metabolite_name S10R1 S10R2 S10R3 S11R1 S11R2 S11R3 S12R1 S12R2 S12R3 S13R1 S13R2 S13R3 S14R1 S14R2 S14R3 S15R1 S15R2 S15R3 S16R1 S16R2 S16R3 S17R1 S17R2 S17R3 S18R1 S18R2 S18R3 S19R1 S19R2 S19R3 S1R1 S1R2 S1R3 S20R1 S20R2 S20R3 S21R1 S21R2 S21R3 S22R1 S22R2 S22R3 S23R1 S23R2 S23R3 S24R1 S24R2 S24R3 S25R1 S25R2 S25R3 S26R1 S26R2 S26R3 S27R1 S27R2 S27R3 S28R1 S28R2 S28R3 S29R1 S29R2 S29R3 S2R1 S2R2 S2R3 S30R1 S30R2 S30R3 S31R1 S31R3 S32R1 S32R2 S32R3 S33R1 S33R2 S33R3 S34R1 S34R2 S34R3 S35R1 S35R2 S35R3 S36R1 S36R2 S36R3 S37R1 S37R2 S37R3 S38R1 S38R2 S38R3 S39R1 S39R2 S39R3 S3R1 S3R2 S3R3 S40R1 S40R2 S40R3 S41R2 S41R3 S42R1 S42R2 S42R3 S43R1 S43R2 S43R3 S44R1 S44R2 S44R3 S4R1 S4R2 S4R3 S5R1 S5R2 S5R3 S6R1 S6R2 S6R3 S7R1 S7R2 S7R3 S8R1 S8R2 S8R3 S9R1 S9R2 S9R3 Alanine 1176710.743 637654.2192 508957.3626 703521.3103 1045557.086 959266.542 338991.767 504233.2186 803182.9557 661223.3289 844255.6231 459554.2965 1060298.397 934179.8563 1211036.735 868606.3775 695177.433 445522.797 857619.687 1477689.366 1329813.27 557961.6297 675541.5473 479478.9116 557689.8775 1144353.848 1087810.967 612876.1075 800770.5063 600254.5609 814014.72 854817.1927 486580.559 1207295.655 2514390.669 791032.7496 NA NA NA NA NA NA NA NA NA NA NA NA 1166252.303 1688980.947 1794740.426 863837.3577 1572723.547 772966.7731 1502842.543 1029103.984 1081139.31 882237.2015 774960.9268 773742.6926 1070716.429 922809.2006 2033584.972 1179653.102 726172.7452 1023197.677 898000.6175 710460.1665 420802.2489 625978.7881 811575.952 876185.4625 1028965.436 1113201.873 905309.9451 649972.0388 358634.7147 1317195.903 1132931.979 3164798.473 1348125.184 799531.9196 1051504.322 2489067.88 1435577.405 2094478.081 822269.803 692790.6667 715720.6305 1003247.931 490633.5825 483688.9613 1243936.319 679719.5797 1289386.988 2107318.569 718660.9659 1598088.692 824862.9574 943793.9884 705312.8144 363111.207 570951.7086 897329.7416 814301.1894 750194.7227 609773.905 1061267.058 818179.9058 439004.3076 584077.556 494715.9207 694058.8744 456507.5522 519454.114 589094.8532 504588.0889 809783.3365 777358.3622 518453.5159 622245.1041 1061624.319 490233.4834 794943.2749 751543.5412 694397.4478 821806.6019 795483.5838 719001.4628 852501.0709 Aminobutyric Acid 395840.5987 294470.2677 302657.2865 104752.6171 108060.0176 65520.25599 113429.8074 32052.54565 111185.555 126786.5419 139947.4637 105922.5029 205534.3146 54997.8084 127000.7602 241657.8609 88464.30446 105873.017 117598.8451 164125.0886 61287.82651 181988.9922 106054.3835 99050.39914 93121.21814 149875.1602 114492.5187 81925.43237 61649.91488 77594.85431 73137.19947 63807.69608 87194.2122 139898.6694 109716.5149 83055.11824 229839.1684 78431.30929 112243.6001 331527.749 62227.01759 41990.56638 177525.1677 119858.4272 159371.0579 90366.57856 55951.99663 110947.8982 136571.2841 148146.1207 44198.14175 158385.2225 127525.4833 149202.0505 130029.1559 89831.48357 95984.0921 53999.86988 174587.0856 79121.44533 95924.88931 285110.38 120872.823 103965.4777 148934.4613 91016.99829 82834.19038 78862.97482 30786.70259 95120.79349 114824.2462 229275.1414 145036.6509 185619.6861 196559.7995 156038.4938 79187.08745 136194.8693 300766.5921 150399.8843 299682.3268 122104.786 233783.1569 126778.3091 180266.3702 60685.05812 99967.98653 145811.1987 109977.1976 78534.45592 102246.2487 112705.7618 111349.9938 116098.4411 117557.1028 142123.6064 231161.02 144565.3524 101508.4213 62042.15707 83544.99581 116880.59 33857.58319 243439.9115 104767.5368 125072.5428 201221.0826 312474.5026 226223.2627 7211.277383 201561.3302 281268.8537 284330.6734 144178.1335 137586.2696 101204.127 265971.7725 515534.6583 281713.5872 124817.2245 168024.5696 199586.6327 186515.8674 215578.2216 259103.0363 110127.1442 108857.6247 125784.5395 178268.3442 299153.1217 Arginine 396703670.9 49403593.17 67981435.41 33887328 35625510.18 32826350.97 16643642.58 21602420.57 54263162.67 31422386.29 46121006.45 27936312.26 122296118.9 31473232 53421728 90439579.43 39520621.71 33610331.43 54275913.14 62712653.71 32117346.29 64540649.14 37954566.86 29293717.5 38047762.29 51480050.29 54230669.71 32221920 40064356.13 34158975.48 81304402.05 27373153.52 29855155.56 35700530.29 47475538.29 37201101.71 74738057.14 49293243.43 89279186.29 182020352 40168626.29 52267716.57 76739245.71 82141348.57 97016448 41257005.71 74116813.71 75118194.29 101465609.1 54287524.57 48626308.57 61110797.71 56801961.14 42296996.57 94195145.14 45497677.71 