metabolite_name MA0-1 MA0-2 MA0-3 MS0-1 MS0-2 MS0-3 MA48-1 MA48-2 MA48-3 MS48-1 MS48-2 MS48-3 MA72-1 MA72-2 MA72-3 MS72-1 MS72-2 MS72-3 MA610-24-1 MA610-24-2 MA610-24-3 MAA10-24-1 MAA10-24-2 MAA10-24-3 MAA1-24-1 MAA1-24-2 MAA1-24-3 MAD-24-1 MAD-24-2 MAD-24-3 MS610-24-1 MS610-24-2 MS610-24-3 MSA10-24-1 MSA10-24-2 MSA10-24-3 MSA1-24-1 MSA1-24-2 MSA1-24-3 MSD-24-1 MSD-24-2 MSD-24-3 MA610-48-1 MA610-48-2 MA610-48-3 MAA10-48-1 MAA10-48-2 MAA10-48-3 MAA1-48-1 MAA1-48-2 MAA1-48-3 MAD-48-1 MAD-48-2 MAD-48-3 MS610-48-1 MS610-48-2 MS610-48-3 MSA10-48-1 MSA10-48-2 MSA10-48-3 MSA1-48-1 MSA1-48-2 MSA1-48-3 MSD-48-1 MSD-48-2 MSD-48-3 MAT-24-1 MAT-24-2 MAT-24-3 MAV-24-1 MAV-24-2 MAV-24-3 MAT-48-1 MAT-48-2 MAT-48-3 MAV-48-1 MAV-48-2 MAV-48-3 MST-24-1 MST-24-2 MST-24-3 MSV-24-1 MSV-24-2 MSV-24-3 MST-48-1 MST-48-2 MST-48-3 MSV-48-1 MSV-48-2 MSV-48-3 ATP 293912.3 361367.7 410820.2 240568.4 225103.1 233375.4 272871.9 251371.1 171046.6 340207.6 225970 148646.3 154891.6 228109.4 269232.6 215096.1 205892.3 228837.4 54011.47 44295.04 14182.78 52602.75 43329.3 29246.43 37312.75 35072.86 102264.1 51383.74 39341.39 33307.41 19665.66 25750.42 63203.9 24690.36 37214.98 37361.58 20125.98 32129.2 30698.69 80565.05 60074.05 52207.99 277114.8 187216 198037.4 585483.1 416678 115426.6 399950.8 117012.4 193549 91458.77 240580.8 180552.9 356238 33676.49 58232.93 179607 496504.8 93580.16 419246.2 225244.8 319388.7 115112.6 68324.8 279128 55489.06 114609.6 149075.6 56480.29 228410 66828.38 18449.66 36937.13 93599.1 173488.2 123258.1 486987.2 54959.95 99824.32 148839 40385.96 52302.85 32320.23 51030.81 64554.07 121432.1 122025.6 42625.89 40317.11 ADP 376474.4 357658 432088.1 388184.6 354505 501979 333796.5 239707.4 476674.7 395418.5 398813 323227.3 405709.5 390368.6 340016.3 278828.3 252623.9 220065.5 12883.94 13202.28 7296.518 11121.15 13542.06 14615.69 22090.59 40661.44 23245.9 27262.71 25583.12 12808.22 22666.45 20951.95 11389.06 36254.14 32785.32 40418.88 16777.93 13621.66 20815.33 23685.14 28371.19 38317.45 78992.78 42421.14 50213.88 91571.23 62866.55 43072.2 67106.31 31547.41 77468.93 49099.02 57536.7 23354.82 59307.29 10835.5 11859.58 67163.95 141347.4 67701.96 67660.9 85202.3 61752.08 24527.63 30311.26 49477 135724.2 38353.45 95592.44 47015.47 126002.8 120634.6 16751.32 13512.66 19752.87 50582.53 38902.18 56183.08 44213.97 30944.46 70663.09 74960.8 88357.71 73468.78 36728.18 94900.38 56079.96 68198.51 37322.95 39849.38 GTP 18331.53 22015.04 25863.76 14724.96 11076.92 12987.8 19076.52 15366 5636.805 18737.52 10586.81 7509.722 5671.602 15084.81 16749.21 11289.27 9186.356 9756.179 6280.995 9464.421 2983.822 9317.419 5940.619 3742.279 8068.666 6357.229 13010.16 8419.833 5065.676 5095.988 3198.031 3590.113 14422.19 3890.588 7282.892 8885.912 3472.178 4617.821 5333.431 8937.233 8071.672 9879.407 30324.95 19697.57 26235.6 117234.2 54524.39 11234.42 59920.08 13270.34 25934.49 8310.222 34154.3 27864.5 27949.09 4713.157 15323.99 15515.67 41520.45 8253.698 39043.05 15195.75 33115.81 13311.98 6785.986 22836.8 5772.241 16743.59 10818.56 10668.08 28698.84 8643.493 2585.752 5694.929 10942.77 20258.22 9516.468 59046.15 12030.86 10734.8 13739.92 5684.254 5659.945 3522.663 7442.175 7213.822 29889.12 20178.81 6117.87 7084.167 GDP 57350.51 88824.25 102808.2 58959.96 49725.36 115624.8 87312.41 60700.64 72087.52 96766.54 131368.5 67216.98 53877.23 105887.3 79550.46 83267.73 52731.29 45258 2760.031 3022.827 1152.468 2455.872 1804.961 2905.572 3715.579 8664.153 4522.776 6196.911 4655.919 2693.006 4004.121 3858.903 3129.154 7375.871 5536.742 7083.04 3655.515 2487.958 4196.502 4117.071 4451.813 7318.425 12806.46 4970.139 8242.503 16388.12 11680.84 5438.633 8881.995 4831.111 9808.386 6833.111 8081.529 3702.768 6284.544 2549.907 1274.063 8653.192 13968.18 7253.35 8014.326 9755.9 8198.292 4100.053 4484.025 5476.366 17690.35 5009.617 12957.29 6522.955 15905.18 14940.59 1491.429 2909.445 3283.106 7493.763 3996.659 8717.579 8328.138 2926.3 6996.208 11161.81 11189.82 10355.14 6613.62 10637.12 7128.434 8412.776 4965.577 5749.169 Guanosine 465.6328 0 672.578 596.8628 471.6604 1401.863 883.1486 2818.051 331.6443 1895.974 957.6769 2261.885 2484.178 384.6684 732.5428 4603.843 2897.374 2587.743 3710.752 21700.68 1736.73 4327.043 1978.747 2849.444 3589.473 6040.125 4313.024 7268.341 5652.673 13339.13 4114.402 2981.574 76530 25840.05 5932.875 6243.612 4065.964 4209.366 4396.442 9118.055 22362.13 38832.94 3756.488 780.6778 17076.96 19835.66 1953.933 31091.11 4696.858 1531.343 2720.339 11859.81 1782.788 2789.542 3626.033 1377.951 883.9614 3702.974 8170.353 4097.041 4028.763 9506.114 2472.758 9460.012 7822.967 10617.3 8019.984 5014.222 2502.983 15736.87 2684.534 587.0667 4704.08 3528.567 0 1441.496 635.6782 1239.39 7790.232 10722.89 4517.788 19046.93 19666.86 12415.66 14715.53 14790.67 932161.5 32393.33 380168.9 10464.11 CMP 71767.26 45739.91 70346.35 71879.68 76469.79 66674.88 95265.03 141871.9 63763.82 58931.11 75139.91 126165.6 96714.13 55555.45 54335.53 85928.05 22889.39 76145.85 21751.49 27126.68 13452.82 29923.95 28295.62 14873.8 37812.21 69044.26 40047.89 34497.38 60832.96 31261.12 49783.62 4992.828 21400.79 81728.45 72693.05 55327.49 39318.28 3855.414 23539.82 32053.24 42851.36 54778.54 26031.94 23863.2 19193.09 29392.23 18983.43 12944.82 31617.5 17949.49 32026.85 18955.29 38771.86 10761.49 30425.09 1190.887 526.4177 37173.72 42185.64 39004.76 35575.99 38860.95 26016.5 11781.06 34335.92 46187.55 55761.69 24790.64 17589.94 78567.23 36285.49 54372.98 31557.96 14850.11 24263.1 