Metabolite_name RefMet_name KO_1.raw KO_2.raw KO_3.raw KO_4.raw KO_5.raw KO_6.raw KO_7.raw KO_8.raw WT_1.raw WT_2.raw WT_3.raw WT_4.raw WT_5.raw WT_6.raw WT_7.raw WT_8.raw Factors - Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type 12_13-Epoxy-9-hydroperoxy-10E-octadecenoate 10485.4773 6129.0221 34959.8525 8878.6904 4211.4486 2001.2864 7688.8011 8045.1351 21448.9757 44738.8803 7104.0817 9860.7616 14342.2086 2259.4631 6760.0135 3147.6561 1_3-Diphosphoglycerate /2_3-Diphosphoglycerate /(1_3BPG or2_3BPG) 22952.6171 96355.4903 40177.1533 31718.4117 53552.7499 53577.6655 32353.8953 28616.0092 62597.1620 87912.1740 43193.2821 59696.1068 50237.6823 33140.7460 47751.4957 30450.7064 1-Piperideine-6-carboxylate/1-piperideine-2-carboxylate 12070.6017 12803.6256 13335.4119 15561.1812 12103.0222 14716.4944 17470.8726 16671.3270 14235.5956 17259.6779 14268.5060 16607.3917 16960.1652 13999.9937 19758.8774 18589.9584 2-Amino-3-oxobutanoic acid 116172.0794 137274.4668 123772.2682 108060.8359 119964.6180 173288.6852 166327.5825 153621.4658 139468.2446 185840.5965 143983.7709 198548.1201 150885.5246 133833.6958 141088.2535 137234.1910 2-Aminoadipate alpha-Aminoadipic acid 74399.3483 41887.1112 57515.3450 178545.3962 122950.6628 49259.7651 48283.5177 182641.2892 288128.8937 634697.8337 6181614.3940 457087.7374 154912.2705 66830.2644 336148.0962 108654.0741 2-Aminomuconate 2-Aminomuconic acid 13998.3451 24825.0217 20484.3655 9206.6374 18843.0902 27389.3436 22883.6181 24987.0056 4275.0512 8509.7661 8300.5523 8779.0078 13828.0038 30062.8452 13158.9337 17854.3145 [2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine Cysteine 18556.7784 21307.6467 15444.0782 19186.6188 24627.8793 20517.0062 15958.8718 18485.5575 30733.0885 26952.5928 18565.9012 31861.4214 18727.9291 15912.9353 26612.6877 20042.4105 2-Hydroxy-4-methylpentanoate D-Leucic acid 172591.0263 154073.3129 130298.4614 127417.9553 152421.8735 153666.5186 161739.5708 145252.8467 147921.1667 165308.4768 135172.2467 138230.5771 147074.8066 134291.9565 160870.1469 142167.5356 2-Keto-3-deoxy-glycero-galactononic acid 9-phosphate 429358.4792 556800.1711 512614.5712 315114.9144 391563.7376 427900.9997 468262.9214 421172.1750 623598.8765 584978.5234 499106.0274 236656.0459 435482.8594 537102.8892 519294.1551 162231.1030 2-Methylglutaconic acid 2-Methylglutaconic acid 832409.9302 1410527.3100 1244701.8740 981290.6718 1247376.4260 1481124.7140 1281028.6840 1464334.9130 976292.7684 1308121.9960 950945.1222 1497386.4700 897809.3453 1321511.4140 1346982.1190 1343523.9910 2-Oxoadipate Oxoadipic acid 22870.5914 30121.7969 30520.7821 32750.2908 38057.3501 34595.8717 42682.8284 38891.7147 25235.5119 26625.7140 70896.3633 33605.4336 33138.5613 35323.8843 42027.0462 39977.5229 2-Oxoglutaramate 2-Keto-glutaramic acid 39061.2901 52230.8179 37383.0390 35403.7988 44743.3268 48238.8570 49427.3109 44342.8324 48618.9386 60009.9359 38545.5670 57874.3723 39977.2953 42052.7648 52394.2580 40109.5243 2-Oxoglutarate 2-Oxoglutaric acid 221829.5935 268308.4169 271714.7671 370819.7717 240916.4519 289278.9328 140126.5171 272329.8029 192998.5054 260144.4856 185982.6164 226608.3645 232389.1541 263594.6797 195405.4119 173336.7246 3-Dehydro-L-gulonate/D-glucuronate/L-iduronate 815334.1190 696446.8809 846298.5935 855726.2794 1148121.0990 957028.1238 1112838.5170 929817.1043 639403.5901 1130173.1170 743940.8828 1010223.3890 1001759.3500 832823.1815 1166276.0860 480505.3858 3-Deoxy-glycero-galacto-2-nonulosonic acid 107867.5860 112430.5698 108920.7169 99912.3843 94926.7615 107048.3312 115434.6667 103441.5342 95646.1661 99247.5252 104757.3178 100300.1142 103196.1746 103470.6989 97640.5955 97767.1365 3-Hydroxyanthranilate 3-Hydroxyanthranilic acid 24439.3818 28366.9044 24605.3166 27931.1859 28356.2514 21965.3959 28435.6293 23465.3466 21033.9464 37757.6725 31144.8234 30129.8810 30175.9482 25597.7500 30580.4610 29045.2946 3-Hydroxypropionate/Glyceraldehyde/Glycerone 3664355.9630 5832114.0720 5202956.0250 4202383.8820 5330734.5950 5835301.5410 5177488.5170 5582813.3090 4218330.0750 6045849.4090 4026821.6980 6497116.5800 3797624.4130 5051064.2680 5269453.2430 4838172.5500 3-Keto-galactose/Gulonolactone 130332.3781 164782.2032 145605.8243 128802.2024 232357.4541 162512.6642 189884.4208 160244.2074 127777.8455 237524.4544 156473.2040 264995.5725 163625.8103 125063.1048 226412.4454 154221.6665 3-Methyl-2-oxobutanoate Ketoisovaleric acid 271751.6849 272644.5100 289317.5895 282901.8409 295376.7628 296492.6105 370238.2146 308144.2137 278921.0996 283197.7762 302662.6580 281829.2717 283048.8926 301479.7204 311754.2313 297595.2254 3-Methyl-2-oxopentanoate/4-Methyl-2-oxopentanoate(ketoleucine) 360437.7993 408236.6793 401156.7411 372898.4393 399593.6199 388097.1239 388530.2109 380496.8313 421999.0750 429617.8454 409832.1913 383964.8410 388550.9566 409058.6918 427730.9299 363246.1639 3-(Methylthio)propionate 3-Methyl-thiopropionic acid 1012282.3060 930228.4048 900395.9923 863496.6787 835789.3178 821529.4443 834306.5851 852871.4167 979354.2795 903912.9132 929523.9220 849874.4205 873636.4147 860223.3216 826286.4683 886416.4806 3-Oxo-6(R)-hydroxy-tetradec-8-cis-enoate/3-oxo-6(S)-hydroxy-tetradec-8Z-enoate 40039.2358 30402.7586 31614.9204 31809.3538 24915.6832 21008.1305 17414.7755 31080.4375 51436.8890 47296.2588 35450.9445 38244.0227 20388.5114 18137.2405 40725.6126 15757.2892 3-Oxo-8(R)-hydroxy-hexadeca-6E10Z-dienoate/3-oxo-8(S)-hydroxy-hexadeca-6E10Z-dienoate 14552.4463 11415.7936 17927.1780 11761.3491 10135.0058 11557.1371 9866.8267 15602.4935 14016.9345 18968.9521 12550.8960 17397.9828 7890.8557 9703.8750 18201.3508 8413.4913 3-Oxopropanoate Malonic semialdehyde 443088.7614 