#METABOLOMICS WORKBENCH riverup_20230405_230208 DATATRACK_ID:3846 STUDY_ID:ST002542 ANALYSIS_ID:AN004189 PROJECT_ID:PR001637 VERSION 1 CREATED_ON April 6, 2023, 11:43 am #PROJECT PR:PROJECT_TITLE The metabolomics analysis of Methionine restriction PR:PROJECT_SUMMARY Methionine restriction (MR) provides metabolic benefits in many organisms. PR:PROJECT_SUMMARY However, mechanisms underlying the MR-induced effect remain incompletely PR:PROJECT_SUMMARY understood. Here, we show in the budding yeast S. cerevisiae that MR relays a PR:PROJECT_SUMMARY signal of S-adenosylmethionine (SAM) deprivation to adapt bioenergetic PR:PROJECT_SUMMARY mitochondria to nitrogenic anabolism.In particular, decreases in cellular SAM PR:PROJECT_SUMMARY constrain lipoate metabolism and protein lipoylation required for the operation PR:PROJECT_SUMMARY of the tricarboxylic acid (TCA) cycle in the mitochondria, leading to incomplete PR:PROJECT_SUMMARY glucose oxidation with an exit of acetyl-CoA and alpha-ketoglutarate from the PR:PROJECT_SUMMARY TCA cycle to the syntheses of amino acids, such as arginine and leucine. This PR:PROJECT_SUMMARY mitochondrial SAM-induced response, namely mitoSIR, promotes cell fitness PR:PROJECT_SUMMARY through the coordination of mitochondrial fuel metabolism with the nitrogenic PR:PROJECT_SUMMARY synthesis of amino acids. PR:INSTITUTE Life Sciences Institute, ZheJiang University PR:LAST_NAME Cunqi PR:FIRST_NAME Ye PR:ADDRESS 866 Yuhangtang Rd, Hangzhou 310058, P.R. China PR:EMAIL yecunqi@zju.edu.cn PR:PHONE 15267181160 #STUDY ST:STUDY_TITLE Methionine restriction constrains lipoylation and activates mitochondria for ST:STUDY_TITLE nitrogenic synthesis of amino acids (Part 2) ST:STUDY_SUMMARY Methionine restriction (MR) provides metabolic benefits in many organisms. ST:STUDY_SUMMARY However, mechanisms underlying the MR-induced effect remain incompletely ST:STUDY_SUMMARY understood. Here, we show in the budding yeast S. cerevisiae that MR relays a ST:STUDY_SUMMARY signal of S-adenosylmethionine (SAM) deprivation to adapt bioenergetic ST:STUDY_SUMMARY mitochondria to nitrogenic anabolism. In particular, decreases in cellular SAM ST:STUDY_SUMMARY constrain lipoate metabolism and protein lipoylation required for the operation ST:STUDY_SUMMARY of the tricarboxylic acid (TCA) cycle in the mitochondria, leading to incomplete ST:STUDY_SUMMARY glucose oxidation with an exit of acetyl-CoA and alpha-ketoglutarate from the ST:STUDY_SUMMARY TCA cycle to the syntheses of amino acids, such as arginine and leucine. This ST:STUDY_SUMMARY mitochondrial SAM-induced response, namely mitoSIR, promotes cell fitness ST:STUDY_SUMMARY through the coordination of mitochondrial fuel metabolism with the nitrogenic ST:STUDY_SUMMARY synthesis of amino acids. ST:INSTITUTE Life Sciences Institute, ZheJiang University ST:LAST_NAME Cunqi ST:FIRST_NAME Ye ST:ADDRESS 866 Yuhangtang Rd, Hangzhou 310058, P.R. China ST:EMAIL yecunqi@zju.edu.cn ST:PHONE 15267181160 #SUBJECT SU:SUBJECT_TYPE Yeast SU:SUBJECT_SPECIES Saccharomyces cerevisiae SU:TAXONOMY_ID 4932 SU:GENOTYPE_STRAIN CEN.P.K #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - S1S2 0h_1 label:0h RAW_FILE_NAME=S1S2 0h_1 SUBJECT_SAMPLE_FACTORS - S1S2 0h_2 label:0h RAW_FILE_NAME=S1S2 0h_2 SUBJECT_SAMPLE_FACTORS - S1S2 0h _3 label:0h RAW_FILE_NAME=S1S2 0h _3 SUBJECT_SAMPLE_FACTORS - S1S2 2h_1+ label:2h+ RAW_FILE_NAME=S1S2 2h_1+ SUBJECT_SAMPLE_FACTORS - S1S2 2h_2+ label:2h+ RAW_FILE_NAME=S1S2 2h_2+ SUBJECT_SAMPLE_FACTORS - S1S2 2h_3+ label:2h+ RAW_FILE_NAME=S1S2 2h_3+ SUBJECT_SAMPLE_FACTORS - S1S2 4h_1+ label:4h+ RAW_FILE_NAME=S1S2 4h_1+ SUBJECT_SAMPLE_FACTORS - S1S2 4h_2+ label:4h+ RAW_FILE_NAME=S1S2 4h_2+ SUBJECT_SAMPLE_FACTORS - S1S2 4h_3+ label:4h+ RAW_FILE_NAME=S1S2 4h_3+ SUBJECT_SAMPLE_FACTORS - S1S2 6h_1+ label:6h+ RAW_FILE_NAME=S1S2 6h_1+ SUBJECT_SAMPLE_FACTORS - S1S2 6h_2+ label:6h+ RAW_FILE_NAME=S1S2 6h_2+ SUBJECT_SAMPLE_FACTORS - S1S2 6h_3+ label:6h+ RAW_FILE_NAME=S1S2 6h_3+ SUBJECT_SAMPLE_FACTORS - S1S2 15h_1+ label:15h+ RAW_FILE_NAME=S1S2 15h_1+ SUBJECT_SAMPLE_FACTORS - S1S2 15h_2+ label:15h+ RAW_FILE_NAME=S1S2 15h_2+ SUBJECT_SAMPLE_FACTORS - S1S2 15h_3+ label:15h+ RAW_FILE_NAME=S1S2 15h_3+ SUBJECT_SAMPLE_FACTORS - S1S2 2h_1 label:2h RAW_FILE_NAME=S1S2 2h_1 SUBJECT_SAMPLE_FACTORS - S1S2 2h_2 label:2h RAW_FILE_NAME=S1S2 2h_2 SUBJECT_SAMPLE_FACTORS - S1S2 2h_3 label:2h RAW_FILE_NAME=S1S2 2h_3 SUBJECT_SAMPLE_FACTORS - S1S2 4h_1 label:4h RAW_FILE_NAME=S1S2 4h_1 SUBJECT_SAMPLE_FACTORS - S1S2 4h_2 label:4h RAW_FILE_NAME=S1S2 4h_2 SUBJECT_SAMPLE_FACTORS - S1S2 4h_3 label:4h RAW_FILE_NAME=S1S2 4h_3 SUBJECT_SAMPLE_FACTORS - S1S2 6h_1 label:6h RAW_FILE_NAME=S1S2 6h_1 SUBJECT_SAMPLE_FACTORS - S1S2 6h_2 label:6h RAW_FILE_NAME=S1S2 6h_2 SUBJECT_SAMPLE_FACTORS - S1S2 6h_3 label:6h RAW_FILE_NAME=S1S2 6h_3 SUBJECT_SAMPLE_FACTORS - S1S2 15h_1 label:15h RAW_FILE_NAME=S1S2 15h_1 SUBJECT_SAMPLE_FACTORS - S1S2 15h_2 label:15h RAW_FILE_NAME=S1S2 15h_2 SUBJECT_SAMPLE_FACTORS - S1S2 15h_3 label:15h RAW_FILE_NAME=S1S2 15h_3 #COLLECTION CO:COLLECTION_SUMMARY Care was taken to quench cells quickly in -40℃ and maintain metabolites in CO:COLLECTION_SUMMARY acid to minimize oxidation CO:SAMPLE_TYPE Yeast cells #TREATMENT TR:TREATMENT_SUMMARY Mutant SAM1SAM2 DKO cells were cultured in SD medium with the supplements of SAM TR:TREATMENT_SUMMARY and growed to log phase, then cells were washed with normal SD medium and TR:TREATMENT_SUMMARY re-cultured in SD medium #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Briefly, equal OD units of cells were rapidly quenched to stop metabolism by SP:SAMPLEPREP_SUMMARY addition into 4 volumes of quenching buffer containing 60% methanol and 10 mM SP:SAMPLEPREP_SUMMARY Tricine, pH 7.4 that was pre-cooled to -40°C. 5 min after holding at -40°C, SP:SAMPLEPREP_SUMMARY cells were spun at 5,000 g for 3 min at 0°C, washed with the same buffer, and SP:SAMPLEPREP_SUMMARY then resuspended in 1 mL extraction buffer containing 75% ethanol and 0.5 mM SP:SAMPLEPREP_SUMMARY Tricine, pH 7.4. Intracellular metabolites were extracted by incubating at 75°C SP:SAMPLEPREP_SUMMARY for 3 min, followed by chilling on ice for 5 min. Samples were spun at 20,000 g SP:SAMPLEPREP_SUMMARY for 1 min to pellet cell debris, and 0.9 mL of the supernatant was transferred SP:SAMPLEPREP_SUMMARY to a new tube. After a second spin at 20,000 g for 10 min, 0.8 mL of the SP:SAMPLEPREP_SUMMARY supernatant was transferred to a new tube. Metabolites in the extraction buffer SP:SAMPLEPREP_SUMMARY were dried using a vacuum concentrator system (Labconco) and stored at -80°C SP:SAMPLEPREP_SUMMARY until analysis. Dried metabolite extracts were resuspended in 60% acetonitrile SP:SAMPLEPREP_SUMMARY for injection. