.57899797 32.32741682 33.55514862 32.35764231 48.70177719 51.02896976 43.64718928 52.85662937 Taurine-2 148.7099216 124.32832 93.53643407 149.7267051 99.48347293 157.7907085 121.5941149 159.7679958 118.5435677 144.3497859 155.6336347 168.1792528 175.8903325 Myo-Inositol2 57.55266837 56.12210701 33.50009364 79.04596748 37.91386724 85.05956419 40.85033824 52.39811522 60.21709693 80.76811619 92.44661061 74.02369245 97.6478242 Glycine 8.729070245 7.654549603 4.870653843 20.61774331 6.321724156 18.38488729 34.72557287 35.44912101 31.79229388 42.24185425 37.71158532 49.58793007 47.33818168 Creatine2 11.0844147 12.43920654 8.874494372 12.39596305 5.437620051 13.09227813 23.08696873 14.5344368 9.027306137 8.15939392 13.12977845 21.01452186 22.08186509 Myo-inositol3 23.17712316 22.51558179 12.28369379 35.51442267 14.60582889 38.47359751 22.92173736 24.99686378 28.64635335 25.69891838 42.71968699 33.77101841 46.05002133 Lactate2 42.43221402 38.40936051 31.32602531 65.47819213 22.73795357 72.69673103 66.1668481 63.840088 53.2853185 43.71024855 66.46485232 61.58424127 71.33933879 Sn-Glycero-3-Phosphocholine2 26.3973128 23.48733614 15.30229191 36.43603401 17.09837346 37.05901233 26.57528259 32.65303159 29.89247321 34.12856601 55.6834799 44.74543554 48.83109548 ATP+AMP1 3.536662496 1.669017792 2.158562207 9.246097928 1.902835172 13.52388439 17.08353099 14.24053849 10.96106172 9.836809331 11.60021562 15.76118318 13.63198633 Inosine1 1.441600575 0.418520343 1.397181082 1.81941212 1.648279713 6.127334702 6.113140851 4.023527169 4.9255846 1.18308372 1.028119888 5.204732767 5.05396307 ATP+AMP2 0.547575775 -0.23176172 0.276277115 1.553474947 0.266643155 3.793364145 4.926283229 3.936990131 2.68877949 2.691430695 2.445248313 4.00408205 3.290663476 Glucose1 0.754463913 0.677419368 0.996871326 0.045000899 1.041621843 1.431362851 0.15386201 0.148003755 0.483176325 0.999736208 0.371893561 0.791747631 0.531231233 Glucose2 3.870948593 4.778976036 4.43265876 1.719678577 4.591414419 4.472715466 0.922417693 1.808307175 1.912886494 5.502935309 2.179678498 3.782105611 2.760240592 Allantoin 0.500784608 0.672430021 0.322092428 0.160103401 0.253299305 0.271559456 0.069278 0.096211236 0.249814884 0.564583974 0.391509908 0.174116608 0.475669983 Sucrose 0.473927369 0.672357089 0.508928807 0.312156645 0.699830974 0.25686388 0.150015697 0.06307424 0.026277345 0.91183632 0.176268007 0.002776924 0.133649234 Uracil 0.45374644 0.842863544 0.420083168 0.771337555 0.68601097 0.540289056 0.42395334 1.182248154 0.239815934 1.008029567 0.292356615 1.026754732 1.061438454 Uridine Triphosphate 0.026643854 0.717080179 0.405613026 0.960522539 0.596919405 0.660542501 0.581362135 1.61931847 0.798061281 1.706640549 0.620978287 2.015106487 2.095498547 NAD+1 0.246799841 0.10840205 0.168475418 0.376163279 0.018510005 0.08024204 1.591405071 2.046878246 0.65349541 1.998178477 1.168440454 2.017989894 1.689042287 