28202.56 28413.13 20426.19 72784.88 21137.47 36178.66 214425.8 152817.4 147422.7 68305.59 111479.2 50284.3 240071.3 224403.8 97572.35 Cytidine 207076.1 185964 162744 189244.9 191248.1 151907.5 644078.8 709290.2 467327.9 414665.2 370076.6 611956.1 998400.2 396595.3 359422.1 1009483 506635.5 728062.8 104064.6 97121.62 41245.55 182602.3 148600.4 158317.3 209540.5 295452.5 195462.2 192786.8 235006.9 132907.7 224799.1 66763.38 97758.91 381517.2 346608.5 305010.2 150379.5 115250.1 188278.5 220209 228207.9 292662.4 582642.4 723590.3 451298.8 910455.9 1048950 581463.6 995950.2 700871.5 789783.3 1104058 928522.7 722217.6 1498243 107895.5 143292.7 1189173 1761999 1780314 1398540 1033452 939109.2 741894.4 1020019 1230675 531192.1 381297.9 535849.2 620718.6 563595.3 402669.4 277193.2 619609.8 448800 871470.4 910321.4 944779.6 559931.1 512297.3 818623 1194484 978564.5 695181.3 673840.8 824483.5 558093.9 1946376 1367264 922448.7 UTP 60743.89 79186.85 83283.59 54213.03 42564.23 53838.16 55711.84 50236.72 22850.68 67926.07 46658.36 29429.02 29367.95 49922.82 53462.39 44928.86 37317.08 42095.31 9467.14 8186.854 2510.492 9809.595 7324.612 5205.13 6544.904 8017.539 16736.24 10689.99 9654.096 6008.31 4498.961 3983.601 11069.16 5306.077 8768.976 6572.703 3414.966 4535.822 5871.581 13479.68 12502.52 8331.194 52841.38 33922.31 34412.87 101517.4 74752.97 19552 75012.9 20265.08 32628.17 15021.05 44676.44 33804.41 75175.84 6020.682 10405.6 34883.66 87560.44 17756 71354 37401.8 49458.99 17244.89 12332.06 40165.35 11178.15 27361.68 33964.92 10428.11 36438.25 10596.37 3452.561 9071.486 19775.76 25376.22 24163.24 76267 11196.92 25326.96 39169.13 7805.645 7831.168 5547.514 8727.09 11962.7 20542.84 14622.98 7890.965 5270.428 UDP 110117.2 108416.7 144055.9 94347.12 78425.65 160603.6 80029.89 62986.79 111730.8 122809.8 121729.3 72432.57 114313.5 125314.1 80796.35 69603.41 65772.36 51282.94 4101.371 3183.24 1851.149 4440.493 4147.024 2898.857 3262.521 8294.714 5941.299 4676.568 7082.001 3437.249 4421.972 3363.854 3338.988 10915.03 8648.746 7622.021 3180.564 2728.014 4609.588 5868.419 6519.684 8034.392 17861.25 9617.922 12387.1 24562.23 19932.79 7847.746 12986.28 6993.405 12039.42 9125.84 12843.45 5914.132 15306.97 2873.378 3157.09 13907.78 27310.3 10876.75 14324.58 17006.24 14288.14 4812.92 5870.974 10908.09 37978.29 10522.47 27579.27 8411.536 23572.05 18570.3 4163.224 4092.732 5169.042 10558.67 7330.729 14868.39 11586.17 9518.587 17384.57 12841.64 13598.2 8959.565 8058.99 14867.54 10432.54 7622.822 5196.917 5649.638 UMP 1379231 800462 1802816 1667826 1997554 1711543 904671.6 1593765 786628.5 579252.6 744628.2 1116327 1630658 576203.2 517044.4 1581735 211463.3 1165520 172299 279597.1 86652.54 338306.8 397711.4 223141.9 399536.2 1165506 450072.4 463443.8 749647.2 284826.3 705147.5 140012.1 128326.5 1139847 1321638 853329.8 331764.9 137487.8 492567.5 470170.1 824771.3 928672.2 152479.4 65554.84 115266.5 256981.1 87098.04 100105.5 182424 99705.65 277815.4 102179.4 119171.8 43859.72 71346.34 5388.451 8306.147 179530.2 347706.8 328885.1 357877.7 302832.7 159164.6 67779.99 170087.1 164061.1 1125279 143667.7 153372.2 714810.8 470277.3 598715.3 474622.6 40170.77 44139.34 153427.6 136562 70243.09 967572.8 229433 269551.7 2253502 2228206 1742071 814545 1185846 529191.6 2479583 1704629 978916.2 Inosine 78236.02 71217.37 100890.7 92294.34 99171.35 96419.1 110903.5 149070.1 80219.05 58517.45 61081.24 104971.4 304651.8 78540.75 51651.76 303524.7 144461.8 204185.9 23830.15 7743.836 3662.251 65182.91 39090.76 23921.92 16029.83 59692.91 13873.1 54033.44 216535.9 20324.96 223872.6 7461.513 9757.877 232513.4 327620.4 265149.1 22342.76 24833.69 81572.59 33966.38 183867.2 33801.18 30853.87 166910.4 27531.24 570553.1 81027.72 103731.6 72501.8 105620.7 45037.93 125733.7 331244.3 174434 146183.3 12035.33 7497.357 407614 141716.4 175941 114615.1 245631.2 58936.94 25918.14 374327.5 463039.1 304516.7 221698.7 388246.2 141851.5 56675.56 432439.6 62348.16 121532.3 72628.7 64234.31 108678.4 66335.76 56190.06 136987.5 405975.4 683789.8 991337.3 895451.2 121487.6 356108.8 321790.4 142677.7 390924.5 41014.25 Xanthine 3507.186 4443.82 6629.546 11397.17 7995.761 9839.137 7076.534 8883.497 4179.326 6209.58 4732.355 3496.297 5730.378 4359.193 2577.592 6137.203 2430.631 3820.665 9160.376 151720.9 15268.07 19456.02 9360.07 13216.83 33188.71 10765.91 12213.28 24809.03 26460.85 7587.869 12413.83 18830.25 19999.42 13101.82 18482.36 86456.35 33355.85 44441.34 21238.35 115020.1 156203 9644.132 44001.23 18683.25 14970.19 36651.04 10515.64 740027.7 37607.78 17279.97 19740.08 35850.02 15497.67 10452.35 39282.74 26402.78 28582.32 15223.84 19019.53 14734.72 11653.06 19388.67 11609.58 17524.63 39024.75 291854.8 18804.7 19979.09 48989.81 13145.38 12808.19 168236.6 20279.56 28636.58 11385.89 44087.95 15288.68 20893.56 24562 33561.5 12617.53 32163.53 73161.29 21189.33 29906.61 9382.142 83800.58 11243.57 8895.315 4657.679 Urate 24496.76 24463.63 32477.65 29253.7 31568.56 26609.78 17801.46 19721.25 11136.75 13284.73 12256.22 9438.608 28919.38 10837.04 6411.957 21458 10199.66 3877.521 13738.44 69452.53 13464.9 19223.02 11215.11 22370.47 38099.92 25758.37 14700.75 35535.12 43824.84 14873.69 30619.15 31607.32 111736.5 714528.6 44087.03 63500.53 33541.41 29026.88 22761.33 85346.02 120809.9 48194.24 5760408 31775.16 34309.43 100784 53467.38 268348.3 41558.38 22863.86 24423.03 136979.9 26058.87 22244.46 67963.39 38903.53 24904.09 42156.7 73978.48 26234.48 30378.86 29199.47 28669.08 39171.25 46250.98 207855.4 