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 20 mM ammonium carbonate and 0.1% (v/v) ammonium hydroxide CH:SOLVENT_B acetonitrile CH:FLOW_GRADIENT 0.01 min 80% B, 20 min 20% B, 20.5 min 80% B, 34 min 80% B. CH:FLOW_RATE 0.15ml/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS SCIEX OS #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples S1S2 0h_1 S1S2 0h_2 S1S2 0h _3 S1S2 2h_1 S1S2 2h_2 S1S2 2h_3 S1S2 4h_1 S1S2 4h_2 S1S2 4h_3 S1S2 6h_1 S1S2 6h_2 S1S2 6h_3 S1S2 15h_1 S1S2 15h_2 S1S2 15h_3 S1S2 2h_1+ S1S2 2h_2+ S1S2 2h_3+ S1S2 4h_1+ S1S2 4h_2+ S1S2 4h_3+ S1S2 6h_1+ S1S2 6h_2+ S1S2 6h_3+ S1S2 15h_1+ S1S2 15h_2+ S1S2 15h_3+ Factors label:0h label:0h label:0h label:2h label:2h label:2h label:4h label:4h label:4h label:6h label:6h label:6h label:15h label:15h label:15h label:2h+ label:2h+ label:2h+ label:4h+ label:4h+ label:4h+ label:6h+ label:6h+ label:6h+ label:15h+ label:15h+ label:15h+ Glyoxylic acid 71799.38033 70449.85641 75413.99016 64086.02014 58903.28354 65509.72218 68614.97924 61492.30791 92176.62604 66322.01333 97085.50624 63496.75763 66831.10665 63928.61124 55524.24518 56605.3468 73957.34957 61958.64556 73213.07091 73795.11415 97178.88248 69760.11176 62580.54508 73647.62515 78373.32649 83125.23589 67230.08 Glycolate 10714.45983 12165.68004 3552.534304 N/A N/A 11918.23642 8072.399174 4359.036516 4384.180088 N/A 6550.867201 6415.514859 2846.432061 3767.044442 5572.889686 3360.087278 2602.840796 9398.509085 4493.373212 9673.802188 N/A 2500.560641 9815.970232 1994.225275 2064.86456 2936.593592 4094.22289 Pyruvic acid 65888.78764 24636.89498 36912.89631 20703.70001 19942.01655 12379.5376 25557.83904 76403.21703 56593.65101 21757.47485 28757.94824 41088.99562 93701.94343 55324.91672 105322.6986 27564.17514 24480.92798 31665.62779 79811.73696 16870.29555 34791.596 18716.02058 6431.471806 105042.7614 62778.45923 56949.81557 69289.01839 L-Lactic acid 8523488.443 4220197.326 5789371.875 2645980.02 2962156.681 3684509.932 4103535.564 6701826.715 5741083.715 3851435.923 3449937.308 3962574.679 9265369.125 6933466.565 11897406.52 2558896.216 2625180.906 4935093.511 7080958.583 3037095.165 3976474.555 3210966.313 3685122.566 12177116.37 6002819.136 6349596.938 5944045.386 acetoacetate 595618.8309 963818.6242 1095724.097 676163.8606 492568.9237 1099790.89 556014.3803 772364.4324 736026.8125 608244.4783 866981.5413 1025632.858 822902.7889 528140.5535 913697.3615 1007852.277 459190.2196 659632.8207 563864.3935 691878.9672 765101.0677 544138.7328 471842.1258 391197.2377 778154.1317 754341.7154 786521.1582 Glyceric acid 145477.3592 72349.05065 58457.93597 58055.59216 66046.18428 51121.65307 122089.9301 58268.7679 123611.7056 150314.6326 136383.0766 147625.3993 109836.0549 125820.5012 136784.2498 48608.67543 48019.7364 47324.27631 51918.84179 66822.72478 63065.8642 46338.40163 57007.54393 42770.3978 83176.91749 108641.0099 102833.6618 Uracil 486537.92 539005.0141 648573.5827 577482.6341 594510.9661 507031.8708 7029758.376 5358779.957 6208831.829 11120726.9 12353737.64 9549209.886 5347422.624 4053986.766 5145560.465 760587.7961 746007.0138 950305.9124 515446.7782 822274.2112 1376367.827 65045.93523 119930.3494 237575.1846 2462920.762 2732477.167 2441623.344 Fumaric acid 152848.1829 202804.1276 263326.8111 503562.0169 368579.1239 286327.0809 1855769.326 1175512.518 1491707.887 3492621.93 2718676.585 2674439.303 819721.7305 842086.6534 1073674.04 255180.0214 192491.3747 356736.4045 233753.1527 491548.3612 279448.3315 254969.8815 144782.8255 121390.9329 541069.7854 514923.2641 396546.5113 Maleic acid 930854.6341 539214.884 502527.7364 424850.5137 451067.6809 432879.4002 475106.8593 416328.1441 737772.0295 399754.5596 580073.0489 550642.3799 425330.2915 569773.4851 604268.3761 369690.0179 555157.3529 515172.504 424857.5938 297818.2094 536026.9334 646615.2814 470781.8526 424334.4418 479468.2895 660062.3363 766013.4244 Alpha-ketoisovaleric acid 193637.2165 227892.7659 334871.8427 474890.534 323188.5783 320340.3054 1748085.238 1115836.306 1458007.503 3344188.164 2797751.396 2777620.621 805883.0153 823459.028 1027373.835 291900.3991 192581.73 257606.2287 179420.9952 426651.1791 219564.9182 219747.4755 178631.5432 136907.1762 532431.5571 564319.6695 376230.6798 Guanidoacetic acid 5385.560957 5149.814766 6316.06167 4677.981247 4658.22007 2187.227914 12937.07205 22704.39341 14991.77716 20390.07642 18398.89958 25302.31934 5975.743466 14456.47663 1769.656083 5603.134101 2415.707133 2317.35663 8805.92819 8862.71695 7192.847465 N/A 3289.148259 3111.027766 5445.080177 10272.90396 13660.1491 Succinic acid 1894397.407 1053788.294 1613137.137 1534469.387 1325558.964 1842479.268 2465000.102 2289849.511 2377545.265 3423766.944 2835609.179 2894939.056 1539249.971 1529879.732 1199179.402 937670.5304 1359906.305 999103.2218 785622.6511 1135614.906 1474177.549 893581.4618 837469.5182 521924.4161 810476.0162 834408.4091 873466.3306 Methylmalonic acid 2136806.437 1217739.375 1899983.946 1889480.49 1595257.204 1986304.93 2836161.985 2591654.161 2653323.245 4024308.889 3315236.413 3342639.391 1786861.153 1610290.08 1363213.711 1094957.307 1591399.93 1205673.826 945263.0254 1220412.529 1723881.702 1021387.142 981480.0673 579275.4801 911356.7933 993867.0989 989035.6794 3-Methylthiopropionic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Nicotinic acid 27578.6413 42935.24498 34247.33252 N/A 33114.24465 55194.09251 64230.43014 17828.86131 31984.92552 14293.51603 15280.41011 22204.38259 N/A 27534.68612 22548.36716 75849.0827 36031.27686 31318.15896 6886.693348 16815.48852 11596.43708 11941.55107 N/A N/A 91546.74974 54745.18321 N/A Taurine 301590.2574 91950.15161 146990.6874 29795.81894 33748.18801 85285.65965 98776.86163 231332.7313 143133.9823 64390.20462 49665.92629 80885.91434 220296.2816 161233.4604 835084.3769 71053.39717 46566.35576 146428.1142 291489.6938 55310.32101 144254.0812 47181.67151 15048.19063 376861.7081 181100.6104 182999.6254 143157.6684 Pyroglutamic acid 151225.1464 47426.6872 66681.35992 25525.79377 23661.65579 24861.00067 127656.7733 151102.4586 119480.9681 74288.27214 106858.0607 75858.1424 120811.5776 102581.0765 114476.3463 29089.86021 22644.2389 34460.81193 115168.5682 57284.58358 65416.03332 21458.10098 18460.02959 98235.11689 62494.96023 50233.39499 65385.63967 Citraconic acid 1275199.753 481652.7233 649251.7674 553502.8524 407361.0813 425380.596 399125.2634 452985.9273 940639.9995 496531.9045 767549.6555 316389.144 320385.3877 514503.2806 526936.6015 417967.249 760512.5836 469379.7719 309908.7681 288520.0527 724436.5524 715375.9709 524466.3945 428676.5803 385449.1863 776693.8774 1106632.711 2-Ketohexanoic acid 20286.83638 18629.06095 17499.74925 8410.036891 18762.91671 5604.579804 29212.499 19644.2243 23635.25465 40844.24957 21291.64559 37345.0032 19712.62901 12510.77358 13573.63573 15641.79035 11646.98754 21922.36313 11549.73495 38340.00808 14247.41075 12567.74492 10554.35206 8831.303895 16930.59723 14660.5998 13107.27589 N-Acetyl-L-alanine 47871.9755 27441.26769 31785.44346 19904.40224 15016.75877 15562.1822 138281.6712 76122.07865 65407.9898 85983.58579 79998.69112 68823.21649 117779.0031 84682.15163 139477.7173 17486.27546 12223.38341 17036.75442 43527.57824 33448.58596 32501.7486 19506.71139 12704.62473 40174.14075 132968.049 117585.0759 123420.0012 Oxalacetic acid N/A 22080.74286 9338.400212 13760.2064 11744.27851 20017.36677 22265.36365 2168.895341 10075.52298 6344.695534 5000.046123 5227.332447 20766.29615 5480.355892 58419.55447 13318.71785 N/A 17123.06037 10761.89859 2643.411475 6157.607663 16998.1669 14380.07265 8852.358423 29624.06258 46035.84528 8726.870998 Hydroxyisocaproic acid 58597.90162 102385.8595 32054.48179 49081.86575 41227.54691 34718.90524 35842.34644 32640.84836 