564960.5320 558020.5443 480421.8296 578641.4733 577609.6760 496936.1667 587094.9803 498923.6482 613540.9304 508939.8257 668356.7627 464206.8632 558643.9065 560240.4229 476843.6931 3-Sulfino-L-alanine 3-Sulfino-alanine 324940.4894 261933.5612 279877.3509 309606.8826 424879.2461 193837.2094 331875.4665 323337.5806 357321.8880 583210.9791 444789.6300 648821.0686 378194.9621 253710.1769 417446.6734 360682.5208 3-Sulfonatolactate 72691.5476 142194.3835 184113.2953 57707.4411 102882.3559 290193.4443 290655.4663 190785.1606 129918.2085 311526.2646 112447.9879 279337.3745 80560.2879 216922.7343 188158.9550 130994.6780 4-Hydroperoxy-2-nonenal 300893.6379 296415.8041 530081.8424 242077.5539 257959.5955 236173.9764 494194.5858 246360.3106 457760.3062 429817.9595 439075.7704 285594.1899 326073.1932 273593.9228 302382.3310 266152.1545 4-Hydroxy-2-nonenal/3_4-epoxynonanal 50382.5139 80723.6139 67452.1435 55174.6151 74638.7749 67404.2407 91179.8405 68615.6362 96846.6122 90045.6370 85070.9616 85391.6150 79641.7881 65504.8284 86650.1095 57912.2485 (4-Hydroxy-3-methoxyphenyl)acetaldehyde 31397.3212 24991.4790 21778.3541 22198.3544 21752.2816 17461.4090 26841.7881 26603.5651 20530.4357 28773.3443 20651.5799 23971.9628 20394.8338 21930.7132 25295.9347 20734.5798 4-Hydroxybenzoate/Gentisate aldehyde 115575.3870 120842.5064 101277.1262 133431.9355 160000.6600 114582.8627 133544.7248 122553.9221 117158.3740 174660.1107 144179.9279 164980.0803 116521.5409 157168.5298 191453.1918 106931.3936 4-Hydroxyglutamate semialdehyde 4096863.3090 2144023.4990 5598139.3010 7979920.9520 6344800.5300 3701879.6110 2788016.9350 9377534.8490 6434609.7710 15161803.2400 7394964.3750 14476290.9100 6620520.7950 2736303.5740 6357523.3140 2969347.1790 4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3_4-Dihydroxyphenylacetaldehyde 374800.3775 339419.5959 296985.7467 282421.0173 275791.9688 246800.8829 246324.4102 238779.4931 423324.5167 371795.8201 324001.4312 297058.9826 272856.9965 271650.9958 259469.3417 237238.3174 4-Nitrophenolate 80832.7000 91574.8765 81387.9594 84252.5167 87735.3000 71514.0964 76817.6659 79804.6521 77231.6712 90414.8127 87964.0140 80484.6245 80935.5724 83829.1795 86929.6476 88398.8211 4-Oxo-2-nonenal 9975.4558 20547.9588 13543.7265 16332.2827 14683.2804 15163.8043 23230.8754 18287.1217 24235.9163 19010.0525 22065.2392 15402.1170 16262.1129 14281.9307 27345.9421 17624.1229 4-Pyridoxate 4-Pyridoxic acid 7969.6092 25910.0498 10683.5106 12839.4189 13161.6063 15207.9429 12919.7903 15472.9333 10317.9736 11946.9322 12615.8695 22473.0766 11789.6452 11137.2975 13788.8541 15430.0714 5_6-Dihydrouracil/3-Cyanoalanine 63289.9394 51813.4043 60389.7390 61083.1746 68803.5462 55045.6001 60306.4650 66519.4435 67075.7772 92270.7309 66035.0770 77554.6295 64528.3486 60521.9895 70009.5955 59842.2341 5-Amino-1-(5-Phospho-ribosyl)imidazole-4-carboxamide 60998.3947 75235.2030 77084.6635 77622.7226 104801.3742 77112.4891 50569.4106 86554.0639 55717.9863 97124.8069 96564.5090 104344.0789 73562.4519 55966.8300 77880.8439 63993.7919 5-Methoxyindoleacetate 5-Methoxyindoleacetic acid 30376.5340 47376.6545 11260.2221 17101.9372 27821.3784 3876.1926 23398.8462 35793.9409 22625.4267 31535.5461 23936.5060 39820.7812 25943.4387 15090.1776 33328.4818 10935.8906 5-Oxoproline/1-Pyrroline-3-hydroxy-5-carboxylate 2378604.7500 1819321.9570 2814356.0480 2670372.8840 2775022.7520 2350415.4880 2090694.5460 3072520.6460 3695562.7600 4555245.0570 3418492.8410 4488040.1360 2572111.2030 1816100.7580 2994865.1140 1688656.4100 6-Hydroxy-tetradeca-trienoate/6-Hydroxy-tetradeca-trienoate 10834.4249 17150.9637 12596.4371 14012.2519 21825.9055 13638.2619 14494.4561 14182.8566 22596.3697 21450.8856 14793.8223 18748.0838 12058.8728 14913.9240 14595.2612 10132.3836 6-Phosphogluconic acid 6-Phosphogluconic acid 52077.3610 96084.8963 93055.5436 60388.3212 146394.5785 88138.7908 136729.2295 114466.1312 92733.8748 187299.8534 95723.2999 201664.9338 112053.2103 106781.8082 117026.1514 89056.5149 7_9-Dihydro-1H-purine-2_6_8_8(3H)-trione 106726.5026 153369.3898 149636.5614 144068.3966 349585.9040 255216.8179 229665.1851 434511.8496 87292.1295 254606.8496 146480.7155 314721.9218 98775.8696 137526.1642 152248.4184 242763.8287 8_11_14-Eicosatrienoic acid (DGLA) Dihomo-gamma-linolenic acid 558482.0493 324971.5691 592115.6203 254991.7507 475060.0759 280014.1040 328030.2541 341122.6450 448398.1543 464780.1343 575378.0454 595106.9424 363650.5975 375433.8537 289674.2851 250008.6420 9(10)-EpOME/12(13)-EpOME 236563.2575 159093.6048 208587.1775 69362.5653 146338.8658 66935.8999 149950.7808 160482.8438 383533.5039 205554.5771 353397.2975 264374.3553 118481.2484 210111.9201 156834.7430 103656.5437 9_10-Hydroxyoctadec-12(Z)-enoate/12_13-hydroxyoctadec-9(Z)-enoate 87485.4566 75907.2713 233642.7986 52886.0389 87074.4667 62104.3842 1558926.7300 94703.0660 366241.6244 127534.0338 793709.2793 102693.6023 53003.9569 58158.1266 56333.4866 37844.7597 Acetoacetate Acetoacetic acid 488860.6348 638215.2957 699316.0521 657448.7467 734678.9985 773393.7560 873668.0434 875087.2957 592559.8985 511791.9814 633030.3502 680536.3765 684436.2303 796595.7737 862100.9723 926481.0637 Adipic acid Adipic acid 84750.4517 126328.1424 133742.5111 117358.0707 152383.1858 94336.4475 101808.5702 120696.2910 105078.0453 150084.2830 168737.7542 163020.6880 127878.6903 122501.7641 151264.6316 129762.9281 ADP-mannose/GDP-fucose/ADP-glucoside 14097.1082 11302.0047 12169.5381 9521.5392 18108.1374 15996.1997 14256.4199 16740.9448 12771.7458 19252.8478 13463.7932 13086.6130 13027.4099 13935.5739 21729.0252 9333.6312 ADP-ribose ADP-ribose 780945.1660 907857.3005 1215745.5410 990052.1399 