NAD+2 0.570220859 1.11646102 0.832466344 1.910077925 1.063354926 1.458553399 3.454765199 4.360620577 2.933705189 3.82731211 3.111688658 4.459012476 4.854936907 ATP+AMP3 0.843826785 1.218504941 0.526193008 3.564182981 0.523114768 3.0022762 5.425639826 5.770390569 3.140511031 5.414136098 5.582101463 5.806205434 5.300143491 Fumarate 0.489369989 0.545445879 0.335875849 0.710182675 0.289375469 0.677359283 2.15711571 1.451889843 0.9220434 0.873121108 1.177710176 1.136558757 1.122576326 P-Cresol1? 0.185402054 0.183131546 0.095189423 0.124469095 0.079994639 0.113406333 0.273251424 0.149387969 0.1127204 0.030675636 0.072995312 0.026389129 0.081585225 p-Cresol2? 0.212348447 0.447505698 0.242503471 0.150292733 0.198332366 0.159992292 0.039447287 0.114438495 0.04954347 0.085828871 0.058449079 0.059824963 0.08418311 Tyrosine1 0.957641203 0.933274774 0.73776951 1.786085525 1.047250306 1.671182422 3.557400095 3.260457036 1.71174895 2.006070072 2.494811593 3.586892734 4.649068448 Histidine 0.021373545 0.404100598 0.397228127 0.613197761 0.218545449 0.413352034 0.863705563 0.732921815 0.636697944 0.731201075 0.824172117 0.879984213 0.88769445 Unknown7.14to7.11ppm 0.139030348 0.287600465 0.299782592 0.511912064 0.201007751 0.211673887 1.776188138 1.786630853 2.252420753 1.979225495 2.481832058 2.359453401 2.706991972 Tyrosine2 1.044694844 1.437678037 1.004934182 2.610553059 1.422958878 2.175876686 4.582077086 4.279845232 2.39614073 2.679440675 3.350381843 4.619695453 5.996024982 Tryptophan1 0.4720186 0.905768902 0.670646774 1.282330953 0.678870199 0.729461565 2.459964881 2.579797302 2.899994907 2.649011673 3.329072606 3.125878826 3.594054732 Phenylalanine 0.930649503 1.490032964 1.199723651 2.280072574 1.299154995 1.781256446 2.363238124 2.33476096 1.614874892 1.193915629 2.454758654 1.79515254 2.251380846 Benzoate 4.084846271 3.064998124 3.031784621 6.975546637 2.797224664 2.334734903 3.420913845 3.352344325 1.83638775 0.723283029 2.124638726 2.168984261 2.322911788 Nicotinurate2 0.672819428 1.217516449 1.039259381 1.978788376 0.877561026 1.203109188 2.528623223 2.163329586 2.124741391 1.689609173 2.18379683 2.056404008 2.308947294 Tyramine? 0.015457235 0.224952975 0.253622557 0.8678805 0.164746971 0.15221019 0.573455562 0.575900025 0.559284501 0.165335316 0.445236434 0.394273082 0.293323972 Tryptophan2 2.845527063 1.699856407 1.33474656 1.993197629 1.117324942 1.260891325 2.905083241 2.539621467 1.287048572 1.466668573 1.398482041 1.312419468 0.93844078 Xanthine? 