63726.05314 28863.07088 31943.84987 53642.92659 57778.48013 36008.19653 52176.10995 29953.3723 42451.37678 26937.33011 26084.27785 18118.77728 33136.63839 59640.89924 36232.25915 36004.08266 57012.28365 71385.2321 77687.72837 L-Malic acid 1565582.747 2103636.478 2409585.543 4211314.999 3555624.369 2978295.969 18508688.98 11687356.82 14327102.15 33201902.65 27103180.14 26295207.32 8791856.974 6925795.508 10223129.65 2540379.074 1690317.826 2962703.069 2379287.735 4512903.83 2093880.745 2013123.285 1856726.141 1275385.635 5077615.03 5645955.848 3778528.178 Hypoxanthine 7993949.888 8425386.248 13345264.17 510293.9412 504520.067 461492.5273 2243976.987 2189404.702 2779368.284 4071597.504 6012829.04 4535489.946 4077919.354 3011210.361 4066904.101 8650013.94 7313315.176 15823506.35 3047985.845 7051706.261 14610714.73 7954497.11 12816865.56 8336632.066 20578102.54 28508661.6 24860587.52 p-Aminobenzoic acid 153805.2494 121726.4864 223164.5792 13736.09328 20661.62287 20800.66781 47231.40119 11741.23286 61962.57593 84438.62418 7950.30721 95653.4162 28269.17943 20761.53209 25647.52815 3194.349156 118459.6365 12487.06902 5069.910681 2061.681582 231979.6891 123496.9213 165488.3612 146901.6687 381000.8257 405844.5814 414735.0703 4-Hydroxybenzoic acid 1724480.97 396806.6255 462237.2077 237561.7508 237356.4468 177182.5223 273568.1405 1457055.922 1028055.413 365155.4405 534415.8535 914664.5154 1326796.724 793818.7764 1475829.212 283895.6046 183209.665 349777.3023 1651384.893 256552.7686 459489.1443 273640.3853 146827.0167 1793628.463 637454.3354 623828.4468 607105.578 Acetylphosphate 141377.9221 257134.5528 311672.8921 178647.8387 199109.9386 175893.0164 215687.3248 152897.7769 208577.0537 321329.355 289315.0538 213033.4927 269512.2982 149066.6362 216508.5905 344333.3459 318247.2944 311150.7126 220351.5331 432344.3951 295204.1555 139751.6757 152639.2937 158649.282 90233.78554 61712.88767 47317.28723 Carbamoyl phosphate 43846.26832 73841.41742 68139.55882 151389.6113 196375.8533 177187.278 1346427.622 1041727.17 1029653.651 3525932.429 3001044.2 2083540.625 3332548.191 2150045.01 2899474.151 82294.31723 60127.39641 79860.93772 147378.4252 325309.001 94773.06288 681087.9667 546027.3754 364821.7832 2087993.156 1820506.15 1395458.609 Oxoglutaric acid 60940.8099 158418.5931 204164.0549 309887.6224 12304.82222 229505.7012 245432.4229 139698.8125 120517.8375 208684.0036 157414.7168 109337.4338 311304.7184 189602.5031 296868.8266 42888.60742 91411.08703 130171.237 69031.02945 183226.2872 169063.4114 90033.36869 201105.0574 51091.97054 107861.0443 187927.5808 207492.2952 Phenylpropiolic acid 125318.2675 129609.9477 100616.6755 120040.7264 102531.7741 104887.4362 50895.38012 N/A N/A N/A 116032.8798 71105.16928 31408.44938 100717.1985 77346.51542 88719.51794 142167.781 40760.62335 41162.23094 29029.69379 N/A 57304.95242 60765.15798 70191.73501 N/A 27574.65969 54542.36366 2-Oxo-4-methylthiobutanoic acid 40025.61605 13984.07387 37913.91909 12300.83712 9537.826301 25953.49302 3087.756278 9784.567887 12239.97632 4656.987872 7970.163655 12096.24147 4755.176356 12998.64009 5615.188765 3070.390054 10621.91249 3888.441217 7724.088417 6604.916427 15538.05822 10730.40494 19918.43867 N/A 4339.226527 7244.107682 6832.726939 Citramalic acid 473629.8864 495159.7647 473749.2493 324110.2575 293250.4681 463474.9821 599981.5126 412480.8102 598743.515 1062515.946 522359.6257 574533.4653 534479.7599 453698.9886 401522.3207 599821.9403 484726.2914 818156.6295 1145197.429 2392128.988 1367551.51 1248600.847 995861.1672 1168245.324 507450.9643 559804.7451 618451.5368 3-Methylphenylacetic acid 79460.03188 174606.4937 151286.2352 36979.54498 66971.74123 78396.49635 49201.88174 58161.68683 132996.6741 13283.48903 127284.7211 58338.99022 91300.31105 93795.51549 57280.94957 51613.95053 110818.1833 41478.53614 37632.65052 30547.60931 93615.16953 80495.15611 109873.2553 70707.94324 54850.31405 55569.33699 142774.2134 Xanthine 773522.4525 151787.1537 212480.0105 81124.23783 89727.11133 160595.1877 1446504.412 1026737.413 915314.9081 946602.5936 1559415.701 1544149.096 1061472.365 853639.3866 1387558.054 79254.34624 124203.8026 153099.3262 323241.0694 241216.2001 469583.1716 61211.76069 40428.87255 332978.5765 1157201.905 1262298.24 1219267.478 Ortho-Hydroxyphenylacetic acid 94710.97437 212538.9266 73631.61623 77011.0716 80690.79239 83849.15133 52491.64355 45194.10716 59915.56375 57044.75334 56026.04508 34646.41247 72239.12615 52361.17464 57362.37618 57549.32321 63506.71465 55391.60072 65788.94456 61074.74138 42290.90792 58619.08048 48763.13383 46517.34034 62490.82544 63128.5364 88389.33403 2,4-Dihydroxybenzoic acid 40685.06665 35035.50985 28758.05261 18458.02695 21012.53177 29704.56222 17351.71058 19725.99124 31159.38848 16987.69743 32456.90108 30528.59441 18346.7009 42279.78204 33681.96391 37199.45382 29810.13353 28180.26832 42277.90498 7873.640316 13629.26189 16361.82386 19197.86911 18252.2235 24842.86888 23521.23321 28238.70551 Orotic acid 1015038.643 1146756.035 1442011.955 319337.18 417699.5779 447778.3202 131561.1339 131977.641 480516.6527 155014.1618 142360.6401 106251.0195 73411.99935 82317.37945 85864.61832 1700677.409 1477814.501 2170931.177 1208860.404 1784688.47 3041082.568 178266.2433 113750.1007 460020.5952 89898.18084 121498.4395 107387.7318 4,5-Dihydroorotic acid 575936.7716 403615.4693 355571.2813 311089.3248 318146.5811 175336.0544 407760.7671 294477.2342 509192.7485 319246.7528 373677.0776 348989.1452 303751.7442 493406.0324 240517.7308 389156.1605 370754.2364 478443.2171 212106.8008 406640.9685 511692.1643 385701.5816 454141.6437 236722.4128 233592.2783 701332.6395 521048.4336 Allantoin N/A N/A N/A N/A N/A N/A N/A N/A N/A 4207.060405 N/A N/A N/A N/A N/A 4092.985134 N/A N/A N/A N/A N/A N/A N/A 3385.584587 N/A 4706.152424 N/A Aminoadipic acid 38000.58112 36857.15611 42852.56426 67207.42026 79025.85305 62602.62695 179173.0493 174366.3057 204983.8734 252025.4165 183664.4861 180726.7704 39646.73087 33556.76426 48461.84424 58696.25519 39048.1064 45281.21122 58152.40968 106738.1164 79734.95442 60970.52553 49343.44226 39905.66988 29315.63223 39459.32669 25497.71388 Indole-3-carboxylic acid 4113.961898 12741.13887 7484.422282 3629.731734 8473.615851 2473.998966 16371.3993 10966.07173 28106.30068 32046.41754 27986.35717 23403.68726 12233.95916 24020.72413 17898.56999 19038.95978 6088.462209 8840.022418 9773.339683 24445.37762 16843.28233 25510.71191 25079.73672 7565.137559 183362.297 175901.3677 166106.1967 Phenylpyruvic acid 37842.05946 30181.4262 44633.8206 18387.77175 19009.82112 49081.20582 25849.49398 31056.77116 29755.90779 17643.71076 25627.83853 20592.83951 21089.17582 26454.25877 16770.70399 16382.67318 38679.50663 20320.32775 19027.05062 27031.43463 21038.72345 30913.70444 19622.9244 23119.60456 22210.98346 10264.39897 18505.01493 Vanillylmandelic acid 11993.32309 17501.09073 12812.12687 6416.47501 11787.31993 N/A 7277.370799 11450.69353 9898.717086 6564.731566 11474.97903 7194.730422 7376.402277 7407.384337 9431.867651 12043.55072 10986.30034 11437.92126 8200.146118 11066.99325 15600.48818 6855.688512 7230.641632 8752.841965 7518.75968 6977.236152 6302.707448 Phenyllactic acid 8751.808315 8052.431262 5093.349192 9375.064654 5604.854752 