1501133.9740 1074092.6800 1227149.8680 1324555.2880 846055.4321 1363451.6940 1108841.1620 1136431.2680 1136908.0270 1287190.0870 1380940.1620 1035278.5230 Adrenochrome/N-benzoylglycinate 253791.9845 365270.6459 91917.8157 151303.4160 209081.6722 36271.5195 298555.8245 312855.3537 179964.8230 182520.8415 158056.2719 283852.4563 189126.2321 44183.9135 190727.9337 36730.4163 AMP AMP 7023216.5390 5973235.3490 8278833.9610 6028485.4600 10203402.4000 8952346.7610 10724846.8600 9326144.2490 7109591.6150 10979087.4800 7800120.0190 9038588.6490 8322992.5890 9220577.5520 10130653.0200 6071205.8600 Arabinitol/Xylitol/Ribitol 101333.0268 129434.8308 118430.8061 116879.1477 134632.4702 137299.3776 100459.5253 123697.8063 128651.7819 222787.8110 117337.0443 249084.4771 111943.4479 128204.0653 155846.8614 123346.9871 Arachidonic acid Arachidonic acid 3062402.1100 1929206.3370 2189370.2670 1515932.2050 2801928.1270 1507960.6770 1784313.2990 2149731.1110 3702407.4720 3484317.3680 3143169.3390 4463739.0060 2375046.4280 2968941.9250 2347989.8020 1674324.1040 Arginine Arginine 19580.3640 16988.9771 11519.8260 10395.7985 12624.7900 8943.3145 9393.5951 7872.7135 30870.3615 29749.0167 17567.5291 17020.7916 14474.5747 12047.9565 15869.0156 12867.5094 Ascorbate Vitamin C 9372474.5840 5287969.2340 11623100.5400 8338984.7280 7159221.2510 12036773.6900 14631150.6300 12926376.2900 7451594.6230 7382738.7830 11421588.6700 7688126.2690 11459445.8300 10359355.9500 6234573.8690 5510441.2730 Aspartate Aspartic acid 1836118.0150 864293.9789 2108825.5570 2247241.3960 4071536.1750 1594541.4290 1638463.0660 2814482.7390 3416183.4590 4809743.3480 4306762.3850 3827494.2250 2587288.8690 1933486.5690 3243261.8670 1628572.4570 Azelaic acid Azelaic acid 123272.3695 137563.7584 329485.4845 99504.1154 128465.9530 103705.5457 352460.1654 131903.9601 234800.6298 444352.3775 244311.1383 245900.5784 390848.8199 117077.1768 224237.9889 101695.1437 Beta-hydroxy-beta-methylbutyrate 468306.8243 566274.4267 407827.1976 426283.6556 486824.0011 360464.2869 522186.9176 514195.5531 583587.0319 763676.2263 553076.3569 576720.7413 621950.1332 433847.2044 612212.9933 503441.9626 C12H22O11(6) 779890.5320 975295.9645 485612.9661 366785.8618 460151.5219 422005.0991 372367.7777 395500.9903 918150.8185 596222.9270 616165.5060 956626.6383 494924.2447 622631.6150 593914.4892 441875.7510 C14H24O3(4) 73754.8804 39284.1177 57578.1888 39101.6371 58957.8346 48559.4101 37992.6127 40989.1663 84265.6426 69579.4978 80869.6558 58571.3647 40552.4264 47830.5370 73943.6387 25527.6244 C16H26O3(4) 19672.9862 11085.0677 10706.0282 14084.9217 15117.9852 12478.1153 10267.5565 14962.9404 27243.1049 16305.3754 19618.2693 16559.5898 14230.8540 13321.2360 18615.4767 7831.2415 C20H30O2(4) 1303558.5500 944756.6633 1016898.3820 401233.8380 969741.3073 950903.8525 1166549.9340 815194.6465 1311317.9520 1082033.2610 1101540.0350 1626119.3590 689987.9149 884683.6244 807225.3946 570731.5322 C20H30O3(6) 38956.4753 31263.1211 22146.9560 23409.9287 43043.8993 14884.9703 17585.7136 20682.4623 34539.6210 65831.8489 33865.8126 77504.1249 63050.5584 20293.9797 37792.1023 14264.3903 C20H30O4(18) 98040.6892 92264.7370 68662.7858 69021.9654 92023.6314 28570.8972 40037.5630 63298.8829 36922.0120 113972.2254 90330.1309 178176.6651 154871.8954 40517.1177 96833.8045 44719.4583 C20H30O5(11) 67804.0228 70556.3584 65701.8991 48383.8095 79875.7719 31844.3013 40819.2404 67361.5199 29326.9467 93383.4147 61343.9360 99846.1820 98977.2359 47161.4186 71013.1456 41094.3120 C20H32O3(12) 22889.0393 23287.4338 16925.9836 9600.1014 18801.8662 7723.5018 12388.4510 13860.7828 41216.2181 23442.6338 23049.3498 32147.0648 14829.2410 33813.8169 15850.6653 8842.9551 C20H32O4(21) 61653.4399 56647.2890 59181.4108 44270.2210 71392.6800 33763.0447 42383.4883 61503.6526 42787.1934 63143.2084 59254.9480 101390.6398 58955.2521 46953.3728 51022.9141 33739.0526 C20H32O5(15) 312173.2467 184578.1915 274612.9982 144923.3208 186151.3280 151288.7893 348346.7023 179322.5409 199081.5559 140445.1169 243508.9901 201135.1642 144345.9145 162100.9589 142828.3091 164386.2248 C20H34O4(4) 152947.6575 103163.2085 122398.9178 97161.7033 106186.5900 96591.5630 169467.5325 97426.7655 111310.4837 76568.6750 124622.0463 93771.9186 78420.8415 97807.0878 83188.3424 98773.1812 C27H46O4(3) 2433.1016 4301.4380 29975.5747 4548.1130 12626.9326 1000 15094.0768 21985.6020 5353.9522 13426.8759 22832.1298 40439.0941 6534.8399 8295.7401 7642.0887 1517.0547 C3H4O2(3) 1411600.0320 2155321.2040 1926658.9170 1647808.4530 1968627.4380 2096599.0410 1735021.9240 2096420.3540 1853471.4390 2343213.2050 1571209.7360 2432653.4410 1420401.2340 1839979.9080 1930868.5290 1735945.8830 C3H6O2(4) 506098.4843 513651.0190 609333.3037 644243.9909 770401.0167 867539.6248 800078.9550 1127195.7550 466471.8628 700871.6281 612775.2077 884076.3870 626324.7297 565935.0852 625538.2246 812195.5435 C4H6O3(3) 1935787.7020 2838425.3540 2631312.7330 2336589.0170 2749941.9790 3241444.7810 2780865.2560 3028145.6760 2350235.8250 2721778.6890 2155529.9070 3215101.0350 2258401.8600 2970859.2290 2898706.5150 2848185.1380 C4H8O3(3) 2591126.9280 2880118.1780 3078774.1370 3182066.8070 3577977.3410 2836488.9680 2888152.9480 4857679.7140 3475169.6040 6247253.5220 3969659.7060 5301808.5220 3074781.8820 2553496.2920 4382511.2380 2946069.1300 C5H10O5(6) 432878.4486 541374.8175 468100.9185 413673.0069 453425.3082 517757.7197 486390.3575 488264.4519 563551.7591 686227.1309 457479.3523 688613.8156 426060.1542 457846.7963 558082.4087 492284.8643 C5H11O8P(5) 737136.2182 1070641.6040 765558.1922 656524.3321 860230.6895 784622.8364 680919.2458 798729.6531 920520.6944 1164247.8150 