50223154.29 58570061.71 58396941.71 27494288 100679634.3 68141101.71 57405815.17 276441971.6 199181509.4 43638965.33 78033801.14 45161522.29 30693236.57 56616708.57 88495131.43 78046957.71 68773787.43 72244201.14 75494029.71 84467044.57 39893266.29 91265691.43 102357357.7 84811894.86 103544804.6 57997485.71 85805348.57 92418880 104549476.6 52032141.71 46518797.71 32773053.71 42453014.86 31505522.29 21950546.29 48786281.14 82783424 47229508.57 58175076.57 32862816.03 35519004.68 178467087.1 39865005.71 46650779.43 99336896 81979401.14 41805019.43 59710953.14 41923689.14 39109174.86 64692749.71 42790144 92605403.43 63905659.43 99498029.71 43259483.43 69225389.73 50003721.16 32087280.02 32087888.05 234484644.6 118542208 238873508.6 143415424 143795885.7 227930624 49198939.39 209939419.4 78133888 193156809.1 226994505.1 179268605.7 177286547.7 68012207.98 Asparagine 771915.1598 361011.1186 681232.5796 191931.1305 332163.3406 345824.27 219291.354 188933.6339 353563.2522 279937.9937 536725.2399 326442.8312 535581.9179 526508.0701 477772.4376 772002.3224 714636.0802 406494.0814 464396.7456 382023.5483 530887.1416 848422.0813 475657.4453 457953.1999 296080.8785 417648.7821 465146.7076 342661.145 422407.9274 387859.5554 242109.5518 279630.3519 371718.1413 598662.0377 949527.7783 488630.9747 NA NA NA NA NA NA NA NA NA NA NA NA 554036.7883 561593.0258 443877.4636 574762.7476 540173.9636 405307.1278 518024.7906 286961.5716 318701.391 384512.5293 460757.1245 142699.5625 685830.5749 283402.0234 753922.6081 634443.5815 586758.887 283489.8259 469484.7 566840.3089 301249.2275 480943.1526 721143.2502 552231.2395 567466.0162 787408.3953 599865.7649 500357.5931 374688.1399 545587.941 859224.7488 672412.96 946932.9773 624310.1352 784866.039 792035.5523 644445.7975 614768.7497 542734.9898 414120.5151 440898.7774 366973.1944 327435.6011 335087.2589 491726.094 504672.1678 761407.5963 666890.0879 508779.1549 676747.7384 266635.6304 243264.3647 357106.0723 393115.0164 416719.1579 412395.3601 530829.1915 391881.0669 609403.6044 572541.4357 438832.18 376657.8959 513279.3334 395234.7403 576888.6757 568209.4341 470647.3312 525743.491 631908.8034 588803.8801 620622.4574 409497.0646 409499.7968 513761.8436 354992.5602 604489.1669 537984.8806 661981.3278 748209.8586 531415.3167 440615.2312 850701.9484 Aspartic acid 1397497.918 1020041.879 1810439.724 766745.3607 974757.0657 927225.1299 403291.4242 655143.0524 955698.4272 746651.9206 1045208.47 937999.5736 797279.0816 577336.6353 813625.0607 623213.1236 1184035.239 437305.7493 671047.8806 881710.5488 926719.8451 1394210.015 746135.6922 1304417.316 833409.6712 1053651.703 1455016.198 582742.8744 487092.3668 986048.2311 346932.0052 899484.23 1024001.607 659101.6881 1253432.108 567043.5859 NA NA NA NA NA NA NA NA NA NA NA NA 639693.6126 877551.691 965714.6321 683725.8298 1183128.871 725774.6243 1356608.152 860258.3272 1186441.759 874020.1102 765524.2168 466352.4464 801509.0629 595566.4322 1326683.543 745593.9825 978147.8165 834555.6854 719348.8234 450235.5422 457905.06 653649.3367 787256.6172 763442.1651 873935.7181 1378209.862 984329.6048 817297.7597 947755.3404 1274877.563 1101565.558 1150507.336 1626742.961 949683.9891 1178862.928 1734151.114 1150475.841 1525046.032 685411.3428 663086.5963 897439.1171 947488.2308 766090.5797 987271.5871 961659.4414 941944.2001 1098952.118 994158.734 1162088.801 1367537.459 684197.0321 917830.2139 602364.7415 567208.1911 761163.4333 787699.9839 556823.0792 587896.4581 526630.5876 856630.7114 754730.4011 475828.9382 674114.1051 496265.4768 973274.7768 1649131.226 1063859.717 1169832.035 1434162.184 1609636.156 1484208.23 1123028.691 964650.8087 1165426.625 1252264.248 1035468.307 1133113.605 827075.6835 1145133.719 780767.8118 900488.3769 1452267.966 Choline 273332683.3 147355868.8 198525270.9 139950939.8 175463208.7 100852488.9 53514696.21 61528773.6 252349840.5 146712338.9 133327564.7 122743065.1 181087313.3 142249221.8 166205360.3 231790687.4 176282157.7 115261438 168870033.5 227582590.2 180416512.7 214123721.7 110209098.1 140853833.2 125320143.3 170318160.3 164202846.2 114089280.7 66908248.07 150673875.2 65808660.7 74989350.82 34612454.63 191018643.5 175162712.4 123720696.6 203486628 294468571.7 362238783.4 516421597.3 258822971.2 247363153 240669313.9 343274310.7 376527454.3 178940762.6 271753654.9 274256253.2 217615126.9 282970731.6 230053797.6 260152612.4 384709771.2 312499791 387928806.7 239762352.4 257314282.4 