9317.551829 54415.48322 26444.16748 28164.6573 34118.57792 40525.91871 33084.65911 31131.67966 24860.1315 33397.96067 4829.193061 4070.472057 4856.930899 8260.82774 9282.822041 8537.846361 1921.285487 7273.985143 10508.80851 12775.51922 18381.34496 18841.0281 Quinolinic acid 98842.32072 125161.7152 147599.2414 155847.84 176487.8795 176373.9115 287772.752 290968.1154 307892.1136 450175.5055 444926.8678 419569.7322 183805.9657 192837.3577 187361.269 180575.3029 180083.2116 220159.8196 298636.3702 451732.5355 382678.2222 402553.6141 334363.6238 260503.5366 321488.4287 324363.9114 320591.8906 Phosphoenolpyruvic acid 50307.35797 48628.38694 10391.59705 88758.84457 98732.25849 46211.77753 154505.0495 106821.3709 152476.9206 193249.3441 172522.3755 165036.9767 56353.48456 43987.72171 43823.40114 65191.75278 40075.82525 55898.18475 44810.87662 73307.53933 38535.88048 43570.6079 17516.5275 31115.13206 79266.44911 71075.81649 75311.61863 Uric acid 731744.3249 203813.4505 233478.0624 77754.37578 78282.83861 86023.9613 118647.313 516204.9849 447273.857 112107.6587 143136.2592 215945.9938 601604.8319 318532.4419 584631.1934 85893.13406 102918.302 101598.7097 709567.7139 105004.8277 251572.2342 83122.67872 49349.66677 645581.1616 382837.9328 372418.4799 394122.4019 Dihydroxyacetone phosphate 200352.0669 314061.5795 339255.6162 221492.9031 225919.1352 369966.914 275166.9189 305551.3285 288688.4004 222989.1811 286195.5135 288623.5762 139535.5863 122052.5732 91265.25201 436083.7778 310901.5151 388148.7662 484260.8066 656904.6116 521063.2947 528742.1572 445746.5753 410093.6461 156938.289 182474.5274 154136.1379 D-Glyceraldehyde 3-phosphate 311493.9784 428506.6799 469548.2215 333900.5063 338830.7593 418962.5441 342421.7224 415947.4353 385405.1165 268654.6682 356955.5777 388445.3523 161533.3038 156261.6385 126412.2326 579763.5136 424306.4917 514687.9364 673853.1727 787195.2568 677375.9826 670839.3973 551103.525 477250.2074 186825.0501 192833.7178 179926.6121 Glycerol 3-phosphate 280256.9596 397904.5718 332686.6635 153589.8627 245385.2362 177169.266 327494.2793 136363.9697 78089.1497 107140.3413 135610.2848 83309.91777 60046.82892 91579.64812 85279.08771 280968.0194 263575.5997 219418.3661 190185.2411 433519.795 319798.5232 1048445.001 1224335.475 825746.2149 6569337.406 7333387.651 6576161.14 Shikimic acid N/A N/A N/A N/A 4491.03857 N/A 1939.028579 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2387.779004 N/A N/A 2161.78133 N/A N/A N/A N/A N/A N/A cis-Aconitic acid 173489.5404 206122.8706 219214.5326 241176.9947 340704.2413 272689.5356 1085504.846 772404.0429 1176433.851 3350042.262 1974084.319 1874658.117 2795961.291 2518410.808 2139089.758 666342.3751 462247.5811 743953.6716 319987.3847 551046.0927 392881.4238 71124.87795 61204.89442 98093.7559 1319315.474 1249747.79 1619673.973 Allantoic acid 102980.6152 142085.4947 169401.2773 158679.8969 187732.3439 154239.0654 412686.7781 366497.0346 464070.384 620203.5856 529017.6892 468967.6523 197173.6335 239402.5156 177003.98 148772.0199 111762.3203 171403.7799 126956.7246 236465.848 142607.3226 32211.88737 20720.9415 62227.87316 18118.03635 20871.2222 22265.28923 Ascorbic acid 335827.7356 41522.18965 69809.8534 50547.90919 55110.58033 55063.30819 48937.15607 560978.8901 257787.2206 226629.4354 110219.3435 323153.3558 337622.2625 114041.1705 243281.8211 57431.71025 43591.13848 60069.17767 470781.9058 63809.72121 91440.04962 56372.61878 37282.25523 471322.6566 158188.2452 155433.1585 142164.4878 2-Isopropylmalic acid 3163565.772 4562168.344 5187161.068 1233315.777 1362279.113 1621003.488 1366476.848 1035694.521 2755193.249 2482362.722 2916318.123 3261292.567 1507100.787 1102056.094 1408233.45 4913351.409 4012230.349 5188555.044 2986283.597 5833790.023 8682669.255 4349115.32 4658702.871 5315474.216 2302172.73 2218972.142 1966089.967 Ureidosuccinic acid 24190.20997 31122.56226 60025.36665 27981.27899 35686.85524 38657.17178 14948.43813 12520.55723 26686.30569 15847.94571 10384.27938 7114.410408 5067.574347 3027.5205 5467.930171 79047.41884 46940.01589 76480.74791 37521.78495 56393.64157 53780.80748 5677.925689 N/A 7574.669563 7873.522071 1399.785784 4531.299994 Pyrophosphate 119303.8165 91769.37034 74724.75113 70004.68862 68499.83928 77847.97748 132827.743 113791.4963 170081.5005 274897.523 190621.0572 143502.6065 121782.1752 112929.0558 100466.6558 125176.4979 90657.19157 136168.479 175002.4863 319541.5419 211799.1129 161862.9501 181228.4173 140671.7802 180615.2959 207665.9376 210537.4249 Gluconolactone 2615.065006 3501.836964 N/A 3783.133348 2347.475533 N/A 3981.178997 N/A 23365.15019 3171.292134 N/A N/A N/A N/A N/A N/A N/A N/A 2410.06374 3496.758465 N/A 3619.634386 2630.531536 2261.177991 N/A N/A N/A myo-Inositol 80757180.66 80304543.32 81308703.25 80540286.02 97902407.51 111034498.6 88535203.92 94528412.29 109067051.8 107805219.1 105937331.4 107168778.4 78691111.15 89436457.83 80054324.41 98030992.33 108844272.3 85688172.72 89086269.64 83738177.66 111314193.6 86078719.08 82212187.9 75268420.79 84587597.43 92300233.61 83376063.34 4-Hydroxyphenylpyruvic acid N/A N/A N/A N/A 2717.155679 N/A N/A 3056.487977 5521.548561 2914.153249 N/A N/A 4153.086082 5318.13614 3181.047326 N/A 2208.119794 2300.391637 N/A 5695.256794 5310.945839 N/A 6744.173051 4299.751844 N/A 2296.497829 1730.687801 L-Homocysteic acid N/A N/A N/A N/A N/A 2531.382296 N/A 2026.315199 N/A N/A N/A N/A N/A N/A N/A N/A N/A 2463.046769 N/A N/A N/A N/A N/A N/A N/A 2232.34827 N/A 4-Pyridoxic acid 242462.733 321063.8884 355514.0073 798330.7674 181396.7916 297492.0448 188377.4056 255836.1415 225438.0327 220060.9262 478820.3663 211752.7106 456906.6196 194738.1512 175081.7465 242117.4177 957602.1195 204731.8839 198153.466 675620.0193 102210.2966 215038.6729 238246.6847 186172.9667 200777.4856 207641.6164 299811.4205 3-Phosphoglyceric acid 7334.971893 6696.392349 N/A 7146.137228 5933.121647 2059.604253 17831.4153 2526.051374 9565.991637 5859.970709 1634.728561 N/A 9370.42663 2522.320136 1801.834349 5946.675222 4095.385552 2518.157432 N/A 11838.10688 10283.98718 5035.398635 4304.861179 9792.876415 7478.761388 8514.951484 1436.086456 Indoleacrylic acid 161590.9078 53039.89454 87886.44878 52651.52185 53246.90567 104501.4423 40785.13936 79645.04601 136024.3784 56739.28789 56395.13267 59885.92129 32614.6701 60920.28687 28284.69338 72750.06014 87663.31865 69482.95077 67958.20697 78692.03746 73945.84868 87473.16931 88034.95085 48510.08999 42423.01872 56539.82633 69874.13407 Kynurenic acid 389825.8906 701716.3454 654912.2019 930924.0692 750796.9127 806666.9065 1873532.527 2285935.408 3047293.073 3997543.025 3703175.969 2835084.09 1229625.894 1310486.026 1465687.816 802809.1196 473564.1055 601593.9318 491056.8405 1054502.742 874490.7854 126609.0993 177960.3084 185949.0979 404433.8633 504995.5202 409840.2448 NA 93839.77344 123866.8828 121528.0641 70073.05898 159242.2192 136456.8064 63764.43671 10410.40494 3920.62554 306398.6674 714570.9043 706735.8616 123219.7013 382054.9865 296063.0484 136173.3436 175154.0683 186438.147 151610.1629 690605.5084 650843.719 338397.0033 207500.3107 202127.3061 559120.8516 567765.9415 685398.6239 Isocitric acid 11007.58989 35125.28919 39583.42478 113589.9439 46941.45837 11890.42791 24928.85343 17123.56092 