35065.05 1509752 52086.42 26031.31 26305.66 51827.64 39788.33 23152.84 22622.45 39701.1 56301.28 43620.89 53192.97 44253.34 37654.39 40268.62 81436.81 43889.27 56433 25009.52 43237.77 42724.52 23233.23 15214.09 5-6-Dihydrothymine 478270.7 539195.3 407001.7 572019.8 545961.5 404398.1 113454.8 122273.2 97445.25 96675.04 92046.66 152128 219153.4 87978.85 92346.25 260103.6 140467.9 215307.6 86037.88 24967.04 38657.79 72760.19 48960.67 106045.1 48806.53 62128.49 47070.37 39614.21 56356.25 71080.01 166462.4 47874.12 78679.65 108070.3 103170.8 142845.7 57248.34 113063.8 101498.7 77223.84 79274.59 95784.03 127750.3 358787.6 103618.4 300660 220227.8 318019.8 249845.8 344634.2 200129.8 628963.8 546487.8 502687 422343.9 76912.53 83596.53 771325.7 361689.2 735917.5 302005.5 355700.9 230904.3 174640.7 590356.2 768286.7 149334.9 234407.5 128017.9 172499.7 127660.2 135044.7 354971.4 703916 449458 342662.6 458220.6 286079.4 226671.8 628419.9 758818.8 391605 319077.7 238646.8 813424.3 1029966 483486.3 690831.2 1311601 444109.6 4-Pyridoxate 43288.33 37801.29 32121.15 41864.82 41830.68 40173.21 16989.32 17131.82 12708.71 14329.72 9608.023 17524.62 16779.74 7987.498 8750.468 15739.93 12361.49 17203.92 0 321.7013 335.3961 299.157 1834.152 0 1669.099 0 0 0 2894.309 1761.666 8473.915 1224.701 1288.729 4661.099 9051.536 10838.64 1891.182 5432.238 5266.793 5150.291 10005.72 2275.404 12113.7 22299.79 18362.27 26300.3 20218.89 35337.72 19119.23 13335.31 16999.07 16163.91 22094.86 20469.25 32785.07 6305.975 3305.059 42549.94 33989.02 26583.82 29388.69 32492.8 25592.3 18570.47 25054.96 41648.04 7913.802 2259.082 2539.168 9704.921 4660.775 3019.058 9902.229 10329.54 10413.93 26028.09 25779.06 17532.82 8437.437 17647 22686.81 39647.76 21322.88 19701.27 34642.25 41549.83 22293.8 51866.66 57439.5 35881.3 Phosphate 20795940 18487620 27735610 19531170 25076310 27174450 17011640 26541000 17643450 13866130 14585320 15877720 32150060 14701370 11241920 29576390 21323070 22248880 14022200 12168620 13858400 21398180 23171630 12832940 20771310 43687040 22790410 29820700 38855960 15389730 30417540 8540275 8506212 40899200 40545360 30054800 16985550 10510410 22621540 24518310 33909200 27461530 10149040 11622460 8453440 24128930 9849508 10817460 8487000 6385196 7586466 8071466 15146990 10690370 16019280 3334662 4521686 15695380 22677810 9416142 10207930 15124980 12319730 4858955 16290420 13875790 39734920 25166570 37050800 19255270 26991210 33089420 12788970 9086791 8649424 8115580 8106442 10164280 23756760 16060430 23170490 34526440 40849810 43306360 8920632 17636140 7632908 15607000 17733460 9974103 Diphosphate 783073.1 682294.7 1168879 781844.8 1050723 1053057 684547.5 1121462 686628.1 544055.5 584206.8 633469.3 1310530 638721.2 489136.2 1092317 828375.2 982214.3 652490.2 460052.8 642970.2 1418138 1483226 597089.2 864101.4 2006614 1305086 1859664 2698282 745477.5 1861358 287461.5 288737.6 2369304 2809033 2037007 1100850 408861.6 1346021 1471698 2281730 1327593 458262 487916.8 332402.5 1383740 345140.2 414211.5 244822.6 158435.2 243728.4 282800.9 636169.3 388387.4 763795.9 51956.58 72949.99 733237.2 1106021 329932.2 292063.6 736580 529336.2 104698.9 683382.9 534782.9 2454165 1686394 2137202 1148927 1075308 2098843 528354.8 273797.5 291628.5 278473.2 311200.8 357247.3 1386483 811339.7 1456406 2020177 2255088 2799896 273965.3 1002323 227742.4 731150.8 816860.7 353294.3 D-Glucose 45327.71 47759.41 60460.16 107535.2 55379.84 50315.36 20058.55 31482.75 19487.55 27106.06 18079.2 17924.36 59673.92 21693.2 12939.86 52333.78 22429.54 38783.53 55287.54 92032.62 19601.63 36974.72 20851.07 105432.8 29812.86 41437.99 15955.59 38585.79 53220.5 17179.42 25951.3 31861.49 28399.96 49237.52 55944 37637.8 15223.18 18754.03 21556.77 43494.56 55554.5 39866.78 55005.31 73525.23 412983.7 484396.5 71172.22 77444.56 92952.81 55227.52 48257.21 45122.39 93812.27 75812.12 74815.6 80924.16 22218.87 45153.89 56579.82 28675.98 44506.87 43166.55 40270.04 42090.34 73960.38 66734.69 128468.1 131770.7 221867.7 86475.56 96702.38 68056.81 46152.74 44476.57 63375.25 49122.13 55002.2 50257.11 43418.66 33349.88 39637.81 35298.04 67740.91 52948.98 41466.53 39248.35 2215959 52014.08 46576.52 26063.3 D-Fructose 1-6-bisphosphate 0 62952.33 40363.34 68480.06 67488.55 65129.98 8740.911 0 0 11182.67 0 0 35174.46 0 11231.49 24304.64 0 18771.35 11233.19 0 648.3476 0 15580.59 5608.061 0 0 9042.751 25278.55 17104.2 17135.79 0 10074.93 0 22360.7 41820.29 0 15977.58 4615.489 30425.83 0 20954.49 0 0 35762.29 24818.48 0 0 53483.81 0 49619.93 17895.19 0 0 61293.2 0 0 1873.581 0 0 35007.42 0 0 0 0 0 0 0 0 0 50879.92 0 0 44406.2 43880.8 0 103101.2 76266.2 0 54668.43 74588.7 0 130257.1 52105.89 52034 113209.9 41927.62 36553.83 146575.8 123985 88526.41 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 18008400 8941421 11532210 12155910 8814877 9835032 8611452 10995720 5624534 8993309 7513552 7305480 11502060 8578372 9144220 7633312 8987780 8617088 19841870 23821380 15955740 16483300 17710550 18159280 16300520 16896100 45493710 26126220 15661200 16102450 19804030 17268330 12620350 27915070 21277830 38490780 16742360 19178660 20662390 20054480 11360660 16315590 15410460 25372370 20704690 13992110 21377340 29083520 18870670 19668830 23738170 13849660 14229200 14022350 26107820 16934230 27015650 19712650 23394630 17851260 29256200 23135230 31292930 27156380 18794410 31605170 30054700 10167240 17504980 26018750 12515480 15526310 43758320 16943920 16431080 19705110 14420700 28208420 13466760 12054610 20411580 14402650 