831277.1864 1070189.1860 843169.9913 759167.3818 936554.9736 562725.7344 C5H9NO3(5) 160926.5385 124186.3507 204726.3138 247614.7082 283488.6694 127682.1469 289484.8111 245883.4019 355050.4267 453132.2553 351516.9431 392233.7994 255806.3697 157816.8247 347063.9065 252318.4413 C6H12O6(5) 639224.5667 739869.2893 665533.9935 569190.7189 831775.4630 727838.7201 789995.3598 750582.5380 913148.7212 1033234.5900 701147.4050 1024860.1530 776268.8691 1095127.4140 949394.1035 604753.0298 C8H16NO9P(4) 59404.2620 49455.4070 64390.2649 47715.6874 68805.1488 51881.2204 61637.3663 80818.2367 76672.9261 101762.4666 79280.3761 88374.1790 66171.4768 58621.1048 90881.5986 43581.1360 Caprate Capric acid 809234.8511 825185.1159 821220.4282 800139.7987 780129.4038 787591.9781 786854.8439 778614.3929 859980.4228 844327.9535 832233.4876 804612.7199 823240.6382 786045.7375 785636.2876 752309.5698 Cholesterol sulfate Cholesterol sulfate 856451.2508 239800.6057 341978.2609 418067.2304 468993.2689 2790865.3490 471604.6396 586515.7266 1284148.3790 904951.9287 754496.3017 936579.0572 431886.4868 462249.6984 658578.5774 401961.0167 Cis-aconitate/dehydroascorbate 687063.3831 623564.5300 814776.9569 533387.2015 833427.1982 888301.3091 739834.6284 707302.0692 875477.9997 1179946.0500 765954.5084 912908.9620 819765.1760 804685.7369 748386.7947 600434.0203 Citrate/isocitrate/Diketogulonic acid 8187595.6930 8000744.9610 10206421.5100 6803000.0840 13623942.9400 25427585.1200 12135677.2000 10660117.2500 10920025.7800 19978121.5100 10667992.7100 18944158.8100 13567178.9600 19761515.1000 17654976.8900 8316820.6050 Clupanodonic acid/docosa-4_7_10_13_16-pentaenoic acid 566806.7752 374932.6958 510482.9719 190251.6448 439733.7967 503536.4216 592220.7400 363710.5886 743892.5446 470267.8664 616809.7419 631846.8863 417650.6062 403696.0985 369612.6318 242290.1813 CMP CMP 133672.8011 97939.1139 158796.7924 97123.3381 164638.1491 177279.6598 198954.6108 138502.8862 123926.0851 172573.1620 153087.1807 143132.5921 138690.3208 144546.6048 156612.1835 78714.4379 Cystathionine Cystathionine 33269.1980 12731.8450 22079.9492 57503.0445 59053.5459 13301.9461 30418.1515 47360.4796 69595.2349 104321.5525 88600.5442 65364.5109 72665.2899 20488.1143 118805.2381 46702.9373 Cysteate Cysteic acid 3247.6197 5070.4736 3002.7206 5537.3702 2713.1696 6673.9956 5724.8070 5509.3038 11771.6110 16542.7795 8989.0542 11179.3075 7837.4924 4908.0777 9383.5394 11264.1081 Cytidine Cytidine 749515.6036 527871.6263 552381.8895 697860.1530 1083278.6320 976840.7149 791021.0313 1127795.7090 1109703.9290 1518936.8090 678063.5663 1001583.3720 1041953.9880 1041227.1500 1377028.2290 646458.9110 Deoxycholate/chenodeoxycholate 19717.3096 9823.3203 18767.1270 5634.2206 1561.6246 1000 12700.5557 2458.9309 9304.6751 25335.7595 5588.5377 25878.8289 9928.4091 4031.7524 2254.0868 1868.3581 Deoxyuridine Deoxyuridine 13268.6019 15542.6913 15612.0395 14408.8454 24860.8246 12507.3700 17183.6954 20352.2067 11350.4495 19039.0144 15567.2304 20367.9753 15855.8135 16507.6218 19988.1305 18551.0685 Dihydroxyacetone phosphate Dihydroxyacetone phosphate 74838.2398 170512.1661 53329.8622 86852.6589 63774.8186 81805.1179 48844.2766 52866.6280 140811.2627 86782.2943 63068.9800 94391.8896 80825.5292 56208.7871 86361.6972 50921.1381 Dihydroxy-tetradec-enoate/Dihydroxy-tetradec-enoate 52181.9713 26604.3037 45428.1886 34415.4961 30116.8849 24097.8633 17658.9830 37508.3702 57777.7182 44162.3434 48383.3337 42368.9878 25226.5675 25850.6859 41343.5678 16451.2673 Diphosphate Pyrophosphate 263174.4757 286271.1570 366648.2918 307762.0888 693934.1578 604156.6601 667091.1477 558149.3345 322171.3093 872755.0493 459772.4143 677964.8393 501774.3955 478231.2484 879990.8378 272166.6141 Docosahexaenoate(DHA) DHA 3815058.2480 2629301.7940 3023002.0140 1763305.5410 3265501.3540 2640565.6740 3290799.4270 2539993.7760 5693745.8020 3919781.8660 4011579.1660 4307501.5710 2625296.0410 2334898.9160 2856201.3040 1639664.2690 Dodecanedioic acid Dodecanedioic acid 35566.9849 29280.9258 30846.0481 21303.1207 26490.4497 16606.0958 28126.8129 29314.5753 35444.0424 35797.9124 33375.4682 27585.6490 22266.8086 18640.2100 30051.8448 16228.8512 Eicosenoic acid Eicosenoic acid 230614.4586 132802.5440 211814.0172 99448.8395 165201.1775 164170.0707 151469.7821 153070.2674 152991.2634 149337.1472 240097.8079 244984.1912 149783.7340 128889.0465 117868.4049 101799.1906 Erythrose 4-phosphate Erythrose 4-phosphate 47094.8072 51887.5863 41299.3623 37514.2049 44956.7583 37747.2176 28837.2800 34440.1024 59724.0596 80703.9512 43497.9572 61548.1344 40996.3501 35470.0295 54803.3664 19012.3902 Erythrulose Erythrulose 1425318.1180 2287087.0940 2045611.9780 1606580.7250 1996856.0070 2266150.5450 1892071.4420 2138379.6990 1685206.2890 2338931.5150 1502816.4460 2539219.3050 1403917.8960 1985029.7990 2002552.7210 1844786.2920 Ethamp[c] 284842.7875 277589.4299 418644.6143 504187.8217 520375.6572 389432.3467 467369.9730 552393.5017 458637.5475 883148.0438 569482.7618 576948.9954 529482.1537 471155.3969 614855.0619 360142.2550 Fructose 1_6-bisphosphate Fructose 1,6-bisphosphate 67194.5140 207523.1875 65966.8048 68788.2867 61819.7501 75114.6720 53193.8772 43118.7511 153205.8953 101893.8373 73646.9973 105759.9512 74538.0752 52364.3144 67638.3080 46041.7548 Fructoseglycine 49277.2829 62354.9926 55738.0212 37161.6179 61059.8916 32312.7581 63939.6259 35735.2427 43594.5123 142117.2017 55391.1283 179171.6165 53303.2474 32982.8277 28720.4296 19834.5874 Fructoselysine 3-phosphate 42257.6398 41248.0393 57921.8521 46422.9282 49807.6667 64052.6917 60785.2901 51088.7789 54786.1120 79397.2056 46730.5586 55327.8726 40153.9705 41395.1902 58628.0980 