30716.02705 88503.35455 24657.82929 19674.67501 32184.14042 37590.60222 66035.59396 5730.908807 5279.349115 25612.03692 2277.502487 34129.17511 37505.7387 18532.21326 37182.77341 43865.43037 20864.59881 102361.7679 38452.03763 Citric acid 360204.4482 546964.6789 596021.2454 530368.3944 N/A 68441.12933 22596.0239 N/A N/A 35196.6911 N/A N/A 86022.20461 N/A N/A N/A 138024.0926 N/A 230146.4965 N/A N/A N/A 22458.15402 33180.62997 N/A 33596.80124 18836.29755 2-Keto-L-gluconate 15446.88123 19508.50575 12298.88997 6189.581783 12936.35061 25485.87796 9253.877258 15865.31624 6401.93554 20020.11362 16945.47306 10026.24716 9171.777083 11883.98255 20186.90659 19650.61729 23141.42167 12187.44584 12663.94393 5423.02398 7738.522877 5919.409424 N/A 24002.10522 13176.11557 12707.65737 11286.46704 Gluconic acid 227979.5753 566293.7852 286760.564 212645.1009 282069.4329 423151.7079 262839.0532 374253.1781 338467.9254 401586.3121 403709.1466 346949.5641 200996.2752 194447.361 309020.8907 573891.0609 518402.5293 481168.6975 353790.4021 459867.0051 618055.2053 306483.5827 223967.5429 332355.1202 190546.7454 225397.3653 144315.3428 D-Erythrose 4-phosphate 244506.1563 388525.8642 404330.442 276815.0455 369274.6588 327265.6027 381593.3689 312652.7776 439053.7349 719606.519 485467.488 404612.7743 432622.9553 340481.3478 360504.2254 624868.8363 530924.8598 610738.9186 514313.0343 718074.8149 528979.5131 272218.4889 229305.1026 312964.5317 148168.0852 155735.3386 150724.0649 Xanthurenic acid 42733.95569 50135.83311 40560.0234 23248.56457 45201.86254 39288.57953 21281.75481 40269.33173 31034.07135 28516.75612 44174.49595 38400.33468 20241.36752 18232.70624 32347.03396 49008.46511 46314.67989 20507.73638 45459.9745 48169.8098 56231.71479 66888.55149 53580.89243 47708.10131 52998.1944 37469.12111 34111.57491 (R)-lipoic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glucaric acid 7100.397427 8324.258402 7033.582287 4887.165694 3350.320816 4165.28975 12413.19098 12744.79229 13039.6364 24284.64196 28594.35594 23122.66449 28167.42461 23798.37449 26235.66456 7262.415784 7699.199647 6849.206542 7704.301933 12314.59888 9982.861167 12109.46092 18951.67562 8797.620475 128295.2396 136823.0641 110440.245 Deoxyribose 1-phosphate 70349.35698 103630.9832 85531.17044 37638.40546 45949.18373 36566.30979 220488.4309 193803.8237 179472.6358 525722.1498 492141.0838 322439.636 310155.4368 267687.6556 286142.7436 71587.24175 63906.95971 87452.77883 203094.4917 321704.8817 172434.9104 343208.7583 237486.7878 177841.4 400095.3707 378634.1511 413319.9462 Pantothenic acid 89413.93182 119253.1105 130189.8356 260440.968 268478.1724 269747.7097 626998.5099 343117.7968 523639.2099 433327.0505 468649.2543 356550.1309 137932.9744 130230.0185 147368.7366 144322.6144 117066.4285 129180.8681 49845.02512 117010.6869 105074.9076 35814.02731 32843.2917 50243.55967 310165.6367 328558.1135 316251.7708 Prephenate 3439.348426 N/A N/A N/A 6318.481311 N/A N/A N/A 3244.43949 N/A N/A 3178.680023 N/A N/A N/A N/A 3145.697077 N/A 4685.808917 2958.329366 N/A N/A 2331.983228 N/A 4874.873128 N/A N/A Deoxyuridine 37730.15438 35643.20707 38274.06972 27555.09144 34977.25804 46161.73016 42020.50304 44043.11284 34154.33223 29648.78667 27888.39565 31655.23421 37984.05982 23089.96423 34282.52862 35807.1526 42065.5362 44734.2301 51787.28298 34191.52319 36811.26251 37956.04539 11701.59735 33843.36615 37771.08283 28820.50659 26942.75078 Ribose 1-phosphate 305902.299 413107.71 427834.2297 238335.6073 241255.7575 236046.1164 604457.5733 632147.1496 479188.3934 836899.141 829453.7237 683697.8239 435617.1286 432569.9833 449908.9255 553443.4558 464894.6675 554051.8919 496713.5484 1016210.542 683379.8246 556362.0309 554765.5633 389446.7292 666732.5561 743092.5556 641110.9395 Thymidine 31311.76364 50296.17236 34460.52812 26964.74593 38536.84872 23773.76853 32528.858 14562.2113 13481.75394 17072.8022 17379.69408 11078.65549 9965.102087 N/A 7073.805673 34912.718 34982.1773 21795.33949 27729.24886 46828.67637 33789.35621 128448.4189 113214.2562 86867.78733 758797.0219 891729.5989 669439.5251 Uridine 1177.277338 4032.699672 5652.873668 16903.02703 9760.41667 10060.43587 175002.7265 123266.8075 153136.9986 274149.9593 256663.4201 207084.4431 105010.2416 96116.63049 115337.5214 10505.81579 4051.812572 8764.966697 4483.179789 7127.644259 9370.432953 8548.174369 6967.967145 4270.561994 58927.78585 70411.8113 65056.29351 Deoxyinosine N/A N/A N/A N/A N/A N/A N/A N/A N/A 3165.314575 N/A N/A N/A N/A N/A N/A N/A N/A 2020.786033 N/A N/A N/A N/A N/A 1852.947068 N/A N/A Shikimate 3-phosphate 87058.06402 213312.9601 248487.5195 179264.0355 591953.4276 549526.2837 58051.62837 24499.16644 10436.03488 490917.013 489521.6894 365285.5159 91527.90962 203395.2686 146805.8294 555772.9764 617357.8298 593001.9541 76421.75076 541112.7957 446355.2444 222137.5864 72400.0222 279579.7328 220709.5977 107064.8811 158489.8622 6-Phosphonoglucono-D-lactone 3527.669029 6633.4306 6500.096695 6828.740383 17439.19399 20854.26941 4014.423673 10781.54261 21981.37058 34727.02256 8714.529657 7462.416157 9477.606823 4458.918462 14482.95776 34505.79867 26427.5826 12344.11351 19151.47386 27670.83718 11454.68487 16141.13064 7615.294932 18000.569 5411.74434 7113.867167 1905.835514 hexose-phosphate 2369723.524 4063032.458 4488803.019 3055705.128 3997240.993 3238065.37 4173741.617 2861902.543 4477144.104 9221603.958 5121705.498 3721004.018 4275376.564 3286982.343 3408610.283 6201142.949 5557592.964 6077765.432 5024923.184 7389264.842 5619620.922 3085849.323 2283952.053 3113264.27 1690557.747 1629358.032 1500371.079 Glucose 1-phosphate 28764.2268 53784.155 68703.81608 54205.11649 56229.26761 49378.33963 96338.81194 58926.2193 74437.04741 131649.7992 115810.6818 98278.60603 77519.82934 46928.29782 59854.66242 89431.05131 63954.03572 75034.12113 75655.79846 91476.61737 65472.70624 41852.95829 40345.18855 36874.63163 45681.03859 49514.68113 57033.43268 Glucose 6-phosphate 407601.3684 598075.1048 667409.6476 458153.3759 534610.9913 542745.6329 650435.2865 480360.2287 700613.2785 1181491.09 828800.0366 606169.2962 665882.764 521971.6334 492311.6655 909592.3281 788277.4236 927426.6294 827194.0348 1137433.968 796925.9221 434657.2658 349706.8696 463167.3085 216686.7769 187042.7545 206843.5515 Fructose 6-phosphate 325445.181 616293.308 721637.4255 460605.1751 539118.4671 443857.6784 635541.5323 449934.5224 746645.7498 1161535.463 746872.4348 597954.4018 635137.3247 519578.7211 502227.3272 809977.7498 796365.7988 932844.6084 806284.3524 1050831.528 727423.7441 407108.0061 326772.6642 398723.8816 215237.7234 221911.2944 207247.1039 Glyceric acid 1,3-biphosphate 4003250.016 2359749.347 3732716.382 2791098.922 2056841.943 3321319.001 1687268.29 2251159.313 2372386.637 1398998.112 1705844.731 814193.4125 844040.8375 2204261.194 1666148.203 1590859.606 3479303.679 1564357.295 1735606.713 1684586.165 2443994.282 2114397.65 1903275.122 1140889.223 1740420.951 2392257.32 2327802.02 2,3-Diphosphoglyceric acid 91268.63069 35093.29765 60629.32674 97893.34136 61246.91159 57409.18753 176317.5892 56111.15049 59191.11829 44945.40338 72715.44811 43630.76427 45598.97272 40224.06649 14571.46573 71346.48763 81074.69 45065.57378 28803.93081 30397.65114 35498.73709 