19599910 21381750 30714720 22071630 17131110 23958620 30044370 15421100 Phosphoenolpyruvate 1839.613 3404.249 3694.372 2075.561 2177.951 3295.534 744.5811 1523.64 791.1375 1416.41 1782.358 556.1682 899.9365 377.941 599.3572 2328.547 782.8237 1032.339 5521.844 34947.04 6388.479 28200.64 41538.73 7184.81 46944.34 312886 75710.66 105515 173142.4 14604.41 128949 9412.07 6829.692 292955.6 274234.2 28068.74 20572.97 6339.752 50902.57 84606.41 165122.3 129643.8 13038.05 9182.198 13169.64 78778.01 17384.6 5502.186 30520.75 6042.505 9485.233 4037.604 7318.83 6126.239 17313.92 3923.059 5471.465 9197.251 31551.22 4185.612 34741.86 13242.88 11217.48 10347 9903.351 7215.888 23528.57 11684.43 40508.18 19038.45 20515.78 12792.26 5646.056 4572.906 6001.973 8297.871 7090.152 18573.23 9678.039 5291.945 7336.814 27415.97 20995.41 25325.9 4658.008 5523.596 7887.922 16870.61 5616.523 11509.61 Pyruvate 142647.2 170282.8 157779.7 143419 168272.1 134790.4 99412.73 114348.8 95094.37 102850.8 98924.13 114692.8 158492.1 97318.44 84202.81 188044.9 105624.1 141374.6 62166.71 90420.47 52119.33 69528.85 66177.24 64534.14 97978.6 79275.88 67562.36 77994.12 78515.81 72649.36 73549.74 74297.23 85760.09 119114.4 123294.3 141613 70609.02 84258.71 93205.02 137184.3 175323.6 95325.38 118862.5 126680.7 123659.5 220482.1 134261.5 181317.9 164855.5 106958.8 167118.5 123979.5 189254.7 117683.9 205718.6 98446.16 87125.38 178230.2 278238.6 166776.1 170899 172812.3 147404.3 119098 154310.3 341236.4 164796 105559 149539.1 109898.4 155583.9 166734.3 151762.2 97444.98 114196.5 122268 129454.9 160753.8 103900.2 118785 129711.6 179577.7 197191.6 136889 137195.8 118058.6 739100.4 132429.9 107480.6 98014.91 Lactate 3881471 3583659 4570680 4755004 3746624 4145890 2915168 4922702 1956319 2731902 2331389 2426724 5259118 2351615 1661115 6286470 1981308 3038957 9112391 6768708 4212008 6336492 4313526 5190360 6744410 9594476 6278116 7758430 9980156 5158752 12543090 4733563 5095448 23376310 21992560 21303050 8805295 11441760 10737860 16853160 26463380 10775990 11389520 12604630 8339760 24067990 9253509 22301000 12089950 7134670 8330126 12176240 13561100 9539827 22940570 8562136 5699738 19847490 20514210 12150940 12575470 20712370 14274610 10104080 19072020 36337140 16788660 8593015 13602860 12529860 10695580 15541740 11123360 8506550 7711048 11437320 12516410 10506970 12942590 10627180 12638200 25764230 33554800 22387950 10584130 12285620 12026620 25557730 22023130 12351280 Maltose 7300.307 6512.463 8508.512 16417.72 15453.08 10263.26 6829.819 4075.107 7418.865 5998.417 24881.25 1035.223 1789.263 4259.966 4851.708 1879.806 1461.968 0 6098.824 20640.67 5839.282 8117.7 759.624 11065.1 9684.66 0 1677.449 9003.792 12980.48 8593.603 1999.606 14396.05 18774.02 16903 2742.407 11152.66 1462.189 11575.35 1646.383 2389.526 48728.61 0 79182.68 37015.6 57195.75 287641.8 35416.22 28889.22 38894.94 22654.77 32899.27 20660.13 24392.46 33631.28 18437.62 1353818 10169.35 9361.8 30359.29 25151.59 5068.816 11675.73 18202.07 19967.44 14002.16 17753.75 10842.27 13769.35 17624.61 12728.28 8275.316 4902.432 21618.59 19079.8 18005.91 11904.94 38247.2 12344.36 13044.38 19027.98 2453.598 0 1085.339 2906.825 22142.32 2536.458 1799653 8417.991 14704.75 4432.421 Sorbitol 1244221 1237768 1081189 1059934 1363272 1079943 214611.6 262492.6 153670 104375 136179.8 172754.8 444500.3 168878.1 107033 331337.1 162465.1 235542.6 140707.6 143052.3 111014.3 273150.1 196570.9 128241.3 161305.8 217191 203027.1 129671.5 260866.4 265864.2 174575.6 187832.8 74928.12 545272.8 294125.1 302331.6 82019.16 94628.44 126524.7 149568.9 190094.7 182994.6 1673166 4116323 2522665 6958820 4630944 3537063 16436980 3711415 2762349 8899553 16572060 12260660 3720309 890764.9 654895.2 8628939 3762601 4006367 2203282 2424843 1628797 1804115 3802365 5388490 13654670 6889376 13017650 287810.5 9544749 9005078 9941453 9931614 8654961 8464849 13506570 12631740 8340498 9395009 16086640 10458330 5417926 11741060 8516144 15904930 7657706 11776670 11407000 10345220 D-Ribose 66709.91 55297.87 56194.58 55929.22 68303.23 56779.22 8158.184 10786.95 8710.383 8389.693 5370.394 2118.532 16404.02 7516.703 5066.637 13136.58 10300.39 9906.407 4740.856 3340.877 4522.164 6175.312 3596.223 3213.768 10424.91 11690.86 4445.196 6082.398 9084.954 2474.188 11123.55 3615.905 3446.66 17775.51 15714.15 15751.89 4405.924 4837.884 3662.933 8978.59 10825.57 9878.518 12601.27 20146.47 10129.34 35535.72 19575.01 20599.68 23199.84 10570.63 14677.7 16746.08 22555.11 17081.88 32592.7 4648.246 2813.863 26107.1 33583.89 14510.36 21229.61 23071.55 16303.47 13317.03 19703.24 32431.93 19796.74 13104.37 15940.93 24236.23 19798.17 13199.5 9248.363 11089.74 12337.82 26358.83 35225.1 28036.53 18133.61 16476.81 28317.69 50700.13 48600 32387.32 15533.68 25019.67 76581.84 62358.09 49630.71 28419.24 D-Rhamnose 6922.651 5483.637 8602.091 4877.771 6895.245 8711.495 6343.549 8056.702 7146.458 8160.605 7600.382 5337.037 8299.566 8699.958 6230.942 8641.671 9204.812 7724.964 34834.64 44491.62 23397.01 30888.69 28686.51 27642.93 20068.04 27136.77 35535.76 19938.77 32005.53 35018.9 30141.21 30074.88 24155.73 32629.12 22200.04 32038.74 37866.41 25826.91 38682.48 38826.24 20725.11 29979.14 1407547 2476216 2080780 4807890 2430015 2411801 895932.3 1884641 1984305 723952.5 1287819 1187304 2724783 637468.6 737998.4 3610173 2451219 1773580 1904976 2411358 1626918 956166.7 2068676 2614178 1412645 802115.2 1348217 45426.58 908571.9 982958.3 865527 1012666 671110.4 921369.3 886082.8 896729.2 1017674 