294250300.9 454773067.5 159919256.3 424942672.7 340646982.4 374852061.9 151831898.2 147593393.5 137911339.8 259622534.8 189069011 93007386.35 286651526.3 225182522.7 464186692.8 350305979.1 335222076 456099887.8 314875310.2 193486583.6 374941904.6 427187495.8 387117406.9 419131812.8 309086973.3 400023604.4 404799360.7 377123291.1 300567639.4 255578210.3 189222393.3 318224335.4 244749034 174805143.2 324627775.7 361863558.5 382226593.3 203967449.8 114119415 158537809.6 118446301.5 289796085.7 284579311.6 214698522.3 235031180 241695515.3 453434082.6 177659279.9 217371459.4 242670953.3 433435971.9 400359255.2 253910218 422420967.1 241035549.3 151536188.8 149065417.8 118804514.7 125104998.6 163066160.3 274267585.1 187804471.5 114707774.5 123822199.7 150554131.7 121214975 134554947.1 154746329.6 133584607.2 151965104.8 126131989.4 127450444.1 144203213.5 Creatine 31435275.43 24076182.86 65289440 17102612.57 29673726.32 18120223.23 8979842.581 12328789.71 13513430.67 15809704 34898941.94 63306152.26 22669810.29 17459739.43 27021225.14 29220944 20817698.29 23056916.57 63209014.86 29032509.71 34693293.71 34666525.71 27052724.57 105964460 28987049.14 31161737.14 30085362.29 26999814.86 26012707.1 30760072.26 61526851.28 19361523.72 12800987.78 24322480 35220754.29 34026592 15017422.86 15948595.43 491944265.1 26593099.43 15982868.57 16429900.57 17977027.43 31657680 25754208 11114027.43 29691782.86 24104422.86 24813410.29 165656996.6 40695657.14 35877764.57 29463572.57 13027820.57 37907403.43 12905556.57 42673522.29 16102577.14 17541200 43481654.86 344795757.7 20811408 26458551.72 17936018.06 18965002.41 12530560 27546930.29 18228936 11305225.14 24244788.57 19435638.86 21867216 28481236.57 27121728 33372425.14 17925420.57 255171437.7 37051433.14 127578578.3 148932022.9 38225410.29 27533949.71 24175497.14 35765453.71 24423275.43 26045053.71 30930610.29 17201930.29 20848811.43 14796477.71 18512762.29 28026418.29 19544294.86 39464475.43 19315618.29 27440637.71 89852555.29 29503223.53 31787049.14 18865272 46590774.86 24084283.43 26838100.57 21993373.71 19943456 50826020.57 49356763.43 46132242.29 20540774.86 62805915.43 55127483.43 193899062.9 27620564.57 31675213.71 25158880 71021408 24431741.71 30298352 21851225.14 19562875.43 13905979.43 33472962.29 16489857.14 22968114.29 19186580.57 15871048 18239369.14 15893160 18566267.69 26754622 Cystathionine 230409.713 115321.3588 198348.1149 98326.66394 84871.9156 72877.71921 19789.29219 36726.86666 90233.24296 49521.01458 60301.24123 54739.88416 75920.47987 69187.09245 124956.7712 92963.53216 70443.63413 47300.2207 48954.38432 130005.4706 67900.51734 110568.4522 61482.36555 56228.22514 45928.31195 80198.03262 74470.27459 49355.52398 19258.05908 46116.44391 101942.9338 28831.46967 53431.07767 64775.09879 110660.1656 39999.15639 NA NA NA NA NA NA NA NA NA NA NA NA 75536.96549 144042.4399 88349.53792 119325.1201 46883.27708 51972.31866 156757.6229 54093.74893 98969.86822 62665.0868 77498.45841 21609.78689 86138.74037 48599.92243 56572.32366 90447.96121 157583.1883 55774.52494 131491.4369 77471.14677 21701.51278 90507.87422 123604.391 135079.5062 105145.8803 145914.1638 136430.4017 59731.18286 54104.51597 74790.30171 118596.4476 122652.0011 135084.5465 74279.82468 89009.83003 168236.6892 148779.1882 124208.4584 112993.4713 61435.48638 89505.21295 87303.48278 60853.85824 68530.61078 111560.6503 126612.6646 141641.134 48693.10197 113134.6883 59775.04653 32191.50576 65009.51497 69198.36373 57046.49128 56582.86303 112079.7401 76989.71785 93050.09807 112635.2567 96372.49307 154188.1026 115169.2353 120863.4681 82960.34034 88823.42169 111589.463 90761.53159 148804.4036 136475.3458 206075.8754 172965.0154 71574.38729 114246.1326 82234.63543 112640.6786 99436.93526 153829.1888 126309.3182 149137.0639 160016.2574 179778.1624 156514.4586 Glucosylglycerol 502751.3088 261954.6321 341531.7882 311893.9088 252498.7039 144524.7503 60167.2321 54197.3864 158495.0125 212376.1018 146504.512 103566.8519 147400.9312 211221.8392 335835.3395 291848.5819 239107.1704 142532.5408 260145.7586 335672.2749 344434.3266 364374.0852 174848.0264 160248.467 146936.2744 267168.015 202286.3537 102260.486 38647.61684 182013.337 26068.36105 93990.47307 56238.78309 185069.7987 269722.9715 120947.9751 262933.7415 451689.4646 593148.6903 523475.9269 253970.3632 416885.6885 480773.867 519899.3499 468429.6 152335.933 235488.0135 398435.6926 172125.1595 133747.3034 85801.20075 