26266.9032 Fructosyllysine Fructosyllysine 13226.7979 23642.9098 15945.5575 19268.1858 25957.2254 11537.4814 20225.0566 21440.6992 28948.1984 68582.1867 28513.0644 64187.5823 30297.6266 14671.7270 25388.7470 7667.7748 Fucose 1-phosphate Fucose 1-phosphate 10905.9561 13576.7378 12373.9760 11080.0668 10648.0718 18373.9936 21538.2777 12982.6133 11494.9721 16321.7396 9380.8134 11836.1830 12951.7275 15001.3973 16724.1594 7865.4378 Fucose/Fuculose 278267.3361 391547.3185 315937.8575 280527.6223 350424.8804 349750.8883 434298.9248 350165.4458 292760.9999 384907.5067 265837.4901 409001.2846 374009.9454 324897.8749 328724.8030 282269.5055 Fumarate Fumaric acid 3180220.6020 3065294.3570 3781217.6130 4039615.4830 5387392.1670 3471912.2740 3053483.0620 4842329.8520 5322741.0050 6626565.3700 4502061.0720 5977017.1530 3506446.9160 2978463.3180 4771700.9150 2908116.9880 G6P/F6P Glucose 6-phosphate 1549263.5680 1392261.3280 1396970.6250 986127.5573 1848177.2720 1285731.0330 1060189.2930 1408262.0660 1818892.1460 3597473.3460 1358645.6110 2964407.8890 1669489.7030 1622179.7810 2001616.1250 967037.6689 Galactosylglycerol Galactosylglycerol 362860.3474 385046.2668 482082.7734 420795.2360 705019.5543 575036.4473 835889.5191 618228.1870 905280.2358 768824.3051 454527.7495 1188580.6390 579096.3014 492491.7367 821340.1947 427269.2068 Gama-glutamyl-aminobutyrate 7696.5094 5653.3188 5454.7729 9592.3359 11604.8744 4842.4501 12023.4123 10372.7468 12305.1529 23534.9201 14480.8838 23958.5249 15300.6740 7307.9967 13926.1810 7160.1601 Gamma-Glutamyl-cysteine gamma-Glutamylcysteine 47226.7130 25442.8567 62568.0201 76019.9052 76631.8523 36467.4518 36787.8671 108131.1482 50312.6832 142849.4208 88170.2553 170452.5032 68284.3585 40744.3012 62588.7838 26183.4015 GDP-mannose GDP-mannose 28936.2909 34011.3967 40743.1521 29721.9483 43885.7807 42770.5715 38717.5272 34308.2228 26224.0635 50627.3616 27195.4394 38239.4716 31612.3857 34642.4008 41499.6180 24008.2555 Glucaric acid Glucaric acid 50851.5929 66277.3774 78313.9497 52410.3017 66424.4554 80086.5735 81422.1598 68819.7484 43506.2762 53896.2033 63026.4248 55923.2936 49504.3696 75479.4554 54321.2104 53042.1916 Gluconate Gluconic acid 7398623.5760 10105939.5600 9801371.0720 9392002.9540 24295314.6900 13878069.5000 13801956.8700 12798060.1600 9988633.0690 21970327.4600 10961114.6300 26874792.8400 10539610.4500 8421504.4270 20349482.1900 11479755.6200 Glucosamine 6-phosphate Glucosamine 6-phosphate 21103.6345 22836.4097 35612.8895 34595.1733 46334.8066 35033.5189 35368.4362 40764.4693 24666.5092 83023.2948 269933.3385 69825.6739 24738.3847 28753.0723 40296.9730 20236.5644 Glucose Glucose 7464571.2200 12376259.8500 10890272.2500 8572089.3040 10822369.2500 12278103.4200 10215839.3800 11587498.4900 9528500.1350 13358864.8000 8307233.8580 13908316.6100 7666241.9520 10977394.1300 11225046.6500 9945498.3390 Glucuronate 1-phosphate 41887.8440 35632.9322 49345.8043 41702.2885 29487.4299 33507.9182 37618.3909 31845.9197 68998.7801 69199.0459 39261.6422 38556.5750 36620.3495 35797.7657 45088.4742 19704.7729 Glucurono-6_3-lactone 9520589.8210 5412036.4510 11865911.4700 8425895.6310 4572382.9240 10722349.8100 10629434.0600 9972531.7490 3464781.2640 5040116.6600 11576272.6900 5338367.6140 11392322.7500 10527163 4045528.1510 5574401.0270 Glutamate Glutamic acid 4096863.3090 2144023.4990 5598139.3010 7979920.9520 6344800.5300 3701879.6110 2788016.9350 9377534.8490 6434609.7710 15161803.2400 7394964.3750 14476290.9100 6620520.7950 2736303.5740 6357523.3140 2969347.1790 Glycerate Glyceric acid 80316.6886 214102.3767 2685789.3580 2111253.6420 2360408.5050 156860.1597 115895.1938 1775659.9980 99709.4226 3551546.1800 2708269.6950 304336.5583 2706072.0830 2782131.0450 2578740.7220 2578720.8670 Glycerate 3-phosphate/Glycerate 2-phosphate 364104.9509 1502870.9920 437196.0575 768502.3141 1093755.5950 811993.4195 673599.2348 667497.9486 310134.7076 2205707.7360 690386.3452 2932162.3080 1085794.0990 691510.4683 1316672.2180 927698.5651 Glycerol 3-phosphate sn-Glycero-3-phosphate 1627460.9810 2002190.2400 2992529.2660 1724970.6670 714443.1414 3605983.2240 3775087.7180 4402827.0230 219645.3878 735437.3524 1456343.6900 779810.1732 803989.2287 847274.7864 1218090.3230 1975283.8660 Glycine Glycine 864990.8279 791427.8770 980198.2824 859514.5452 1132248.5680 1027327.3150 1175935.1210 1281379.3510 1103778.2800 1725980.6690 1012643.3650 1390531.4110 1204927.4120 1121622.1960 1443942.8070 1070218.5010 Glycolate Glycolic acid 82331.1733 99233.6721 95824.4654 100289.0073 128710.8703 135484.0017 141279.3519 128374.1008 95295.7993 107709.5339 98738.7244 115782.3837 104127.9983 105951.1735 141561.3131 115062.8052 Glyoxylate Glyoxylic acid 200573.3961 243732.8034 228161.3879 212391.6424 232714.1964 209972.2967 201304.3262 226034.5446 232145.5765 281591.3693 224454.3388 254408.3187 209573.8856 212075.3199 220628.1912 207170.5515 Guanosine Guanosine 29220.6691 36735.7214 29578.3430 26730.4050 35195.8849 25060.6779 33002.7492 33389.8671 38848.7124 62250.7557 30384.0808 63567.9872 37364.1800 22269.7029 50206.2334 21053.6047 Gulonate Gulonic acid 7398623.5760 10105939.5600 9801371.0720 9392002.9540 24295314.6900 13878069.5000 13801956.8700 12798060.1600 9988633.0690 21970327.4600 10961114.6300 26874792.8400 10539610.4500 8421504.4270 20349482.1900 11479755.6200 Hexadecanedioic acid Hexadecanedioic acid 39130.4802 27500.5315 43611.5147 30687.1397 34323.6594 22328.5127 32741.9774 33778.1611 42167.4782 40366.8680 34688.1490 41977.7718 24993.7216 24950.0340 31256.7114 16810.9512 Homovanillate/3-(4-hydroxyphenyl)lactate/3-Methoxy-4-hydroxyphenylglycolaldehyde 264173.2599 374824.3305 297835.6890 