905300.3 1243382 871084.2 702289.6 1263389 664898.2 1256095 726690 1086026 1202118 784404.2 Citrate 17269.53 18668.77 22982.31 18732.51 7395.385 9491.229 18412.25 17765.65 961.2484 19711.91 13328.93 2102.928 565.1761 20610.4 19269.69 15033.69 3294.243 5377.897 90303.24 4381.511 63962.22 85164.34 49265.73 94389.12 7484.153 98287.35 8899.014 59116.48 208494.7 14673.04 194999.7 13841.94 76893.02 173475.1 301746.4 411715 17074.3 123425.7 54565.22 29647.68 194160.9 11609.58 6710.005 116103.9 106081.9 292018.9 7418.616 71046.12 81005.73 219976.2 7920.938 565247.2 370294.5 369318.6 24562.29 16638.46 456604.8 399560.9 4305.418 507601.3 2592.475 104090.4 6239.128 7857.146 268318 459756.1 273911.3 125742.2 266339.4 43236.48 6617.08 258926.6 53578.64 294002.4 241828.3 13845.54 29064.21 6336.321 17992.13 230393.1 356152.8 254771.3 269875.6 300162.5 273168.6 476846.8 4510086 6812.697 640100.1 3940.187 Succinate 480066.4 384518.4 429431.6 413503.7 500110.5 461938.8 188128.2 256109 182885.9 110216.6 124040.8 188475.3 264763.2 107683.3 93142.12 194841.1 70778.26 161072.4 132453.4 191344.5 71670.52 144840.7 101424.6 76590.73 139216.1 339183.9 181197.2 174467.5 233853.8 110121.2 371070 59914.64 85456.34 749470.5 604478.3 542727.8 168612.8 128985.4 212828.9 290957.8 385199.1 332172.3 232902 328786.1 182379.5 508410.3 185099.6 311989.2 279228.6 134257.7 179593.1 161918.3 236929.5 179362.8 337356.2 152180.2 71564.35 519334.4 623452.1 266253.2 353619.9 675383.9 277205.6 226987.2 564904.1 531144.6 841586.8 296800 427406.8 470507.2 266385.6 368523.3 273428.1 157401.8 168663.7 265010.7 292378.1 232653.9 553155.8 213793.7 325120.4 1880418 2364772 1948362 446094.4 612942.6 754482.9 2027288 1876580 885466.8 Malate 412159.7 357529.6 942572.5 270201.8 391967.1 603680.8 63107.55 116549.2 126312.4 138007.9 167956.5 78944.8 287498.1 144964.4 40902.09 131186.1 97248.75 69782.59 9683.737 14268.1 3693.798 12291.77 13424.41 8518.066 12754.15 144775.2 16503.2 22514.13 81406.12 7812.516 68337.01 6150.844 6638.253 172599.1 153784 52998.04 12069.39 14032.47 24070.97 25805.1 71292.95 139287.9 38509.25 59915.48 81910.76 209814 60302.24 38729.64 80480.51 24243.62 43498.7 35280.82 85203.74 40842.83 215885 10374.22 8281.956 147120.7 327474.7 54061.32 116339 125544.4 84892.53 43318.7 101022.2 145020.7 399951.2 85385.52 308666.7 95350.59 171172.4 97342.02 18849.3 39170.39 31457.56 58789.67 93731.88 91053.35 85063.79 47108.92 151365.4 449629.6 404577 292059.5 38384.55 134204.5 805606.2 356393.2 203879.6 50296.66 Oxaloacetate 8962.401 9688.848 15676.21 12828.73 11978.43 11256.32 11270.46 7603.051 12847.49 10213.3 9552.449 9499.602 12383.5 9603.365 8719.831 17721.97 13942.71 10761.23 11357.76 10641.67 6295.208 18708.05 13344.9 8252.507 16285.1 22022.46 13317.45 6845.748 20422.58 12109.32 23575.05 3660.54 14180 13943.15 24377.12 13545.49 12087.77 9900.44 11107.75 11902.1 15670.98 10403.55 9885.487 10452.08 15376.85 22593.54 15369.23 12451.65 6855.768 4346.512 10112.23 7218.779 13223.19 4832.396 9442.177 8458.585 7404.898 7259.493 15340.43 15043.06 9795.451 9888.366 9210.5 15983.61 14113.58 10184.2 25564.02 12128.61 16957.35 21394.02 19924.05 25312.63 15362.44 10532.11 11661.05 11766.2 8408.396 13605.46 8998.265 13635.17 14450.69 14544.44 26557.33 19803.84 10930.45 14157.14 7242.912 15958.29 5478.1 9981.927 2-Hydroxyglutarate/Citramalate 7615.908 10253.95 8765.606 7206.072 6963.621 11504.76 5256.257 7719.506 7047.813 7982.485 5530.684 4601.569 8475.497 9843.308 3099.401 7249.445 5872.035 2737.804 5117.909 7255.767 1193.712 3121.289 5142.657 5141.474 7710.627 32816.82 6657.838 4834.948 12717.47 3504.25 10323.5 4543.703 1705.178 18378.55 17166.88 9664.441 3169.227 2355.54 6315.73 5678.598 9723.212 8114.834 8940.317 12627.92 7539.139 27528.34 9678.042 9765.191 7984.938 4013.641 7742.529 6130.956 9378.746 6505.893 27327.27 5087.684 4274 13724.2 28221.23 8629.124 16284.55 16445.62 10403.25 7364.522 16460.79 20355.54 34040.84 11747.01 22486.58 11573.88 11046.16 9958.677 6126.412 6448.59 5484.447 7888.87 11855.68 6967.345 10632.81 8065.816 18041.15 28033.86 38732.53 28408.88 9131.874 18339 168764.8 20726.46 16614.05 6491.458 Sedoheptulose 1-phosphate 23037.67 17229.79 20476.79 24478.66 29612.93 24601.77 11819.21 13066.21 8323.188 6771.801 7426.024 11812.79 8447.934 12435.47 9051.312 15800.6 0 13690.81 1970.077 0 2961.646 5052.102 10920.48 3737.187 2607.671 20498.98 4812.891 8389.03 24662.24 3767.729 24229.16 4518.196 5263.835 44514.38 52932.98 20138.86 7192.351 2571.521 11654.88 10311.93 27318.84 8661.953 5628.43 18402.68 4073.769 43832.94 9166.104 16292.36 2562.09 7578.625 6250.018 6460.332 23696.06 16184.44 18675.4 1463.193 1139.839 25208.77 11704.74 15826.04 7209.595 12017.91 4450.314 10237.71 22174.5 26288.92 34032.42 7735.963 26455.99 25268.8 2489.855 64311.06 21851.46 12092.22 8987.3 9164.82 21454.49 8267.852 23081.63 6615.096 10495.11 89349.96 85611.1 71137.84 42036.97 62336.55 10371.86 18708.96 40044.18 9787.675 alpha-D-Ribose 1-phosphate 167641.4 122807.6 157327.4 127074.3 147660.1 158575.5 62648.12 60417.71 52972.56 30153 25717.55 53100.27 71860.43 57437.19 44318.16 60991.36 18666.58 60794.89 7164.902 4029.68 5028.476 13268.11 10159.58 6607 7259.843 34270.64 4758.16 15779.52 41352.31 6086.402 42010.98 1877.758 3630.957 55468.61 65485.05 37255.93 5265.491 4671.644 16977.75 8230.29 41089.3 12778.26 5975.81 24110.31 9927.364 154212.9 18864.97 10278.55 11790.07 10335.03 17200.9 11769.85 42907.79 16248.19 90307.68 1233.303 2707.424 37182.66 18335.88 23987.76 15009.25 