313459.1761 448972.6896 352347.1257 420381.129 335574.9948 239833.8622 319212.4321 523560.2724 168524.4388 265739.3163 330643.3098 154098.9461 214975.4708 287612.9471 247504.8484 398898.6732 266382.0329 104410.5836 311059.8932 278348.5003 380450.7873 347870.7584 414440.1186 438279.6504 205692.4674 157642.9082 459824.6139 457508.4176 326914.1939 415365.8848 196489.0181 361809.6783 324931.9124 354310.7256 213104.0441 145263.7429 152207.3899 172401.4503 225684.195 88537.24128 231258.6275 317259.6258 328694.381 211974.5884 195744.1738 298985.1851 238151.3175 193101.9774 198227.9239 239557.5435 179974.1239 146981.9839 360668.834 125332.5315 122264.8345 188710.0709 278056.7184 195009.1484 252334.8401 454507.4875 147194.1617 323796.523 227410.22 174693.5907 316675.1474 362051.3928 393379.3009 321887.841 270581.0336 181804.8892 166197.8882 219684.4217 231820.9622 331550.6504 244663.6352 195821.5003 365290.025 292333.4518 395881.9274 Glutamic acid 162148132.5 75282083.22 85289565.71 86307672.41 73467799.47 97877986.02 58133297.72 41885230.2 16156626.74 62937376.69 62606264.45 53367609.69 85324074.85 75249974.83 135369748.1 116360726.8 82887969.87 103514156.4 78820038.28 67356715.73 64183830.95 110165659.6 81468900.86 58238003.17 38186551.81 76391091 92682794.52 75494017.78 95360816.95 62591643.51 42990932.64 63142513.52 125637818.6 81420542.65 73796546.94 114241405.8 NA NA NA NA NA NA NA NA NA NA NA NA 74415005.21 53037441.61 58497148.48 63747594.99 64718003.48 43850204.51 59007038.84 52294168.33 52586708.31 57768272.01 49886921.28 33172539.38 34645797.54 42498685.74 26413444.64 89518047.74 146297039.7 68262476.59 64125404.84 52774670.64 57160498.81 52058387.84 103350232 63137633.83 51512075.22 77414038.79 52472941.73 44076743.56 56096238.59 98967991.39 79351143.1 54605450.37 74522754.05 52122051.84 90823569.28 103694309 66797206 95975965.96 38737730.95 40088415.53 46755245.85 73258424.08 24996058.65 64527622.04 63432979.3 61952816.25 52673043.88 64998276.68 59092349.76 132319180.5 31347119.27 66106051.1 60256774.52 69833436.95 57617905.45 42282558.84 85263110.43 46010924.79 90897384.95 45572284.66 46104156.47 55341521.73 74759076.58 52298241.17 71199180.42 80804662.01 66121153.86 63476143.79 108512025.5 110100654.4 142924621.5 103740261.9 135302188.8 112449210.2 92008246.95 106901278.7 126885392.2 114939923.3 115577841.7 144687492.2 168160823.3 155545058.5 Glutamine 99920762.57 78394833.17 88953268.41 52619625.83 60343989.68 62305800.67 34139316.66 43918718.47 78752306.71 51435511.59 82176563.52 63860194.43 60223603.36 53501748.38 74301744.41 62252163.83 94695395.11 44483078.61 53621321.46 85949611.77 70330147.6 121559830 59274947.19 74374666.65 67917632.57 91108048.98 98182344.88 45767017.28 52193049.93 60978110.84 30305895.02 62087332.82 53173500.79 68219903.57 74180955.71 50599682.32 NA NA NA NA NA NA NA NA NA NA NA NA 77033814.28 72049300.55 68880151.44 48993214.76 91528782.49 47845108.55 98119742.33 54749966.69 67301906.44 74153931.69 78770781.01 29028529.38 77999743.44 11967946.97 81101093.62 66226471.87 65899061.54 82487341.89 57386155.49 26422315.84 33976942.15 44511918.82 25380862.23 61766635.37 68992451.44 57584776.68 75510105.55 40250739.48 63880759.43 15902491.32 103089981.4 47734229.67 85739920.57 41548254.45 18837121.7 102023539.3 30402268.78 50527210.2 45812905.86 44080301.61 34973621.44 49552909.53 37436117.68 14900301.23 73381229.84 17539867.89 77391747.58 69144741.34 73816147.92 71725250.25 11558440.66 53222302.58 25568433.68 11773346.26 37634009.82 17669588.45 38951681.6 37230868.73 43043743.67 52417189.96 19002719.08 15995766.49 66563002.46 33392915.13 60192549.62 70308954.38 71477983.15 73240946.9 61933506.1 93153642.79 79184872.13 53210704.14 62089193.49 63636009.85 56291511.07 71861518.39 57397529.29 59640842.78 80203141.1 64065876.92 57264626.46 80711422.46 Histidine 27554882.18 19651562.31 27177293.37 18031423.1 20312904.97 37208245.24 19682695.56 17930615.89 32352010.51 20818002.87 46212983.39 24212450.88 26517603.26 24307823.5 32162295.38 31603243.06 20147143.72 23936184.26 49281865.1 53161365.32 31514624.1 23827991.05 31575246.96 14820978.42 27919526.55 38155439.25 37435978.02 28705572.8 46413398.82 30550067.98 12803658.37 26969905.89 16826757.04 35358014.55 90519245.63 41603078.1 NA NA NA NA NA NA NA NA NA NA NA NA 33143907.87 39131263.68 27388281.82 21469292.27 18320901.54 14873840.77 25401918.27 19806434.34 15885185.49 17200932.96 15637406.81 