287407.8134 420512.8957 383091.9129 395195.1835 455494.9589 318711.7213 596390.5935 317617.6347 811553.2982 247509.6062 473466.1481 459115.0868 235711.8402 Hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate 83982.9942 55125.5454 79303.4437 53136.1307 62904.7531 56538.0534 62910.3527 51198.3717 97014.0826 70740.2639 72546.7624 54636.2420 49747.7850 59333.8000 69948.8408 38879.1914 Hypotaurine Hypotaurine 652013.5355 35541.1269 156980.4432 756605.4391 1779394.7340 24744.5566 552559.2611 283859.9984 365066.0315 1751516.8390 330310.6345 957136.1421 1549945.0220 244345.7502 1346338.6640 823286.2214 IMP IMP 414377.5507 542451.3076 496289.9908 304954.9796 380937.3386 417786.1893 456220.2640 410673.4725 611511.1540 573261.8313 485327.5230 229492.3715 423099.9163 522540.4182 510001.0480 155341.5018 Inosine Inosine 5716032.7110 10730858.7500 5893837.6530 5170841.2400 5077692.0370 4511949.3060 5989688.6780 5805562.2340 8624455.6220 11478222.9600 6594387.3970 12241240.3600 7683667.9410 3843884.5060 8845643.0050 4241875.6020 Isoleucine/Leucine Leucine/Isoleucine 5309373.6700 4510398.3120 4776652.5270 5535230.3920 8436769.5600 5699332.3570 5623571.7110 8023295.9390 8869456.5220 15425939.1000 7250818.8080 13235038.6100 7685527.3510 5432181.5500 9520623.8580 4892175.6380 Itaconate/Mesaconate 570031.2887 364524.9589 624733.8203 427552.3962 438080.3762 529526.4420 436870.0227 430180.3386 433881.5617 619168.4562 483672.2030 575123.8452 483450.6323 508435.1624 451705.5774 375375.4166 Kynurenate Kynurenic acid 8142.4916 19530.6448 5916.5190 15206.8134 25046.8175 9141.7987 25852.3727 17279.4687 24830.8507 41884.2936 20407.0589 45302.1136 28114.6307 12686.9193 42298.2750 14355.3805 Lactate Lactic acid 75124082.6800 95225901.1800 76759155.2600 65586775.5100 93700430.6400 83914023.1700 98158095.3800 83009295.8100 87365772.3700 110767925.4000 71737289.1500 113606532.6000 72303737.1100 72102299.2100 87393375.8600 68834922.6500 Lactoylglutathionate 13183.5302 6735.1648 14368.4685 14446.4680 21148.3093 16026.8232 21365.7291 24318.0477 10873.9633 17156.7071 9810.6396 24742.5124 16891.8261 17662.5530 34730.1199 13770.3170 Laurate Lauric acid 318426.6292 355421.2088 404601.8995 289842.8752 346834.4625 314974.8322 550297.0194 367951.0049 378272.0712 353839.2390 430021.5953 368528.2628 322576.0794 313587.5399 343271.9525 310816.6112 Lditol/Glucitol/Galactitol 63837.8405 97028.8657 69875.3436 63951.3760 60150.0465 91349.8458 46275.8938 76414.7612 55595.9852 93262.0608 53447.9336 83915.3182 46817.2787 71436.3222 61399.6639 57086.6344 Linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2) 22065229.3700 11715184.2100 22068153.7600 6021327.9300 15785756.6500 8342470.3910 10279602.9100 15409681.2100 11622104.6400 11715358.3800 21662346.7100 24215029.1400 8903249.0200 14979107.4500 8971435.4510 11865313.2700 Lipoate Lipoic acid 38201.2098 46436.2124 47969.2824 30949.4363 52378.3027 45068.3824 55410.2429 48757.0471 47523.0920 52581.2722 69190.1650 69049.6570 37795.5738 45508.5105 44630.1243 34482.7764 Lysine Lysine 929082.7926 1040089.2650 991851.2618 1192019.2940 1412550.3830 1068378.8870 1223420.6770 1330840.1720 1761192.0030 3962164.7730 1745125.0540 2277252.3020 1595856.3540 1162529.0490 2781952.3730 1062698.0410 Malate Malic acid 28615126.2400 27071757.0400 33670891.3500 33905452.9300 44014924.8800 29368307.4200 28051454.5000 41797654.4100 42073223.8200 55177470.1000 40029827.0400 51588662.1600 32186994.7600 27144226.0300 39863179.3900 27204145.3000 Malonate/3-Hydroxypyruvate 190776.1959 189555.4520 185543.9345 203387.0561 176052.5708 184460.8598 146138.9968 166012.0644 197162.2740 164622.7001 215321.0212 159175.4964 188647.3784 183174.3160 160368.5061 168314.5537 Margarate Margaric acid 688908.1012 541028.2477 797113.8099 464755.9513 618363.5997 514529.0991 885283.3312 496381.2944 819979.5098 554303.2035 871724.1052 609550.3400 441250.3020 476059.7535 507889.0022 463933.7457 Methylisocitric acid/2-methylcitrate 38141.8934 46275.6586 47999.4302 30949.4363 52087.8974 44940.7128 55413.8115 48757.0471 47270.1994 52502.9485 69190.1650 68856.1684 37846.6971 45355.1076 44570.3371 34305.1808 Methylmalonate Methylmalonic acid 152132.1410 179604.7677 186847.6860 172975.9465 221338.5872 155149.0334 174270.9267 220930.6294 210916.2764 356115.5860 222372.3752 350925.6819 212413.4244 195517.7878 210541.5153 199325.4862 Myo-inositol Myo-inositol 79865.6089 97068.4287 76429.6500 60724.4342 74585.5958 79027.8782 69265.7594 86734.6512 88114.2943 95626.4095 80106.9664 107732.6457 69371.3929 93316.1568 87643.6030 73942.6022 Myristate Myristic acid 1533150.9080 1787660.0170 1919814.9200 1222235.4540 1732874.0730 1303439.1750 2797056.8910 1577207.8280 1897693.4870 1622313.8500 2023773.7210 1662781.6950 1250299.4240 1544844.2030 1423088.5200 1325564.6620 N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide FGAR 13585.9456 1000 9629.1506 16037.1077 12641.6077 2290.7551 1734.6061 6714.4811 12224.2970 14991.8305 3530.8038 14787.9104 16306.0229 4331.8376 12074.7678 12730.6941 N-acetyl-aspartate/2-Amino-3-oxoadipate 51438.1222 51822.8040 47564.5790 54184.8826 62992.1855 45268.5194 53043.7925 45883.3284 67332.0678 57496.3930 51615.2795 64139.3735 54210.2763 168243.9678 49057.4328 64164.6010 N-acetyl-cystathionine N-Acetylcystathionine 11711.8159 1349.5619 6434.3592 20325.7975 22226.6564 2288.6363 11503.5657 13576.9214 23858.9149 34043.2129 21045.4300 18719.2413 25289.4070 8670.2221 40620.0490 33705.9684 N-acetyl-glutamate N-Acetylglutamic acid 1080217.4850 550688.7873 786100.8312 1691996.6360 1763866.6720 495050.4025 1102112.6810 1658009.1450 3259198.8750 3765098.4370 2047038.0040 3564751.6450 1965841.5040 