0.251380304 0.236903443 0.229679828 0.902113131 0.160925432 0.344436525 0.833163274 0.705730054 0.572273422 0.603708099 0.551364476 0.557824156 0.562073188 Unknown7.96to7.94 0.56661232 0.681276962 0.539666179 2.328175678 0.376987803 1.145349566 2.036548788 2.144848427 1.242492434 1.163242138 1.562298806 1.687013277 1.259211942 Inosine_or_Adenosine 1.136464871 1.903106832 1.371927505 2.635445404 1.600319699 1.681006334 3.25976492 3.730150429 3.070903892 2.847243767 2.986907815 3.980847061 4.477344936 NAD+3 0.049008322 0.122075542 0.079471933 0.921572411 0.000114615 0.205971516 1.920096011 2.068426088 0.989532769 1.386951237 1.697616631 1.865096223 1.387258554 Formate 2.46688326 1.309806986 0.733113047 1.732546199 0.766218686 0.747009512 2.56519885 1.759335085 1.087664537 0.573402772 1.017656695 0.712319952 0.785144894 NADH 0.010901619 0.065400682 0.043613631 0.255717158 0.045716936 0.071022495 0.293679511 0.226448116 0.235247501 0.26540466 0.168766034 0.321759874 0.291243064 NADH2 0.016233312 0.075905529 0.054877862 0.370280878 0.041191551 0.108691092 0.573642568 0.363263451 0.349781108 0.331929541 0.395290303 0.502615568 0.411990818 ATP2 0.019230929 0.111549857 0.020208849 0.384849029 0.032184625 0.080511042 0.468437125 0.271757011 0.196080395 0.303915415 0.148858805 0.493996665 0.208423518 Unknown8.61to8.59 0.060664095 0.11318953 0.058215311 0.719994395 0.071393867 0.327414732 1.558910308 1.428215972 0.727302674 1.048943045 1.212422437 1.199109142 0.952123843 ATP+AMP4 0.75136545 1.088016144 0.430452938 3.337888354 0.411149351 2.417164511 3.844715044 4.359433672 2.31212709 3.445647433 4.440017902 3.988270983 3.566030913 Nicotinurate 3 0.610825332 0.661736332 0.519962619 1.251339431 0.442010129 0.69509091 1.65419965 1.34511576 1.301202114 1.380380746 1.390577968 1.492486627 1.654327595 NAD+4 0.140819272 0.05601847 0.023464654 0.772814995 0.052473861 0.140871808 1.699464742 1.675046438 0.737323884 0.935309508 1.329489563 1.463811234 1.014017296 Nicotinurate4 0.523890076 0.495002818 0.442654267 0.853274465 0.361438567 0.587791045 1.477010951 1.21129369 1.012989119 1.175055582 1.097095255 1.32662493 1.353064662 NAD+5 0.064104557 0.080306208 0.067129993 0.317063557 0.045174629 0.245151028 1.888747058 1.92401364 0.741790122 1.101489816 1.546897038 1.80053657 1.296714181 NAD+6 0.052184246 0.145075244 0.065407292 0.664256797 -0.000164615 0.406320056 2.076853452 2.103386268 1.007605147 1.649170378 1.894488059 2.086250024 1.798287306 metabolite_name Isocaproate Leucine Valine1 Isoleucine Valine2 Isobutyrate Lactate1 Alanine Lysine Acetate Glutamate1 Glutamine1+Glutamate+Methionine+O-Acetylcholine Glutamate Pyruvate Succinate Citrate-1 Aspartate Creatine1 Creatinine O-phosphocholine Sn-Glycero-3-Phosphocholine Trimethyl-N-oxide Taurine1 Myo-inositol1 Taurine-2 Myo-Inositol2 Glycine Creatine2 Myo-inositol3 Lactate2 Sn-Glycero-3-Phosphocholine2 ATP+AMP1 Inosine1 ATP+AMP2 Glucose1 Glucose2 Allantoin Sucrose Uracil Uridine Triphosphate NAD+1 NAD+2 ATP+AMP3 Fumarate P-Cresol1? p-Cresol2? Tyrosine1 Histidine Unknown7.14to7.11ppm Tyrosine2 Tryptophan1 Phenylalanine Benzoate Nicotinurate2 Tyramine? Tryptophan2 Xanthine? Unknown7.96to7.94 Inosine_or_Adenosine NAD+3 Formate NADH NADH2 ATP2 Unknown8.61to8.59 ATP+AMP4 Nicotinurate 3 NAD+4 Nicotinurate4 NAD+5 NAD+6