9805725.883 27548043.19 13617120.42 64218542.84 35291386.28 16665745.45 23284069.39 28257999.33 16727502.2 13581596.42 15685766.85 17842589.92 18182933.42 28685603.05 37112895.26 19194670.41 19985248.59 13516306.49 23690829.04 32139243.06 18555993.68 34637747.01 24012489.44 22705019.74 36687265.3 32685514.45 41566972.21 25958110.78 22941031.84 15860213.62 25928587.49 19727641.69 20039871.01 24382135.11 20471928.12 43177938.66 87856766.56 28447718.88 71203118.14 30787251.89 18957908.52 23185489.08 14425494.39 17070401.6 26184556.67 32117974.02 48055169.57 23224336.93 36405901.37 35179538.04 21952341.46 21983732.5 24169588.81 28507462.23 26869525.65 22266970.89 24697144.97 24800617.63 26141112.71 18507792.89 18279795.96 13095850.57 36633227.07 25794703.82 27866982.51 22354351.27 19793838.31 21345993.91 13251731.77 15643885.86 32445116.23 Isoleucine-Leucine 12728890.29 7864165.009 10890189.29 8125342.529 8758943.315 8330443.003 4933579.234 4828550.684 8506295.369 8222696.587 15022949.72 7428098.126 10567272.83 10175226.93 9213020.405 16547789.25 10173878.43 8884608.03 16974342.83 12498860.94 9697263.079 11500559.01 10705620.39 9448390.934 8256962.907 9511278.219 9262002.295 9584210.35 9443154.353 10175374.97 4400288.455 7286806.571 5967674.041 10547072.22 24833102.8 12393566.52 NA NA NA NA NA NA NA NA NA NA NA NA 11534541.61 15658157.72 11793638.1 12744450.96 13158373.34 11787776.73 15126923.42 12581847.18 11537857.64 11563513.71 15961173.72 5489923.141 18530633.74 11027450.83 16940966.45 11919131.34 9505937.488 8835736.589 12057963.14 13303300.97 8528795.465 13531113.83 14928383.57 20166786.1 19041286.43 31209363.93 16105501.27 13877788.62 8828381.938 16113944.17 18800658.16 14884684.08 33312994.31 19954722.75 19496259.74 19673210.58 15461691.23 12852512.29 13243086.91 9061351.753 13362444.26 10917504.55 9357676.428 11963579.25 16462248.15 12567903.95 20265903.11 17581866.16 10947478.47 18261980.24 10820364.86 10853292.88 10003932.91 7253572.798 10193744.67 13283774.64 11449738.66 11091878.36 12533818.27 20006048.67 26159077.94 13134720.57 16577707.99 9622839.307 10958617.5 11922428.39 10688493.73 8998254.891 9950495.177 12793226.72 10063007.41 6073283.989 7240617.451 10490475.47 8114671.899 8278028.815 10345319.35 8067886.941 8436518.099 7679569.9 6896648.343 13545709.93 Lysine 10664226.18 1124127.59 1760342.167 1364409.893 939945.0733 961292.4002 565523.5358 521184.4214 1173375.864 1052548.889 1311833.243 748978.2856 1248263.626 1317480.889 1466403.015 2661584.287 1111893.217 1161687.665 1499504.705 1984011.167 1234397.151 1621285.677 1048024.493 904788.8034 805863.8139 1526345.51 1257436.59 968912.3995 1364004.747 1084900.426 2050158.607 636208.772 746858.9312 1973123.839 2625449.237 969852.0348 NA NA NA NA NA NA NA NA NA NA NA NA 1817801.083 930226.1263 1673059.173 1310475.392 1902680.562 774016.1208 1863388.952 1463222.24 1530551.233 1221349.677 1009831.06 529386.9598 1858900.514 1119366.45 1170339.404 9144308.014 5212079.416 805278.7347 1577599.288 1015156.412 598171.275 1041050.678 1612952.534 1186875.98 1029302.834 1179167.541 937534.1182 1694518.5 665511.3694 1693240.963 1879431.586 1492031.014 1508468.871 949980.72 1265070.54 2390691.666 1870705.463 1799091.997 530242.9509 494558.7724 674121.0731 1298915.739 333503.7942 1174218.243 1592201.948 758582.665 728759.3342 1555370.523 1087375.526 7950095.338 394705.5048 1275877.377 1313444.397 1018742.95 524358.707 688608.7807 1090380.392 660279.0072 1350370.717 665805.4184 899555.8973 1423026.946 1630948.19 777917.1919 1420109.756 1364268.697 978363.709 994479.9772 4994630.831 1682839.29 5122705.497 2995167.025 4146369.906 6404263.237 928172.2522 5636813.919 1719092.774 5861604.358 4809082.355 6130113.516 5592386.288 1803392.916 Methionine 3240833.526 1740723.083 2030754.3 1299933.629 1872497.975 767740.0993 503289.0261 773782.1748 1748734.616 926110.2484 1250270.266 616517.7379 1997711.569 505657.3829 1649395.727 4085908.813 2212203.297 2086708.798 3412165.132 2284224.231 2288746.423 3092438.543 1203235.853 1080256.335 1003335.819 2131979.366 1362736.777 842228.1698 687801.2616 1128649.959 276460.1202 573067.6221 247833.8369 649125.7956 1996469.403 1640683.06 3369368.168 2483283.93 4596062.018 11108348.56 2359077.067 4960294.461 3385343.386 4704782.899 6778167.021 3636856.577 3071928.862 3902035.505 1539593.114 3722612.593 6484979.492 4450830.675 7369950.194 3114994.318 8070055.572 4541208.994 4432884.824 