863783.9123 3004934.8860 1723125.4270 NADH NADH 6585.2779 10719.4596 17404.5043 9856.0429 15478.3005 16298.1318 42184.1309 35055.5459 4903.2266 12811.0749 11668.3335 10852.8732 8209.8815 8937.8733 16172.3857 5488.0507 N-Carbamoyl-aspartate N-Carbamoylaspartic acid 19284.1225 1000 16090.6761 35918.6839 34181.0986 3290.8670 3812.4864 13433.5080 30377.7887 49917.6157 20327.1185 41435.5808 44424.6837 8468.4854 39024.0448 36700.5433 N-Formimidoyl-glutamate 28659.4277 14565.6280 24050.3462 80881.0595 39342.1056 10947.2479 22111.5834 45423.1625 72230.7188 174676.3483 96209.8562 73600.9557 86828.7210 21696.1666 81532.5543 30951.2442 N-formylanthranilate/noradrenochrome 10638.4505 14323.9584 11463.6907 13041.6597 9754.8044 8796.0382 11380.6898 11141.1183 8319.2025 9426.7988 12597.5248 7999.1812 12395.8108 14244.9801 11200.7278 13920.5228 N(omega)-(Arginino)succinate 10798.5610 7621.4954 14729.6611 24784.9012 25984.4550 10187.0708 14220.3776 16724.0936 16870.6384 43558.7289 21514.7908 41171.1013 24152.8210 15487.8769 31749.4477 22443.1512 Nonanoate Pelargonic acid 1866737.1770 1958766.6120 2077153.4710 1867524.9940 2347651.3760 1828126.5370 2058327.1730 1867935.2220 2096799.5200 2384717.4160 1987451.0150 1994842.4110 1986339.5790 2301099.0590 2377879.9770 1822719.1290 Oleic acid/elaidate/trans-vaccenate Octadecenoic acid 10438387.2500 6458297.0120 11357241.8200 3353833.9000 7862999.0300 6279264.7690 6617598.6260 8066099.3910 5854804.3350 5167877.8660 9472529.3830 10832427.5500 4373349.5200 8730818.8030 4020456.4030 5752968.5920 Omega hydroxy dodecanoate (n-C12:0) 12-Hydroxy lauric acid 48873.5188 38275.6139 52284.8155 24338.1798 29655.0281 28851.9127 41237.8148 24481.3759 101242.0516 48107.7840 48117.6050 34094.9216 28117.7307 31136.7586 39024.7314 20496.4140 Omega hydroxy hexadecanoate (n-C16:0) Juniperic acid 311858.7877 161056.5512 252853.3734 129973.4001 168477.4513 99622.6378 243382.8979 99238.6168 583920.6354 238635.4188 337022.4817 187519.8729 158421.8802 157013.2845 200335.1396 92788.5127 Omega hydroxy tetradecanoate (n-C14:0) 124534.7096 43954.7384 68608.7814 39132.5557 48189.2443 25095.5615 21448.4016 27159.8763 168245.4199 80972.9830 115745.6265 55991.6906 58356.0091 49222.6389 78621.5915 20669.5605 Orotate Orotic acid 386667.6852 209359.2070 371024.4895 501745.7015 395948.7479 160829.5382 210256.7077 285514.6325 518479.8629 584900.8357 446843.2499 540133.6867 518380.9438 304485.3240 415692.7669 450124.8020 Oxalate Oxalic acid 150104.5787 203084.0613 171658.7166 155649.4858 175858.3658 163773.4363 186783.5376 163370.8581 164503.5439 163118.2416 153359.0424 143377.3610 166583.9620 168470.6185 154766.2414 172345.3601 Oxalatosuccinate 12504.6195 13693.4157 18501.1348 10747.3223 11226.1418 11295.9988 17379.4901 12007.8111 12288.1475 9907.1948 11487.8173 7727.4067 11931.9854 14892.3934 9569.1636 12138.6061 Oxaloacetate Oxaloacetic acid 21869.3546 20938.6599 24213.5920 25544.2847 26310.1164 27062.0045 22429.2651 29493.1259 26666.7246 28525.8227 28275.0507 27661.2133 26184.1224 25714.6154 29388.4468 21092.0226 Palmitate Palmitic acid 46994281.8900 23791149.1700 49858609.2700 18042472.9300 28587544.5400 22269888.3500 60828857.6700 25374243.4200 35705686.7100 23156930.5400 38314910.0300 29533020.2600 18676890.2500 23301908 20381657.2000 21830971.7600 Palmitoleate Palmitoleic acid 3000411.6530 2221730.3330 3253470.0490 828426.4208 2467236.6580 1398571.5110 1416921.0700 2527458.8320 1227569.3050 898921.1355 1710933.5090 2189649.3610 867778.4650 2471812.3230 811326.0977 1686713.3180 Pantothenate Pantothenic acid 516682.9543 494817.6644 430259.2746 399421.2245 596192.6406 225596.7420 622735.4196 652709.8172 710327.1643 925133.7910 639422.7450 977532.8438 523433.6875 517286.6638 685920.3804 520854.9073 Pentadecanoate Pentadecylic acid 627904.5668 542922.2397 772290.7374 434054.4748 569641.9037 393346.6204 726734.9371 490282.7829 847548.9065 618807.7519 846725.1607 578587.0480 429002.8503 516638.2263 472235.7791 425384.3220 Phenylacetate/(4-hydroxyphenyl)acetaldehyde 159636.5826 209210.3287 192575.0373 156341.3146 171285.7553 208716.7804 206876.3647 199888.9189 268168.3522 263040.7501 257534.1141 186874.2765 191573.0617 200463.1377 221838.2582 169061.5642 Phosphoenolpyruvate Phosphoenolpyruvic acid 182354.6100 522950.6549 157193.7625 254490.7996 312508.1923 300233.7214 221087.4765 270614.9715 153222.3936 828536.8576 284120.8514 1037899.1000 407558.3996 277871.9349 490554.3625 474207.3099 Phytanic acid/arachidic acid 304252.9656 103622.1799 307035.3586 146593.6023 204858.0240 340048.9436 376768.4160 153193.0757 345103.2605 202244.2803 241272.4573 171675.5156 142217.4434 127335.8131 170045.4750 126873.0376 Picolinic acid/Nicotinate 41364.8173 42102.7806 45912.2042 47180.1347 49639.8101 45365.0957 47655.0099 57021.0868 39217.1015 48012.3103 43877.2456 51659.0009 48011.9475 50433.5574 55712.3507 50619.6637 Pristanic acid Pristanic acid 58275.7505 28130.0012 58337.2733 40527.1611 51739.2450 41779.8909 55281.1653 44951.1522 62184.9975 43195.1174 66691.4595 45576.8950 38617.6807 31736.6724 43835.6061 35274.6087 Pyruvate Pyruvic acid 862824.5000 2112942.3530 614282.2858 770712.2580 1078666.5000 789213.4758 468908.4558 484202.0325 666451.4749 750147.4923 598962.9715 689238.5030 983905.9388 1606612.7110 1043868.2220 951118.9011 Quinolinate Quinolinic acid 27194.1688 28001.4768 23758.1903 28987.0569 29103.9415 27243.4928 25315.3165 34338.3233 19761.6456 30181.8878 21473.6967 33305.3163 27678.1070 26093.4241 35947.4325 29284.2588 Salsolinol 1-carboxylate 27503.9244 26085.5229 15581.8854 22815.3034 35221.4192 27445.2137 40505.9416 34022.7516 47477.3593 176070.4131 48523.2343 146989.7352 