50984.93912 32754.59026 20423.86387 6499.468466 19392.59111 32027.3815 S-Ribosyl-L-homocysteine 50143.27345 65413.64208 89793.06181 38054.09594 38593.30382 28725.52759 676811.6085 47504.00884 74921.61716 58698.86199 73056.29353 43488.60001 46213.27405 36911.3665 46405.70681 58024.02511 54356.9993 65544.91616 68240.80469 204652.7948 93986.60274 64788.31691 60932.83116 48154.70259 76114.96555 67064.2118 56033.46545 Inosine 33665032.12 42888354.58 65572492.73 2283327.839 2144866.335 2372917.357 12204108.58 8982022.528 11700384.78 19928297.73 21770016.22 18888070.11 17809325.05 13172148.23 15343671.54 38893480.05 34907701.85 77280884.74 15645794.32 30693392.43 51439692.19 32364087.07 44138499.07 33856949.21 100943033.5 109295383.7 103972622 6-Phosphogluconic acid 3106.588026 22682.99141 2449.400034 3403.229901 44008.19569 65920.50428 29501.62227 31331.61839 72024.77408 71284.96824 60299.36585 106557.6507 64766.88883 37529.55172 37454.04905 50688.76556 76642.25871 80009.58337 66502.06925 58163.96564 98901.31407 46363.13825 32616.22311 61660.76668 30619.10948 10736.61541 14729.59449 Xanthosine 210250.2729 245970.5541 386402.9741 86639.2404 95878.64179 75310.16911 686954.79 511227.9547 641117.8373 643748.4777 737340.7396 636546.7169 179912.9182 152476.3451 171385.1887 238736.0201 214525.6566 375691.6524 101020.7269 182763.5505 319456.4218 124989.1041 167163.2237 98841.49187 736265.2434 823866.9051 782128.2598 Sedoheptulose 1,7-bisphosphate 372217.0521 515246.8633 556113.6777 477002.7854 555428.9007 386155.0168 629161.3153 473813.5353 747267.4356 1886203.858 898579.3113 560186.0279 477627.8878 495345.3484 580443.8182 737629.5515 512223.3809 630897.4767 575043.0937 849645.0305 423537.585 488814.4665 333459.1627 339818.0162 643580.9704 685448.5895 652960.6254 N-Acetyl-glucosamine 1-phosphate 101801.4531 140331.9755 177576.4677 52112.63654 77810.9229 73749.10912 147417.3876 84999.17841 173548.8659 215541.6133 220756.3889 158283.3889 233134.856 234269.8012 231849.4203 145624.9766 107778.5218 177317.3033 248725.1757 342491.1106 199194.741 251791.4482 192785.6253 198803.656 286012.6119 321476.8818 295950.396 Glutathione 2074629.594 3094589.012 3199997.314 852497.298 1080664.308 1116550.497 2722676.195 1815252.282 1833126.636 3613029.236 4118317.723 3513679.341 1787581.147 1052381.931 1173642.289 5247593.017 3421972.583 4154969.783 3110086.397 5879702.813 5975071.811 2768277.166 1993482.541 1525972.793 4724053.87 4489408.861 4121639.773 dUMP 6309.21511 6278.212002 3394.279734 3770.548119 3773.056015 8573.935756 4890.494691 5382.17612 3241.229747 1887.808036 4581.215167 4042.974831 5095.367505 N/A 3531.672891 6179.964536 4854.468673 4564.503269 6205.522892 3748.593892 2427.115998 4348.935562 2175.162968 5170.66172 2697.201279 4044.449217 4057.98395 Geranyl-PP 5577.286415 N/A 3439.764796 2746.779204 2328.554317 N/A N/A N/A 3664.106761 N/A 2527.623619 N/A N/A 2324.357616 N/A N/A N/A N/A N/A N/A N/A N/A 2420.737202 2662.987406 N/A N/A N/A Octulose?8-Phosphate 32718.76254 80555.89691 73395.2907 64609.21807 82450.16113 61835.61296 102674.8647 84396.89435 94566.08175 124571.6701 112612.1144 85443.07525 70530.18386 57089.87234 63731.73321 83795.63243 83231.99557 81999.51492 74218.86142 115606.0011 70704.79405 63677.4514 34111.32821 61344.23505 92176.60381 79371.96782 63582.38689 5-Thymidylic acid 11142.39859 11229.26329 23700.83062 8569.130178 12509.93542 12855.82243 19765.37133 17701.78827 26125.33232 21995.72396 22559.07293 19165.53597 15832.42146 17826.09025 14715.07689 13976.84867 15258.17109 13101.91931 18739.03334 22827.1168 21380.23791 15770.80803 13787.71503 7748.481915 23439.6634 26335.57408 27962.64009 Cyclic AMP 18883.4902 64090.7138 87892.46237 38094.23731 37097.49032 34713.80255 1867877.515 62123.9296 93965.8032 75293.33858 100379.1014 57431.35917 27695.44089 25742.49397 31480.93404 39892.69691 35678.01945 28978.79792 17000.90271 333301.8114 84102.09205 47306.66581 62967.11594 29885.36849 74146.77745 57942.00354 71627.1535 Fructose 1,6-bisphosphate 4216.479352 13217.19576 24138.8417 6085.526452 23296.51329 60108.31443 3890.972611 7953.294425 9474.480177 27034.52807 7730.531508 17328.42767 15822.8349 17515.40317 24045.26257 40853.19527 41787.4648 39454.60257 13919.18337 7303.833288 22546.90965 25531.95026 19247.736 21985.88959 18854.45582 10125.04148 7521.00265 Sucrose 1236888.269 4342572.597 2997718.126 18319026.43 18934162.85 13846857.2 76143620.77 78853250.32 72424375.08 131182324.1 128673162.7 108820174.1 187320519.7 147677575.9 180026750.2 1463943.909 1217253.992 1801624.41 1407239.336 2999825.985 1789973.589 14916715.43 15767260.85 4627662.051 202544447.5 183558340.3 197501317.9 Trehalose 1187112.585 4265649.843 2722971.88 19250280.53 19912980.22 14606858.75 78741247.74 78956276.36 73237239.66 143168388.7 140301544.2 117768193.8 184551273.2 160986715.2 161479310.9 1629177.298 1405037.006 1948281.489 1450289.91 2724902.112 1797830.805 14872528.31 16543339.72 4666271.744 196203065.7 192144515.4 206355515.7 Cellobiose N/A N/A N/A N/A N/A N/A 3123.195246 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Orotidylic acid 315261.184 192892.8717 224024.1573 195544.5953 188574.157 180614.5883 221303.3316 179396.9536 152296.9023 173199.5667 168289.8512 162270.0099 102819.7296 114114.3525 146622.9402 178251.3382 183837.6402 86171.04633 152316.7579 110772.3651 127498.8726 124232.3199 68067.08773 130875.3105 169132.2137 210867.6963 67501.90836 Farnesyl-PP 10412.33663 13504.55242 9980.213714 7325.617202 9901.581037 24198.76784 9579.491453 9942.069429 9260.801802 8224.017344 14140.7013 7516.351093 10464.16792 10001.11371 11519.59113 10950.48887 22343.94846 16284.68852 16677.18187 20994.65054 26197.72019 16144.88096 24510.63764 24109.73519 12550.07473 11441.98187 11971.47837 S-Adenosylhomocysteine 2416393.565 2794011.178 2858493.11 462183.0956 615629.1687 444127.5279 1364249.115 1027648.755 1816145.26 1585168.835 1947051.793 2079629.761 438556.3739 373001.0681 500707.5098 2817891.645 3948727.781 4535569.499 3915261.142 3603797.898 5821859.435 898200.321 1037282.499 1389769.983 551455.1713 627784.5572 442399.8228 dCDP 15104.54946 18071.46329 15372.92464 12123.00304 15419.75892 10986.19282 19907.97577 16952.50214 22319.05488 25622.3225 28038.40315 22479.18744 23738.97169 23982.24328 22921.85801 11325.52616 12917.26101 17262.34521 42586.32639 37533.47357 46347.87399 45044.06697 36171.24803 38022.12018 62376.97311 74412.6741 68529.59336 Phosphoribosyl pyrophosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Deoxycholic acid 4041.427846 6726.081421 3596.187231 4315.53518 2339.052575 4848.786844 4056.488246 2650.392408 2725.021018 1617.603225 6344.229866 1486.251623 4830.573834 1870.631715 2146.364548 1596.747312 4855.048009 4313.36226 2963.83981 5638.097393 3513.880227 4061.411742 1358.951134 3769.375892 2639.1293 3748.322868 6204.697054 octulose-1_8-bisphosphate 89641.493 68880.76054 85041.14517 62095.87735 52833.17083 76986.27121 50223.4509 67667.33189 77966.83229 49954.14022 63422.61821 42609.62313 60261.02846 94971.64609 135700.4831 57464.52699 51727.52844 66705.78791 64433.13183 46581.45036 49277.29128 55468.29388 42259.46441 95922.84869 70566.95485 72466.64814 68803.17626 dTDP N/A N/A N/A 11905.15521 32930.17316 