3494097.452 5126438.467 2603119.473 7089843.4 6585029.626 4602422.814 873137.4647 1624487.435 2062700.273 3630097.623 1637777.948 877133.1638 3590805.694 2043354.34 4114883.707 5209756.52 3973602.65 6269407.206 5862874.616 1493960.232 8511393.306 12132808.71 6024055.251 6583368.139 1934654.953 5331286.935 3619675.522 4577781.58 3574078.49 3806627.619 2897533.333 1490363.175 869675.7597 1704342.997 2098485.959 3812826.449 4534321.002 4785825.587 1219490.743 1825429.932 905284.495 1278842.486 3504249.357 1687465.366 2433740.406 1916653.355 5831269.528 2461288.203 1653513.176 4649267.396 4582875.909 3398116.443 2960118.321 3334018.754 2723802.982 1467841.46 1455123.099 1722662.11 1710396.444 1160631.005 2379398.578 1964271.74 614182.8548 760275.0398 476866.5395 997700.6972 779071.48 2216423.761 1818035.116 1646948.544 1484561.991 1052322.722 1651715.361 Proline 21190416 10332600 9034356.58 12052029.71 16337849.82 18333281.29 6772823.226 6632132 16922098.67 9171440.571 20829861.94 9557677.419 70062802.29 15945936 20156420.57 12937877.71 9994208 7005899.429 22356262.86 41676548.57 14363006.86 18973684.57 11661658.29 11918798.75 11955726.86 18144657.14 21495398.86 10695597.71 13603350.97 13640630.97 5300115.85 11755208.38 6151873.146 21692754.29 49540667.43 15191861.72 12749652.57 10192069.71 25002221.71 35376146.29 7034414.857 8377696.571 12290408 13535721.14 15939057.14 7862669.714 13613733.71 13770696 16676978.29 24707158.86 10769644.57 12907437.71 12748177.14 9875117.714 22287211.43 12874598.86 17526534.86 11812836.57 10392985.14 8521013.143 17930678.86 15278552 17881357.24 38919447.74 13125735.9 11876420 19413835.43 10379435.43 5200726.286 9193352 9557124.571 10799024 13591133.71 10296656 13838380.57 12576494.86 12851381.71 21017318.86 15756346.29 14525578.29 13335585.14 8792038.857 13887129.14 18910584 20818073.14 15012420.57 10155341.72 7719289.654 9211430.278 10095898.28 4224268.857 11403388.56 13567706.29 9007558.867 26309186.29 28961627.43 15651905.89 30308616.47 8543625.111 10555155.44 18914027.43 11021223.99 9913767.986 11358238.85 6420502.276 8174961.737 6917840.015 11590446.84 21075833.14 14865462.86 19630297.14 7209502.878 14022723.43 11816541.72 12471334.13 8069950.871 11417932.58 17370483.42 11976334.85 9203372.01 10473522.29 17692496 7765690.286 12916864 14637507.43 12461822.85 12586716.57 11008137.85 12025998.47 12145398.04 Sarcosine 2125152.145 60890.28051 1180306.427 279612.7092 464119.8724 60150.36915 56622.60791 48663.01559 244485.6416 229655.1822 278651.1316 63421.73269 2316263.125 698026.0242 206854.9784 1539719.526 309866.3961 238224.3319 705679.3357 910202.2821 259688.967 52826.07008 229535.8933 799615.7701 356993.3295 219666.7334 1167500.943 379259.0747 499979.907 659925.9538 54345.61424 266052.3641 568618.1998 743725.157 363153.3812 435820.8311 NA NA NA NA NA NA NA NA NA NA NA NA 417396.8022 650940.0157 49444.36345 620349.1946 304853.3833 497309.3956 832658.4587 300176.2727 329954.1075 40728.07017 402522.6484 41539.47999 1920050.431 241958.2243 673677.1706 1130910.873 318672.4676 70773.59129 373243.2723 680408.5302 345010.6426 353434.2303 477712.5377 55652.82707 288218.9588 291385.9656 917133.4803 542183.3501 415929.0775 302228.3717 201728.7145 366896.3726 449806.6035 638436.8533 351064.2692 509929.6723 979765.4359 680789.2453 1842179.703 753233.6329 668533.0841 84186.1963 88313.81267 66087.4247 1159768.333 57455.34497 1216325.605 61360.45384 755641.4916 592523.7957 645452.8131 427269.0062 969111.9132 694932.2475 409270.2878 957809.3306 562202.8246 695517.7429 647747.8394 1029560.107 5662919.347 803790.4575 262394.8663 376027.4564 631003.0188 2420924.704 291863.3048 589827.1441 315008.7389 3166809.68 295351.3057 65196.54102 442759.7979 66844.29763 722419.3019 536763.6293 1228554.593 354997.7176 1067955.829 394304.8759 77060.63966 537673.4429 Serine 1351722.261 429548.3437 576525.7803 852265.2084 498516.2599 1152812.842 541080.2691 345836.9987 817638.9823 670836.0005 1642611.647 286593.0668 949417.3646 1085609.604 767564.7916 1114908.883 347437.0017 859314.5543 1125938.183 1548243.21 872859.1832 377296.3691 1046529.386 553593.6498 423076.609 652644.1843 831051.0465 1140471.819 2417723.911 891733.0078 1210876.447 688864.9662 686128.2617 1251490.177 5444503.928 1582999.711 NA NA NA NA NA NA NA NA NA NA NA NA 1139195.806 791319.8013 552734.0149 547326.575 692733.6288 279412.3329 650648.2769 502578.4997 217212.1267 445052.5422 326826.8793 