36982.4831 40178.0466 71176.8763 18185.8181 Sarcosine Sarcosine 160676.5566 195145.8008 222270.2276 257438.6209 321020.0285 260338.0877 298942.4814 297605.1943 146360.3332 296031.2096 263917.2682 334896.2040 278862.2816 254717.4169 325344.0590 287525.5210 Sebacicacid Sebacic acid 88390.4590 100542.0794 111412.3106 91403.6323 114163.9421 106269.3783 105689.5272 103576.0006 126779.5907 160438.2268 124417.3807 151388.4198 119450.7263 91233.4777 155225.1892 96730.0559 Sedoheptulose 7-phosphate Sedoheptulose 7-phosphate 393044.4467 338613.1039 623596.6875 292464.1158 693447.1075 324955.7923 442267.6866 645715.1813 334961.7076 732002.2031 554243.6002 566116.0989 377888.2851 555104.4100 551913.4433 342083.2202 Stearate Stearic acid 25222356.9100 10596709.9200 27867313.7400 11016308.8300 14441907.3500 14388750.2800 34188485.5600 10924520.4400 19687964.6300 11573550.7100 20339759.5500 11555346.8900 10859738.6700 9633907.1570 11191363.6300 10538706.2300 Suberic acid Suberic acid 30829.0101 30718.6532 39625.0977 31219.1867 26427.8573 33078.8378 49594.0399 43837.8520 41376.1447 33633.6332 42723.8072 31653.8556 44711.4189 31446.7579 35406.1161 37041.5833 Succinate Succinic acid 2306835.2600 2322625.2320 3736378.1340 4238086.2690 6524547.8460 7465527.9050 6363098.9320 11350853.7600 1352315.6150 5587059.1540 3695490.9110 8530798.8320 3779297.9930 2857092.1100 3697670.6340 6646500.1120 Sulfoglycolithocholate Sulfoglycolithocholic acid 689777.5766 585455.8933 532010.5681 438201.0941 493940.4410 498268.6499 675076.6214 459712.8028 710496.0232 978768.1747 348777.1519 333809.8635 701819.3707 1057978.2610 1046171.4360 173582.3292 Taurine Taurine 45228381.9400 44651875.0700 62290082.8700 49183453.0700 62458096.3700 57154610.2700 54177414.6100 50727859.8100 52904217.2000 72707898.3300 49836583.8000 60163822.1800 46523015.3100 63535819.4700 64133073.6100 42443793.3900 Taurocholic acid Taurocholic acid 8408850.2950 11740868.9900 7226075.2980 6565478.7070 6692926.1360 5751177.6270 10755576.4800 6874096.3690 16666257.7000 19647408.6600 5443561.3230 5579715.7180 10611402.8100 19398204.5600 18307669.8700 2693121.7530 Taurodeoxycholic acid/taurochenodeoxycholate 2009559.7180 1609607.5270 1036821.8460 1140245.6250 940509.3866 948459.0060 1580645.5410 946997.4082 2609116.8420 2435978.4670 1138724.3110 987666.8186 1327052.2340 2108756.9850 2045215.8490 339368.1358 Tetradecenoate (n-C14:1) Tetradecenoic acid 243089.7331 192696.1025 301125.1817 107948.7183 221851.1934 155910.7970 194794.9987 292180.3024 131385.1241 125746.8601 260878.7682 201471.2929 96573.3427 168380.8666 127990.6564 138631.1110 Thiosulfate 12910.5259 98233.3628 35639.1401 15806.6672 8735.1573 66998.6046 34755.0839 37835.3319 11813.0995 11215.4452 19042.6676 9691.9783 8407.3912 25150.2834 24870.9155 18894.8936 Threonate Threonic acid 1554308.3870 3616235.5170 1652652.6440 1420089.6390 2305807.0190 2883621.5180 1516420.2140 1656240.5080 1836674.9380 2866890.1910 1067535.8730 1547496.6550 1768553.4570 1492813.7450 1757526.1960 1392028.9340 Trans-4_5-epoxy-2(E)-decenal 9504.1449 13561.9057 10402.8613 10056.6570 12428.8332 10359.6287 15935.6323 16098.3762 10752.4115 16559.1782 18238.7121 12691.4873 9841.7305 7781.7051 14556.8888 11596.7278 Trans-caffeate/3-(4-hydroxyphenyl)pyruvate 12628.6853 11306.4903 9346.9195 10930.1717 16717.8758 8239.6195 10097.0945 12882.4832 11719.7633 22396.6808 12770.1545 22154.1927 12384.7959 12271.1271 13335.2778 12427.1190 Tryptophan Tryptophan 628513.6829 593482.2534 693631.3808 708594.6227 1129024.7600 814970.0734 890489.4717 1318583.6310 953519.4224 1723967.2530 714688.1574 1745943.7050 812495.1782 817560.9111 1179799.8860 645430.9498 UDP-glucose/UDP-galactose 375174.5647 423453.0349 619727.2959 294094.8793 838348.9466 912344.3838 1278174.5090 1016093.6500 359290.7248 553906.7063 561955.4833 234866.4056 397069.3077 600833.9720 850671.2218 189331.0063 UDP-glucuronate UDP-glucuronic acid 692953.2625 44292.0295 993996.3083 518594.2065 276560.1199 321613.2979 465875.4398 633146.7421 731631.8144 916248.0514 199368.6958 90422.6001 500964.8006 213425.3451 504716.6242 6379.2043 UDP-N-acetyl-glucosamine/UDP-N-acetyl-galactosamine 708449.6971 692160.6780 918117.1749 573309.3320 1213329.7910 716221.1236 972192.7510 1072202.1870 549765.2076 1061854.3830 814677.6234 1036357.6510 806507.0897 809817.2052 964687.4353 655596.3095 UMP UMP 2392851.3330 2256688.4340 2877761.6290 2448956.9220 4170208.0500 3240038.4730 3285447.6030 3188907.5110 2087265.0690 3836325.7390 3087477.0170 3831729.9610 2997473.0440 2979062.7890 3589733.8090 2211492.0400 Uracil Uracil 176675.6250 293342.7471 211379.5708 203042.2738 248745.2739 205262.2046 214372.2138 215137.6493 323684.4019 370843.4876 280538.6306 301773.8764 280160.5161 358379.9400 267974.6842 297693.5561 Uridine Uridine 3044006.6910 6875971.1290 3647342.3580 3431865.0800 3414576.8210 2770875.0910 2299377.5020 3648405.3630 3049111.4410 4686455.6580 4080229.0520 7247960.0980 3778468.2200 4095505.1680 3258681.4860 4607103.1870 W-hydroxydecanoicacid 10-Hydroxydecanoic acid 43777.5372 40277.1623 50862.5123 29042.2421 33651.3196 27159.2670 55162.6871 26514.2982 64999.4158 47677.4158 38762.2068 32772.4287 30962.5848 29844.5032 40957.9181 24380.3345 Xanthine Xanthine 5803167.1740 7485676.5330 5388308.9480 4729696.2880 6479623.4800 3368168.4460 4835444.3630 5138888.6890 8885557.5940 11027755.2900 6486148.9980 10567419.0900 7043077.2760 4877953.7050 7683530.4540 4364852.1710 Xylonate/Lyxonate 389857.6247 311824.3026 414355.3898 370754.7042 508951.8667 658628.5749 590706.9723 542706.2324 532167.1243 667667.0855 383282.2273 553172.9439 317185.8750 433840.2390 632677.2945 484897.1560