18960.24 7398.043 64797.7 17644.47 35669.58 125546.7 18636.86 51733.84 40117.09 8590.653 79221.95 17784.56 12264.91 13207.3 10764.58 9438.809 14086.46 17527.6 10880.94 25602.3 56936.29 62926.67 62805.5 27506.15 117182.7 14295.02 19855.91 27475.46 10704.85 5-Oxoproline 8704654 7850908 7913468 7727798 9233693 8556620 2366758 3117011 1509488 1430365 1581198 1607188 4217734 1407497 806774.8 4259608 1911206 2584135 1081042 3055867 740838 1204075 577974.9 843824.9 1898186 3360695 1028773 2771764 2537300 940805.9 2105079 864317.6 1525798 3959492 3957551 7532924 1410212 3443370 1595590 6608278 7026982 4474828 2435062 2669877 2553444 4846346 2258099 14122020 3059334 1359392 2704665 2509973 2920377 2015460 7585238 2320684 2393616 4457238 6500676 4102521 4284436 3950730 3515217 4073290 5626002 12910690 4128166 2484309 4280254 2670195 1980769 2889035 2307021 2337750 1760550 3880752 3388915 3232631 4392706 4794154 4658596 6348620 9177480 6645296 3952451 5710794 6304022 7194230 6267596 3047045 S-Glutathionyl-L-cysteine 44399.87 45965.65 39567.51 53810.91 53020.73 59007.05 14849.82 20417.44 18450.99 25877.12 27971.2 35988.67 30781.74 20796.23 14883 66182.74 33925.96 44313.29 24915.03 0 15573.81 39956.44 24533.2 29868.58 8338.318 40626.81 24947.77 42121.74 56607.28 26430.38 243222 17664.6 21279.14 124964.3 130819.8 97792.62 25078.78 30336.61 41752.59 93410.55 142091.2 10606.42 10264.27 28292.27 6041.045 106502.7 2715.547 26026.95 6497.643 6952.174 6552.807 15511.52 137322.1 57381.89 112676.1 5294.195 5788.095 29297.82 40881.17 46777.78 17386.15 37705.72 12260.04 6897.402 29509.38 129298.5 239578.4 17287.95 151480.8 19484.29 624.6887 77880.51 21643.6 22212.26 12327.05 32905.94 9155.541 6616.879 123500 31896.44 145998.3 733571.8 349684.2 377307 49045.91 117234.2 99673.38 56140.91 130458.3 99501.54 gamma-L-Glutamyl-L-cysteine 28451.89 39701.45 31040.97 31664.59 48311.2 36441.31 8580.228 9682.992 6474.032 2501.374 4867.841 7702.074 19945.73 5569.185 4804.622 13534.33 5043.672 9935.026 2478.281 2360.044 1423.417 2812.341 4537.043 3363.748 5627.83 13418.19 4617.826 7261.33 11538.69 3814.669 7225.656 1607.502 718.3494 18873.83 22773.72 14239.35 3130.126 4022.208 7191.909 7200.501 11416.88 16825.98 12232.35 12601.1 8683.104 24044.41 11726.89 21799.98 10031.36 5726.177 10161.43 9278.911 17151.28 13671.41 26602.47 500.7121 1568.303 30191.38 24326.62 16645.95 24402.09 19090.65 14108.43 8870.781 17523.31 24102.31 13099.25 8600.665 5115.689 14800.31 13569 19158.24 6741.594 7901.92 2435.073 15125.78 16843.27 16865.38 16150.85 18978.25 20016.17 38693.21 34619.87 32113.92 16352.87 20264.81 100751.5 25325.4 23971.71 15623.7 Bis-gamma-glutamylcystine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 395.1956 0 0 0 0 486.2486 462.5007 0 861081.5 930004.1 1327130 812279.7 1036877 1013663 25068.32 591381.4 1089689 3788.847 4204.389 3464.22 1235102 407003.2 392643.6 741136.3 870895.8 625115.5 1150230 1197615 959661.2 656789.8 520639.2 890753.2 6140.639 629.7024 8683.331 0 1080.642 1266.941 3352.096 6680.764 1684.113 982.7883 4872.17 0 1113.546 1267.129 1677.907 0 0 1564.715 5487.1 0 2744.276 0 0 0 (5-L-Glutamyl)-L-glutamine 30246.42 35051.93 34703.55 29570.31 36170.68 30764.73 3681.377 8225.206 538.8237 4687.771 5026.891 5538.016 4254.842 2870.423 3023.862 12894.5 2107.444 11422.26 5618.602 0 2064.573 13318.64 7832.281 7856.621 2945.861 13668.44 5703.005 12116.44 18778.15 7678.758 41289.29 4438.977 12743.32 46218.77 59003.19 54195.59 12471.35 9751.479 23041.37 19111.68 38089.25 10437.16 6593.445 13773.6 2104.342 36169.22 5797.378 12483.32 8080.547 9520.644 3959.263 14429.95 25118.19 12667.42 20337.37 1624.982 1594.817 36523.77 13787.52 21562.99 4466.001 21605.59 7145.108 2347.82 24432.21 32170.13 25758.85 17382.05 23046.53 17190.26 11579.79 37747.84 12006.52 10962.87 10510.98 12376.71 11994.31 7598.975 40055.05 29420.83 70171.18 141811.5 162905.5 172662.7 49020.64 67236.53 30633.02 32661.96 132032 33297.11 Cystathionine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.1848 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dimethylglycine 110250.1 106935.1 121076.9 135691 130525.8 121060.6 31820.09 58050.97 21310.76 18998.3 17750.19 31189.33 59931.45 15801.03 18924.11 50586.83 25374.62 26748.71 32798.74 7553.219 17915.9 62290.84 53538.64 33718.04 14378.61 28743.48 16666.46 43366.61 103515.7 34622.68 127538.6 13032.2 23615.13 99036.13 125314.2 111865.2 32755.97 34014.46 61134.78 38612.46 95622.45 29035.37 49122.78 222842.1 25743.78 369568.8 42555.73 151586.5 89997.2 138226.8 50915.2 174824.7 343436.8 220331 225399.9 29167.37 23171.45 429197 93716.37 195324.8 106014.9 341759.6 77690.02 49426.45 386648.5 474431.6 81167.4 103398 74169.77 44136.53 25803.49 121093.1 79058.34 116368 74766.68 110226.3 170840.2 47955.79 54919.58 155107.9 263632.5 295770.9 283524.4 302221 168717.6 324104.5 211430.9 168776.5 473960.6 77987.41 N-Acetylneuraminate 243331.4 212130 307654.2 235130.2 315850.5 255315.9 134683.6 180872.5 113476.9 84497.29 83164.16 143498.9 259873.1 65087.55 50603.89 170241.8 108600.9 153915 18794.95 7727.36 10869.36 38001.57 27103.86 19052.39 17994.95 33066.31 18957.83 17233.12 83834.41 7870.085 102631.1 3838.765 7282.755 69731.61 114460.6 83145.15 8297.608 12026.27 23681.86 19475.61 78164.16 34053.13 30124.19 58648.42 22275.81 148669.7 37567.86 28587.47 29212.88 34655.19 23842.52 40068.96 96418.88 45292.7 68945.94 6222.683 7915.361 123313.3 76837.51 65201.89 60724.62 60059.48 42044.67 18066.1 102950.8 152302.2 70113.78 86674.59 108782.3 