16906.15805 80598.91435 21112.64557 47477.91697 33020.27161 103455.4207 75244.1476 23449.2851 63500.124 60275.01926 N/A 25700.45603 35977.01433 28952.959 55904.41357 N/A 57486.21564 46783.47484 28215.49354 77614.3924 42062.36108 44077.95007 CDP 4552.247015 5254.097068 12000.11126 N/A 9486.33404 10308.66018 1587.266179 5737.97367 17273.50978 N/A 17373.11438 7372.940794 8603.626162 6746.603847 6075.545642 1312.610033 5412.354638 4472.209959 N/A 17259.80481 23089.13268 10118.00835 18359.76932 6241.898803 7553.364362 N/A 13449.08763 Uridine 5'-diphosphate 8293.489936 12353.16785 11098.19137 15265.80457 15909.1396 12246.1617 28596.3419 21954.06499 27305.65998 40889.17759 39497.16729 30025.45806 35295.56888 41387.71215 36496.78796 14223.99523 10289.19141 12281.81 16803.49884 13057.62632 7891.595953 11306.56507 7387.320529 7052.360483 56958.85517 64185.27182 45353.45526 Cholic acid 3638.117028 5757.157456 N/A N/A 3827.843735 8857.415965 N/A 5519.756892 9851.579207 5482.087306 6121.61457 5106.485443 5461.921737 6608.204138 5548.121207 7184.831527 2711.090187 6051.845805 2515.30052 6989.032172 5633.682929 6374.197076 12781.31483 3576.848239 4111.967638 1703.410828 5103.894961 Trehalose 6-phosphate 63483.1689 79873.87037 90629.52722 150923.6267 178335.5435 101419.1178 127610.6198 67731.50631 121833.564 221610.3991 152839.7463 123129.7061 144525.9575 126388.5635 109302.3909 106575.4777 90826.12549 88588.2094 74189.11537 104696.0041 85846.82722 99181.38647 80688.63562 75741.60876 119840.5159 172866.7371 130114.7404 Thiamine pyrophosphate 509124.4066 N/A N/A N/A N/A N/A N/A N/A N/A 241721.8202 277222.8059 653326.3464 117598.5634 71020.68271 146022.2439 108478.5254 N/A N/A 231173.931 N/A 404356.0034 253574.1863 232014.0964 141016.1293 182922.6308 207722.6725 135897.081 Adenosine phosphosulfate 1853.429821 5438.129249 3462.750585 10587.70466 10588.46046 19895.18346 11119.76225 9571.769565 12806.83221 4728.09873 10843.44991 7370.763807 16579.34239 19745.803 21600.65336 7301.651732 5297.885879 3403.095824 10020.41789 20090.4389 6167.512437 18075.14064 18843.28521 13191.36754 8810.103655 22770.4195 10375.08162 ADP N/A N/A 165389.955 N/A 1639977.961 1548340.242 2411231.331 1791518.1 1938085.857 1774762.816 1732684.593 1554464.802 1673760.315 1196470.897 1275143.983 2272290.833 2332868.296 2230172.797 1499040.968 1524817.966 1562452.212 1241247.672 582587.288 1654431.851 1435739.035 1282249.642 1250790.489 dGDP 86296.38756 165894.8616 157848.8416 175530.9507 290579.0899 222190.1611 1011044.85 291176.4987 635848.0749 969364.2514 1236096.785 942555.5028 1165365.655 701088.7576 582624.6485 804270.0068 347596.9645 794150.8128 946848.6525 1127991.535 1089813.805 1004831.957 692152.5772 1027980.241 755826.35 998437.277 755770.5134 IDP 14297.00023 34807.10364 30452.53306 32779.91917 96970.08311 24724.68482 163034.1979 68898.2374 107656.0334 123190.8896 256821.5434 221879.0145 218096.6977 168712.4286 144449.4227 95454.65199 107393.5152 81676.374 150717.5003 117961.5859 193948.6849 100663.6764 101810.3657 158447.2001 184672.1953 60335.17096 70795.69978 Guanosine diphosphate N/A N/A 3977.227482 N/A N/A N/A N/A N/A N/A N/A 11299.75647 N/A 2675.699682 N/A N/A 1958.884598 6072.171231 N/A N/A N/A N/A N/A N/A N/A N/A N/A 13105.87632 CDP-Ethanolamine N/A 2426.528461 N/A N/A N/A N/A 1888.028252 N/A 3503.244851 N/A 2697.213127 N/A N/A N/A N/A N/A N/A N/A N/A N/A 1888.027256 2590.509115 N/A N/A N/A N/A N/A Flavin Mononucleotide 17519.1438 43565.19484 30777.62221 29279.6551 29348.93405 37738.57473 49860.61866 26912.14533 44311.16359 33433.15332 55544.18157 35931.68338 18249.70743 17996.50562 21038.04115 39415.74045 36032.54597 34917.47375 24140.41672 22744.06597 40430.1981 44557.02996 41057.38072 33193.55685 26305.84915 34935.05826 34971.31279 Cholesterol sulfate 631459.0118 430134.7819 663738.9984 356772.2073 374465.577 333508.0185 357723.0512 964594.8828 1041984.254 651275.6819 592455.8462 421585.8532 1153960.561 1494551.006 2170950.319 399468.5307 414128.3628 595989.9348 1135952.372 539493.9421 654405.3343 391035.8053 355060.8025 1302322.935 842205.2507 853800.3785 745272.7111 dCTP N/A N/A 2153.782373 N/A N/A N/A N/A N/A 3925.961207 N/A N/A N/A 2427.436741 N/A N/A N/A N/A N/A 3771.025009 N/A N/A 2967.535191 N/A N/A 2691.960529 N/A 3773.712923 Deoxyuridine triphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3183.276828 N/A 1954.328408 1795.442245 N/A N/A 3293.445066 N/A N/A N/A N/A N/A N/A Thymidine 5'-triphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cytidine triphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Uridine triphosphate 28031.24125 58555.24601 120754.6993 156068.7227 290412.4465 238750.5722 281525.351 66168.8629 187746.1733 306672.1815 581546.1308 756472.8348 209947.6099 101827.2067 177380.1274 198410.2531 118428.7016 131138.7191 233332.0378 145481.9246 205404.2271 176174.0165 134585.2712 148739.9047 80641.31038 310718.4673 145772.4564 Citicoline 16149.29616 17501.32752 5329.901911 18731.74079 8571.048403 16907.77668 23577.66877 23830.76769 23136.74857 33298.8136 28481.47112 28973.51218 28716.6947 33727.55342 23156.69098 11838.12535 14066.43051 14341.94445 23300.93214 23502.62192 16880.71947 29116.47755 24815.73891 15816.99389 244100.7181 274111.0418 255206.1004 Deoxyadenosine triphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4855.051767 N/A N/A 4465.977127 3511.661955 N/A N/A N/A N/A Taurodeoxycholic acid 3217.978326 N/A 4018.552605 N/A 3236.697515 3523.895043 5663.984481 N/A 3510.652388 N/A N/A 3236.697029 N/A N/A 2694.159221 N/A 5130.454839 2964.93251 2963.60975 N/A 3501.742563 N/A 2968.235382 N/A 5393.18746 3764.650138 2427.524845 Adenosine triphosphate 397940.2134 927785.2603 1196864.185 1250632.222 1677527.818 1691651.528 2240024.628 1755321.595 1718960.241 4759205.717 5075973.103 3619837.08 3895127.001 2487491.787 2777519.207 1807150.716 2137708.039 1813823.61 1993024.344 2937075.255 3196699.561 3625839.368 3886689.26 4015701.439 4297403.62 4708793.355 4425588.224 dGTP 403417.0176 891515.4636 1181667.999 1328010.027 1739555.318 1739930.571 2277520.094 1686035.009 1727447.698 5032356.318 5083736.118 3681226.255 4054899.651 2589889.66 2673793.922 1929941.302 2139015.083 1860929.558 2104278.009 2891524.689 3213557.298 3656905.237 3757008.591 3950580.538 4404974.75 4481621.099 4289270.134 Guanosine triphosphate N/A N/A N/A N/A N/A N/A N/A N/A 2231.950745 N/A N/A 2193.91866 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Uridine diphosphate glucose 1388969.192 1825805.014 1522754.41 2093063.258 2351113.54 1925576.583 4001178.807 3828228.594 4132602.842 6516201.565 5970069.98 4615652.409 7635564.988 5998665.329 6078033.191 1850048.125 1431829.795 1678406.092 1976406.607 2652613.859 1771587.892 2136456.01 1780485.924 1762794.59 9288299.651 9235528.941 8599831.685 Uridine diphosphate glucuronic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A ADP-glucose 4314.691203 N/A N/A N/A 2427.524818 N/A N/A N/A 3794.475721 2427.524907 N/A N/A N/A N/A N/A 2697.25039 N/A N/A N/A 2157.800159 N/A N/A N/A N/A N/A N/A N/A Guanosine 3',5'-bis(diphosphate) 9689.757173 3737.465334 3025.568036 7851.345462 5101.151979 12503.76757 4241.206631 N/A N/A 5791.252441 3314.35949 5227.592893 N/A N/A N/A 10900.20356 