303064.8461 640862.8973 328822.4171 1604303.566 1849628.694 889969.7866 519122.8185 688659.7153 468920.0572 286621.0547 392674.9904 488163.9788 368906.3728 514680.7515 637908.573 400647.6974 525602.9266 249178.8886 662283.2638 572559.8862 585318.7543 472275.6127 504492.7772 412115.9648 854998.5866 719109.2464 923731.0332 311915.2734 373852.7433 361585.6787 773073.3896 212357.2129 604643.605 766674.8724 278411.8594 381637.6142 3469570.884 723489.7056 6304501.538 517783.6421 477230.7496 773578.4164 376604.7613 294123.1413 357377.991 1058619.789 1439262.421 574581.3951 299168.7175 470893.7812 435107.7271 486633.3496 472018.3439 1102405.553 819701.8241 434699.8782 573987.6805 1339640.086 523874.2082 899750.5447 915477.8018 690870.5125 2570041.83 741289.2491 1755172.094 729242.1325 1169791.99 778492.8402 852711.2977 887505.3227 1487907.767 Threonine 10018911.49 3689747.343 4251984.95 3303899.967 1700796.576 2104169.667 1371632.04 1312786.98 2059650.037 3202474.428 3742754.922 2220331.111 2848035.331 2958158.313 2892656.402 2829413.345 4227770.613 1586250.686 2969611.114 3244398.679 3063605.844 4968410.374 1680509.487 1904642.475 1865972.239 3066936.085 3076844.108 1592459.97 1953652.299 3044041.91 2859384.933 1991835.915 2163172.73 3450866.129 8555627.871 1948427.708 NA NA NA NA NA NA NA NA NA NA NA NA 2283809.401 1214669.112 1536987.419 2093934.401 2737072.871 1468554.432 4191404.652 2031734.728 2158848.145 3502772.872 1792006.137 1199438.817 2336018.02 2575665.046 3976843.712 6654406.785 5875258.492 1848902.091 4133940.193 2308258.053 1262215.795 2120776.678 2721664.579 2142026.861 1962500.623 2521095.856 2715577.507 1833988.951 1303924.339 3492094.133 2737530.319 3615807.342 2682603.068 2137770.515 2106157.287 3049637.717 2124677.356 2712154.258 1029201.579 971149.3653 1193737.57 1887161.205 695047.3168 2046159.964 2375890.114 1080858.948 1098078.285 4089292.773 2259401.688 15331040.92 979746.6134 1840587.503 1659589.292 1244191.485 1094460.458 1124625.063 1129654.221 1350088.166 1398792.441 1122458.952 1377372.301 1620156.045 2210178.78 973046.7907 4393779.316 3786848.096 2191291.978 3770822.842 5823142.48 4438414.765 5662747.609 4257758.988 4808804.47 7430848.829 3339873.853 6200167.351 3244178.326 6264383.428 5739829.014 6434729.038 6907994.237 4688551.648 Tyrosine 6503114.073 2683529.622 1347440.883 2208584.393 2279020.336 1578937.876 690501.0007 780358.7646 2117062.818 1641752.755 3950172.626 1427091.282 2953302.618 1910963.042 2537220.792 2956381.216 2110784.83 1612089.409 3728415.989 3395041.625 3019635.636 4440620.66 3054060.585 1471533.317 1771940.399 2016957.823 2811836.734 1379849.673 1703933.958 1699494.616 980752.7625 1641785.79 639177.1155 3428600.218 4916254.368 2028092.242 NA NA NA NA NA NA NA NA NA NA NA NA 3249121.93 1950551.915 3225467.34 2727717.76 2680026.258 1363434.097 2713976.378 2401240.585 2341127.479 2480091.466 3029602.544 884594.969 4548472.224 2246799.255 4716510.172 4390600.73 2504661.015 2046140.903 3007341.196 1650110.18 1321427.961 2200651.843 833997.9635 2124736.572 2209673.475 3609953.283 1706033.891 2260893.133 1059960.763 2847812.5 5894910.379 3265553.278 2659307.285 1838142.39 1954688.866 4831138.184 3272550.079 3331464.655 854088.5577 1039254.103 1222135.639 2095359.159 888728.1324 2254239.182 2546780.17 1525722.442 2063605.954 2511858.687 3370198.521 7750855.423 1247071.005 1728248.904 2244150.605 713610.2811 1317228.241 1797203.936 1054033.485 1008081.277 1140454.195 1441601.375 1910958.812 2872262.055 2903136.204 639699.1096 5029571.802 1918414.109 2303892.81 2436084.823 2421896.589 1615693.385 2382136.466 2097668.05 2218886.559 4037666.301 697848.067 2444587.18 1456459.039 3194071.369 2367336.399 3484375.005 4636421.639 1883314.752 Valine 5872460.95 2087273.254 2068015.183 1689628.386 1869488.221 2649608.112 752748.1837 542723.6791 2334650.261 1582229.529 2852949.391 971035.5964 2378497.523 1803980.437 4288940.301 2665715.169 2070545.768 1305433.897 3701886.86 4198854.418 1655472.737 3091461.892 1462528.794 1054623.374 1006723.653 2468292.937 4381085.123 1145610.432 1636367.744 1412786.903 1661315.435 1525174.262 1207375.596 2478095.514 6254821.141 1720611.296 NA NA NA NA NA NA NA NA NA NA NA NA 2078620.66 2158694.266 1573411.303 1545634.744 2259936.932 854303.822 3977149.008 1666895.701 1594717.694 2203857.92 1225591.416 563930.3409 2580210.465 1390971.884 1914287.55 4315552.843 1921354.052 1300694.896 2327442.86 1026344.633 