34547.48 29442.56 146468 25970.19 65083.38 54002.88 20950.03 22010.26 37700.07 36651.86 61413.55 187958.8 129709.6 184193.6 248133.3 66318.21 209027 66155.91 86951.72 121457.8 28918.62 CMP-N-acetylneuraminate 122297.7 97089.66 97084.43 134922.2 87524.38 155578.3 78694.35 151129.4 70990.74 67586.69 69851.4 71270.26 199182.7 54233.29 37843.18 187391.7 57863.84 76528.48 5510.666 12544.86 6211.036 15300.34 15698.48 12611.23 19481.73 48435.86 23828.52 20223.24 27222.19 13766.61 38699.19 6591.275 4411.477 48650.26 39077.81 38069.46 15389.95 7420.029 18598.81 22223.46 27757.13 35070.76 35990.92 36727.54 23604.87 147913.9 33338.72 32196.21 39649.69 13239.55 23108.02 18792.24 32819.22 25478.74 263839.1 8908.378 6078.431 45983.39 76333.94 41486.38 73667.02 51956.66 31972.18 40777.5 65400.66 33286.99 77658.57 19980.23 54853.49 12198.19 7342.846 9027.485 11032.08 24883.62 16253.54 11395.56 22768.28 12788.3 12861.92 22594.06 42294.64 44355.96 17984.55 31717.49 11112.05 20618.74 8285.271 17545.92 5745.76 9421.685 Taurine 4141491 4701416 3725681 4812380 5006634 3757541 635623.5 673064 462534.3 357473.6 337454.2 514418.8 825226 402884 349701.1 734900.3 385608.9 601325.3 1336844 522113.1 483047.8 1307268 976509.7 1812469 694112.1 980466.4 608987.6 591659.7 903458.7 1320016 2248895 686718 995419.7 1439230 1460910 1766529 788265.3 1612737 1329853 857662.3 1182655 961207.7 1517637 6099438 1040831 3543620 2725517 3782665 2865465 4783744 2155095 7387532 8264156 6883028 4230808 672741.9 537029.4 8668200 3815992 8068510 3193792 5361716 2568461 1822983 7737820 10277040 1005004 2041459 864849.7 1162490 986114.3 1103464 2725998 6213890 3527751 3110338 4583910 1921540 2040386 7070448 7418986 3077896 2676160 2139827 6212954 8930151 3898759 4449870 14376400 2893176 3-methyldioxyindole 127996.9 118437.9 109210.2 116834.3 127411.2 113716.8 3325.257 3375.437 1379.486 0 370.7498 1659.381 5553.323 1533.187 1841.488 2244.384 306.322 1411.996 433.1685 865.2523 781.4499 1559.393 360.9602 682.6592 1169.693 1330.833 1080.036 1364.776 2361.257 435.7281 669.8089 426.0382 435.3429 1166.568 0 1062.281 375.3426 363.2299 700.6711 1289.736 1107.858 775.4429 1843.197 1704.468 2344.23 8272.743 3526.574 3013.046 7029.846 2587.981 3345.599 3842.16 7682.342 4656.48 3735.266 0 673.1716 4642.665 4844.089 3025.192 7336.166 5815.23 2607.425 4036.8 5929.498 9516.886 49820.17 32947.45 49038.31 4988.371 7242.355 3540.252 28542.72 30144.63 29648.69 5490.578 9782.958 8982.446 26513.51 20766.39 33981.5 14780.71 14624.19 7122.356 24551.76 47756.86 22288.39 18369.77 10828.1 10801.8 quinolinic acid 79722.9 73187.7 90742.81 94980.19 106170.2 93456.59 5859.768 2705.424 1388.594 1273.955 0 3214.537 11446.45 1494.333 796.1251 5485.573 1835.262 4522.695 0 6883.971 323.0743 410.3471 0 390.0019 3139.594 9754.954 1509.792 691.3474 3520.185 494.9515 2573.696 1161.237 631.6797 18219.72 10225.3 2950.858 926.7289 0 2115.441 2428.174 3267.072 13489.15 47707.42 5027.58 1406.73 6564.942 21224.29 6206.499 2753.943 2314.519 1785.189 12821.83 4523.1 4669.737 179472.2 6162.074 463.3395 3086.347 11454.64 1977.94 6619.361 5216.318 1992.289 1299.253 7866.427 3389.85 24762.23 23522.41 9004.519 829.55 17631.89 5946.975 0 2764.014 2419.084 2789.438 4166.09 12905.47 8868.852 4754.555 15756.14 75449.95 47929.5 20330.26 4808.67 6990.888 9213.812 34829.39 9717.793 5295.623 Glycerol 3-phosphate 105175.6 108593.2 123837.6 102376.7 113822.8 115757.1 141488.9 167948.5 113893.9 86125.66 72933.05 122103.8 231269.3 98020.16 85382.52 174980.3 112615.5 153656.7 71413.72 82518.59 24360.17 151836.8 191585.7 89251.66 202168.4 620771.7 160626.1 254994.3 782067 146506 573923.9 67000.27 59015 836055 1078184 379903.5 74519.12 51936.07 205199.8 129038.4 528645.8 241359.1 58295.54 56174.89 32614.06 170010.3 79849.3 40284.1 60753.22 37679.97 43039.42 54840.61 75180.73 42172.36 54918.67 4945.799 5008.023 88174.77 85746.21 54440.69 71015.61 71925.65 57731.11 40286.75 90554.84 89388.01 424981.2 124003.6 382649.2 207369.1 100569.2 158479.2 40827.38 43687.56 32761.77 64702.89 77536.87 64963.75 38829.24 61879.51 172711.7 303218.1 432112.6 381847.8 41031.82 118802.3 105762.7 113769.6 124297.4 53306.83 Hexadecanoic acid 44858.86 22152.05 33677.66 29962.48 33413.05 31707.27 30742.81 17393 17426.4 13905.86 15330.23 18583.15 35099.41 16643.21 17105.09 18854.01 16006.58 18820.58 10662.42 9569.671 10859.56 10260.34 11726.08 11668.01 14399.17 10304.07 9685.62 10617.35 11864.83 11702.88 14161.4 11939.22 11837.96 11025.37 13970.52 15516.05 11930.77 14592.52 13090.28 13313.04 11678.01 9149.313 10298.13 11542.3 6454.85 12151.05 8550.371 17813.24 9098.21 17162.9 11412.74 12548.27 12116.88 12004.84 22293.81 9630.391 11944.21 19966.21 17954.76 19122.05 17477.45 23399.26 18053.06 14562.96 22887.85 14234.43 20901.08 10307.6 21810.08 19745.16 8816.997 11238.28 32283.46 37405.55 12523.16 13048.39 10947.65 9491.116 14474.15 14721.67 13444.24 12226.81 11774.29 14946.61 18200.74 12760.9 12002.64 13339.82 8405.211 10804.32 Octadecanoic acid 68435.16 43828.77 47116.86 46496.89 49324 44095.81 47612.07 28844.48 41907.86 31206.02 29865.31 35394.43 43481 31311.96 33631.76 28344.81 28326.32 26125.52 9774.161 10601.64 11286.51 11229.22 12208.71 11904.39 12871.27 10728.34 10061.74 10220.97 9664.797 10958.5 14156.85 13095.18 11290.44 10733.39 11865.73 13078.05 10706.09 9693.649 12284.84 11055.17 10135.35 8332.36 15838.92 11948.1 6841.507 12378.66 12152.21 21019.25 10083.56 15687.72 15329.17 12884.16 14330.17 14612.64 21339.02 9215.585 11911.18 21218.09 22332.82 