3444.890313 2322.25887 5937.995754 5908.57027 6876.572808 N/A N/A 3089.678991 2186.633672 1887.131713 N/A Uridine diphosphate-N-acetylglucosamine 982412.8514 1122786.517 1076069.654 1026913.756 1100898.144 1044572.95 1291636.016 1221351.263 1680751.515 1789428.188 1679418.012 1412103.157 1726885.935 1768064.626 1792431.608 1142822.665 893207.8469 1101867.597 2554954.821 3145715.528 2124141.483 3498306.294 3315008.081 2950478.374 3823536.87 4697733.277 4028301.711 Oxidized glutathione 1490301.92 2677043.482 2926949.694 1163240.68 1608653.605 1081324.618 2960325.575 2445570.779 3674907.549 4321299.202 3814334.893 3009098.646 2960020.914 2602877.174 2380055.318 4791316.858 4645306.058 6863876.107 6760062.58 12410325.63 7991761.075 4129306.5 4273869.406 4622518.618 7346155.108 7747991.906 8092425.171 NAD 15331747.96 15549272.48 15094883.27 13377610.7 14690002.78 12064465.87 13411709.11 17244323.29 19934577.81 24813942.12 25145911.65 18478120.84 18400305.71 17017101.07 18386046.25 19561291.51 18778819.01 16547115.95 18840764.49 19655483.13 28652677.93 16258784.54 15005884.33 18645100.56 24444791.77 26101295.89 22805754.44 NADH 619910.3288 503551.9681 637493.5772 491212.8456 531154.9894 293710.2921 698343.8311 589047.261 847120.2717 566222.9607 709854.976 737141.597 523481.9602 379114.3606 502497.2739 821723.7154 690260.3898 936558.9828 989180.9089 918937.6869 1215106.696 1156892.953 845332.7996 796933.1419 954480.2351 1063965.662 918820.024 Dephospho-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cyclic-Di-GMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A NADP 734800.9456 843620.4388 720456.1826 1310710.066 1646356.238 1225678.525 1796024.288 1619239.738 1670037.913 3279475.13 2717449.872 1814339.307 1540586.204 1021392.135 1035567.326 1657159.237 1508575.62 1522662.544 1467491.322 1713468.923 1934658.84 856450.666 867370.5345 1003677.103 1362339.353 1144660.615 1290940.936 NADPH 27179.2094 35036.41042 50144.1813 62025.5924 89483.74436 94647.72764 112085.0459 87993.7411 70479.27981 66100.32949 98048.52272 95805.42371 26604.5233 6508.051041 7767.38968 64603.6333 58295.15414 39393.3671 44760.75701 67608.04517 54870.81545 19671.19692 20048.04218 20506.14514 26528.03125 22350.67608 25765.86607 Coenzyme A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A acetyl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1658.41655 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Propionyl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Butyryl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Acetoacetyl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Malonyl-CoA N/A 3074.872937 N/A 2857.203898 N/A N/A N/A 3340.192957 5901.83816 N/A N/A N/A N/A N/A N/A N/A 2421.079753 2390.741263 N/A N/A N/A N/A N/A 2394.770071 N/A N/A N/A 3-Hydroxybutyryl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A succinyl-CoA 5281.305218 8663.607634 5841.656431 5297.522385 2571.484033 5781.108144 N/A 8528.415094 6194.243379 4756.163075 3349.851292 3315.394138 N/A 2102.112271 3525.667604 6786.776789 5998.44177 3154.849706 4763.399062 6677.499574 4168.206598 N/A 1956.592381 2505.498071 N/A 3073.361929 N/A 3-Hydroxy-3-methylglutaryl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2-deoxyglucose-6-phosphate N/A N/A 3330.382292 N/A N/A N/A 2426.193801 3488.755168 N/A N/A N/A N/A N/A N/A N/A 3735.165099 N/A N/A 3581.537049 N/A N/A N/A N/A 2205.477614 N/A N/A N/A D-2-Hydroxyglutarate 546757.3613 614123.6628 569313.8692 373096.7297 418993.7586 413615.4953 728513.1116 579024.7436 844638.8288 1247974.044 773018.4076 928296.6551 552001.3521 468088.0819 424157.9974 661553.8378 426881.4069 766847.1943 861760.7049 1678401.867 930269.7013 830733.6176 649377.2882 592763.6153 501414.42 434056.3797 513292.1023 13C-Serine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 13C-Methionine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 13C-taurine 4395.119291 7063.895477 6162.81977 N/A 3726.601725 4359.389223 9433.396554 5405.484505 6504.138162 7131.652961 7271.646957 3577.398425 5663.376065 4079.203588 6526.974541 3214.489524 N/A 4987.441454 3530.088682 3594.987473 3933.184628 5020.857561 N/A 3493.762317 21985.38243 13401.21711 15930.03251 13C-Xanthine N/A N/A N/A N/A N/A N/A N/A 3037.282591 N/A N/A N/A N/A N/A N/A 1827.909947 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Glyoxylic acid Glycolate Pyruvic acid L-Lactic acid acetoacetate Glyceric acid Uracil Fumaric acid Maleic acid Alpha-ketoisovaleric acid Guanidoacetic acid Succinic acid Methylmalonic acid 3-Methylthiopropionic acid Nicotinic acid Taurine Pyroglutamic acid Citraconic acid 2-Ketohexanoic acid N-Acetyl-L-alanine Oxalacetic acid Hydroxyisocaproic acid L-Malic acid Hypoxanthine p-Aminobenzoic acid 4-Hydroxybenzoic acid Acetylphosphate Carbamoyl phosphate Oxoglutaric acid Phenylpropiolic acid 2-Oxo-4-methylthiobutanoic acid Citramalic acid 3-Methylphenylacetic acid Xanthine Ortho-Hydroxyphenylacetic acid 2,4-Dihydroxybenzoic acid Orotic acid 4,5-Dihydroorotic acid Allantoin Aminoadipic acid Indole-3-carboxylic acid Phenylpyruvic acid Vanillylmandelic acid Phenyllactic acid Quinolinic acid Phosphoenolpyruvic acid Uric acid Dihydroxyacetone phosphate D-Glyceraldehyde 3-phosphate Glycerol 3-phosphate Shikimic acid cis-Aconitic acid Allantoic acid Ascorbic acid 2-Isopropylmalic acid Ureidosuccinic acid Pyrophosphate Gluconolactone myo-Inositol 4-Hydroxyphenylpyruvic acid L-Homocysteic acid 4-Pyridoxic acid 3-Phosphoglyceric acid Indoleacrylic acid Kynurenic acid NA Isocitric acid Citric acid 2-Keto-L-gluconate Gluconic acid D-Erythrose 4-phosphate Xanthurenic acid (R)-lipoic acid Glucaric acid Deoxyribose 1-phosphate Pantothenic acid Prephenate Deoxyuridine Ribose 1-phosphate Thymidine Uridine Deoxyinosine Shikimate 3-phosphate 6-Phosphonoglucono-D-lactone hexose-phosphate Glucose 1-phosphate Glucose 6-phosphate Fructose 6-phosphate Glyceric acid 1,3-biphosphate 2,3-Diphosphoglyceric acid S-Ribosyl-L-homocysteine Inosine 6-Phosphogluconic acid Xanthosine Sedoheptulose 1,7-bisphosphate N-Acetyl-glucosamine 1-phosphate Glutathione dUMP Geranyl-PP Octulose?8-Phosphate 5-Thymidylic acid Cyclic AMP Fructose 1,6-bisphosphate Sucrose Trehalose Cellobiose Orotidylic acid Farnesyl-PP S-Adenosylhomocysteine dCDP Phosphoribosyl pyrophosphate Deoxycholic acid octulose-1_8-bisphosphate dTDP CDP Uridine 5'-diphosphate Cholic acid Trehalose 6-phosphate Thiamine pyrophosphate Adenosine phosphosulfate ADP dGDP IDP Guanosine diphosphate CDP-Ethanolamine Flavin Mononucleotide Cholesterol sulfate dCTP Deoxyuridine triphosphate Thymidine 5'-triphosphate Cytidine triphosphate Uridine triphosphate Citicoline Deoxyadenosine triphosphate Taurodeoxycholic acid Adenosine triphosphate dGTP Guanosine triphosphate Uridine diphosphate glucose Uridine diphosphate glucuronic acid ADP-glucose Guanosine 3',5'-bis(diphosphate) Uridine diphosphate-N-acetylglucosamine Oxidized glutathione NAD NADH Dephospho-CoA Cyclic-Di-GMP NADP NADPH Coenzyme A acetyl-CoA Propionyl-CoA Butyryl-CoA Acetoacetyl-CoA Malonyl-CoA 3-Hydroxybutyryl-CoA succinyl-CoA 3-Hydroxy-3-methylglutaryl-CoA 2-deoxyglucose-6-phosphate D-2-Hydroxyglutarate 13C-Serine 13C-Methionine 13C-taurine 13C-Xanthine METABOLITES_END #END