596284.2886 1058013.421 1627593.747 1679207.92 1990502.88 2587206.542 1804471.787 1514302.271 940177.8753 3333392.96 2581657.196 2870406.752 3179496.139 1521476.634 2200345.254 2902873.269 1633635.915 1811574.046 1006988.01 711642.8923 878238.3239 1162440.771 491790.1921 1171657.94 1743744.103 855432.2075 1569522.092 3975381.68 2047179.116 13092975.26 744453.8268 1121453.624 1483483.256 834705.5029 828370.2467 884794.8769 1085317.57 1343132.107 1411133.657 1779161.206 1707643.419 1176731.372 2568785.267 998280.4498 2000588.346 2892150.396 1878508.063 1927771.042 1882574.94 3117002.757 1874973.55 1423405.724 2796456.155 7268771.481 1406159.913 2976507.8 2060319.505 3155625.742 2297919.787 3615086.668 3802690.945 1896089.187 Vitamin B3 5722304 3986358.286 4026691.429 3431626 3981929.123 2990195.484 1429277.742 2379773.143 3342914.667 2651838.286 3872683.226 2714626.129 4648526 3764292 4636423.429 6441490.857 5080881.714 3106988.286 4848870.286 4704639.429 3707072 5826068 3658948.857 2815221.563 3298364.571 3938188.286 3045887.143 2950090.286 2163771.935 3240614.516 872010.5128 2211487.674 1694193.889 4123225.429 4917052.571 3633297.429 4885070.286 4301459.429 7035792 6407382.286 2550379.429 3814002.286 4918301.143 5684907.429 5450789.143 2966828.857 4325980.857 4146736.286 3931311.714 4993783.429 3071129.143 4977210.286 7143545.143 3703434.286 7226044 4517205.429 4715804.286 4240660.571 4466043.429 2352560.857 5375006.286 4508220.857 3494227.241 2572465.161 3737218.795 3473458.667 5774950.286 4003216 2511802.571 4301558.286 4152793.429 4109490 4942803.429 4416846.571 6349390.857 4893150.286 3965264.857 6390128.571 6032784 5537312 5942662.286 4033664.286 5354589.714 6734422.286 7205769.143 4428412 5198091.429 4063468.571 5162797.714 3479061.714 3288728.857 4571828.857 6258745.714 6188040.571 5425941.143 3168892.571 4158265.294 2770702.941 4585719.714 3565686 4315269.429 3818856.857 4960786.857 7100941.143 3546517.143 2563924.571 4400665.429 4610277.143 6206693.143 5004266.286 6614073.143 4034997.429 3505383.429 2635480 3289626.176 2143973.143 3850950.286 4397152 3986856.857 2422911.429 2961181.714 2130632 2204014.857 3155147.143 4123802.857 3709400.857 3994097.714 3510463.571 3109083.462 4006232 metabolite_name CHEBI KEGGNAME quantitated m/z KEGG ID Threonine CHEBI:16857 L-Threonine; 2-Amino-3-hydroxybutyric acid 120.066069 C00188 Tyrosine CHEBI:17895 L-Tyrosine; (S)-3-(p-Hydroxyphenyl)alanine; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; Tyrosine 182.081719 C00082 Lysine CHEBI:18019 L-Lysine; Lysine acid; 2,6-Diaminohexanoic acid 147.113353 C00449 Serine CHEBI:17115 L-Serine; L-2-Amino-3-hydroxypropionic acid; L-3-Hydroxy-alanine; Serine 106.050419 C00065 Choline CHEBI:15354 Choline; Bilineurine 104.107539 C00114 Glucosylglycerol CHEBI:82766 2-O-(alpha-D-Glucopyranosyl)glycerol; 2-O-alpha-D-Glucosylglycerol 255.107995 C11547 Methionine CHEBI:16811 L-Methionine; Methionine; L-2-Amino-4methylthiobutyric acid 150.058876 C00073 Aminobutyric Acid CHEBI:16865 4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; gamma-Aminobutyric acid; GABA 104.071154 C00334 Glutamic acid CHEBI:16015 L-Glutamate; L-Glutamic acid; L-Glutaminic acid; Glutamate 148.060984 C00025 Valine CHEBI:16414 L-Valine; 2-Amino-3-methylbutyric acid 118.086804 C00183 Glutamine CHEBI:18050 L-Glutamine; L-2-Aminoglutaramic acid 147.076968 C00064 Asparagine CHEBI:17196 L-Asparagine; 2-Aminosuccinamic acid 133.061318 C00152 Aspartic acid CHEBI:17053 L-Aspartate; L-Aspartic acid; 2-Aminosuccinic acid; L-Asp 134.045334 C00049 Cystathionine CHEBI:17482 L-Cystathionine 223.075255 C02291 Histidine CHEBI:15971 L-Histidine; (S)-alpha-Amino-1H-imidazole-4-propionic acid 156.077302 C00135 Vitamin B3 CHEBI:15940 Nicotinate; Nicotinic acid; Niacin; 3-Pyridinecarboxylic acid 124.039854 C00253 Arginine CHEBI:16467 L-Arginine; (S)-2-Amino-5-guanidinovaleric acid; L-Arg 175.119501 C00062 Creatine CHEBI:16919 Creatine; alpha-Methylguanidino acetic acid; Methylglycocyamine 132.077302 C00300 Proline CHEBI:17203 L-Proline; 2-Pyrrolidinecarboxylic acid 116.071154 C00148 Alanine CHEBI:16977 L-Alanine; L-2-Aminopropionic acid; L-alpha-Alanine 90.055504 C00041 Sarcosine CHEBI:15611 Sarcosine; N-Methylglycine 90.055504 C00213 Isoleucine-Leucine CHEBI:25017 L-Isoleucine; 2-Amino-3-methylvaleric acid; L-Leucine; 2-Amino-4-methylvaleric acid; (2S)-alpha-2-Amino-4-methylvaleric acid; (2S)-alpha-Leucine 132.102454 C00123