16173.73 17202.34 24178.01 21063.56 17455.26 26058.56 15507.69 19122.91 12641.79 15267.58 20627.26 9830.087 9916.265 37039.71 39234.78 14226.46 14174.15 16271.17 9222.591 13349.79 12850.22 11072.19 14102.07 12205.4 9815.854 15614.08 13730.09 11434.84 15931.58 12480.45 11807.88 Hexadecenoic acid 15936.39 5260.427 13087.27 11562.89 12347.13 10144.27 9455.458 4296.98 3979.573 5357.658 3914.26 4857.356 10211.45 4437.5 3552.115 4592.364 4481.916 5409.589 2001.937 1208.488 1821.034 2026.486 2212.814 1624.784 1479.152 1521.543 1974.808 2384.99 2184.459 1635.909 2574.121 2452.71 3041.344 1816.14 2641.363 2237.25 1572.154 2217.41 2174.669 1553.673 2142.911 1888.481 2685.045 2455.556 1228.59 1147.139 1797.343 2114.271 1142.62 1628.848 1092.535 2820.321 2631.818 3011.91 2372.487 2033.741 2245.538 2666.003 2780.492 2108.773 2114.615 2800.844 2587.137 1793.327 1663.06 2109.154 2387.78 2950.439 2362.618 2325.472 1849.433 1673.602 2740.438 2926.771 2432.404 1878.805 2004.253 1639.684 2035.714 2144.181 2835.093 2669.004 2726.476 2322.478 2180.51 2933.578 1819.03 1764.224 2284.146 1454.289 Octadecenoic acid 103234.6 27443.36 77990.92 55350.32 62200.98 44133.12 45317.57 6151.115 9742.177 6837.867 7526.429 13102.74 58858.22 7894.764 7087.329 8830.392 7608.744 9312.361 2620.582 2540.557 2081.279 2948.331 2756.303 2778.377 2764.816 2336.484 3445.321 2721.655 2866.857 2712.846 4498.788 2527.647 2840.828 2818.34 2771.179 4160.756 3079.22 2783.868 3715.406 3031.302 3870.861 3389.509 2766.011 3257.636 1969.939 3357.669 2005.901 5783.531 2682.82 2800.885 3857.858 3319.352 2328.373 2948.854 3370.124 2906.332 2588.856 4538.737 6153.952 4502.435 4094.826 4885.889 3653.561 2816.73 6287.706 4275.407 5923.822 2585.636 4466.192 8118.436 2725.817 2925.608 4763.458 5528.711 2407.119 2387.348 2458.41 2045.648 3591.899 2292.912 2812.298 3490.481 6527.998 2954.682 2519.083 2464.372 4743.614 4738.237 3035.645 1863.672 Linoleate 6486.303 2679.243 5488.448 4826.158 4062.233 2906.118 7807.896 1700.472 1628.688 1624.164 1425.191 2135.979 14262.09 1933.415 1674.64 2590.766 1754.757 2003.328 902.4625 1908.14 2013.596 1292.768 843.2866 2190.534 2558.635 1533.016 1452.563 1338.486 1547.746 1772.531 2431.977 1805.71 482.7909 1527.662 987.5432 2619.794 1724.514 1919.349 1800.268 1727.915 1722.769 1608.476 1533.028 1176.064 1271.472 1622.3 1770.085 1511.714 1992.252 1596.78 2836.485 1535.936 1433.588 1365.362 1809.218 1985.054 1629.067 1700.616 1513.881 1027.052 2132.865 1929.032 1791.458 1619.985 1257.243 1416.634 2358.211 1831.118 2080.667 2681.771 1870.93 1317.844 1676.071 1793.714 933.4719 2331.123 1823.896 1642.262 1939.709 1734.065 2039.064 2059.795 1940.231 969.9306 1713.769 1599.894 4546.921 1559.011 1867.132 1904.229 Eicosatetraenoic acid 149367 34292.05 128592.4 89474.84 96703.85 44466.25 132213.9 776.0366 8383.988 251.1818 2767.558 26587.53 286153.5 1946.959 240.7753 7935.48 1672.564 7006.87 1159.485 811.0274 801.5703 1698.977 1038.566 529.0706 1620.771 3094.331 1081.681 1155.156 1425.295 1437.389 3126.348 1094.029 1253.682 3169.246 2550.093 4741.383 1195.482 1064.534 1326.71 1210.67 2956.269 3972.129 867.1282 789.7969 1163.311 1279.02 1230.299 2247.236 1057.732 1268.524 1586.732 1987.507 1881.721 2156.858 10602 725.5842 1262.731 4541.945 6487.509 8180.307 712.5572 5674.916 2946.821 5790.823 4302.727 1707.423 11941.84 576.9829 13171.26 32199.13 1544.884 2315.788 6228.223 12797.7 1144.055 2725.975 1242.567 797.4612 3157.452 2064.715 5266.853 6762.785 17457.92 7549.288 2055.617 3369.903 1528.669 8978.181 1123.938 2550.616 metabolite_name KEGG ID m/z RT ATP C00002 505.9883 3.893 ADP C00008 426.0229 3.875 GTP C00044 521.9840 3.890 GDP C00035 442.0172 3.869 Guanosine C00387 282.0842 0.970 CMP C00055 322.0448 0.739 Cytidine C00475 242.0798 0.687 UTP C00075 482.9611 3.885 UDP C00015 402.9951 3.860 UMP C00105 323.0289 0.780 Inosine C00294 267.0723 0.652 Xanthine C00385 151.0251 0.880 Urate C00366 167.0203 0.847 5-6-Dihydrothymine C00906 127.0500 0.648 4-Pyridoxate C00847 182.0430 0.662 Phosphate C00009 96.9681 0.774 Diphosphate C00013 176.9352 0.783 D-Glucose C00031 179.0554 0.661 D-Fructose 1-6-bisphosphate C00354 338.9938 0.639 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 168.9883 1.760 Phosphoenolpyruvate C00074 166.9741 3.846 Pyruvate C00022 87.0073 0.787 Lactate C01432 89.0229 0.857 Maltose C00208 337.6981 0.664 Sorbitol C00794 181.0706 0.701 D-Ribose C00121 149.0457 0.803 D-Rhamnose C01684 163.0606 1.778 Citrate C00158 191.0188 0.570 Succinate C00042 117.0179 0.901 Malate C00149 133.0129 0.775 Oxaloacetate C00036 131.0006 0.717 2-Hydroxyglutarate/Citramalate C02630 147.0288 0.850 Sedoheptulose 1-phosphate C06222 286.0839 0.644 alpha-D-Ribose 1-phosphate C00620 229.0116 0.663 5-Oxoproline C01879 128.0341 0.829 S-Glutathionyl-L-cysteine C05526 425.0809 0.628 gamma-L-Glutamyl-L-cysteine C00669 249.0568 0.863 Bis-gamma-glutamylcystine C03646 497.1052 1.777 (5-L-Glutamyl)-L-glutamine C05283 274.1048 0.648 Cystathionine C00542 218.8268 0.614 Dimethylglycine C01026 102.0547 0.645 N-Acetylneuraminate C00270 308.0992 0.678 CMP-N-acetylneuraminate C00128 613.1412 0.840 Taurine C00245 124.0060 0.637 3-methyldioxyindole C05834 157.3802 0.914 quinolinic acid C03722 162.7286 0.777 Glycerol 3-phosphate C00093 171.0055 0.676 Hexadecanoic acid C00249 255.2329 2.889 Octadecanoic acid C01530 283.2642 3.377 Hexadecenoic acid C08362 253.2172 2.604 Octadecenoic acid C00712 281.2485 2.922 Linoleate C01595 279.2329 2.692 Eicosatetraenoic acid C00219 303.2329 2.587