#METABOLOMICS WORKBENCH riverup_20230405_230208 DATATRACK_ID:3846 STUDY_ID:ST002542 ANALYSIS_ID:AN004188 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 POSITIVE 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 2h_1+ S1S2 2h_2+ S1S2 2h_3+ S1S2 4h_1 S1S2 4h_2 S1S2 4h_3 S1S2 4h_1+ S1S2 4h_2+ S1S2 4h_3+ S1S2 6h_1 S1S2 6h_2 S1S2 6h_3 S1S2 6h_1+ S1S2 6h_2+ S1S2 6h_3+ S1S2 15h_1 S1S2 15h_2 S1S2 15h_3 S1S2 15h_1+ S1S2 15h_2+ S1S2 15h_3+ Factors label:0h label:0h label:0h label:2h label:2h label:2h label:2h+ label:2h+ label:2h+ label:4h label:4h label:4h label:4h+ label:4h+ label:4h+ label:6h label:6h label:6h label:6h+ label:6h+ label:6h+ label:15h label:15h label:15h label:15h+ label:15h+ label:15h+ Urea 3379955.059 1376118.296 2149967.472 930819.842 1228032.647 1158236.665 1022470.87 1331197.261 2004656.656 774591.8597 3612897.715 1864613.849 2852975.039 781563.942 1072330.798 743831.6921 782519.6258 1019233.107 896796.7749 592373.8709 4431425.221 2280533.107 1580665.828 2474644.597 1597541.812 1930665.186 1666403.115 Ethanolamine 55452.63847 66015.85477 80311.54014 43328.43652 63488.21752 214462.1548 61315.37284 80852.33377 58034.65985 317220.6996 187453.6704 168203.2207 61096.14456 81480.92535 68518.33636 292333.7705 219006.2037 216605.5829 43767.99001 26016.26925 38325.35679 862580.4155 558825.0068 789837.3078 81312.94278 111599.1295 105221.6959 Imidazole 122521.6695 93006.10588 57021.23919 149455.8381 115600.947 148673.5994 177675.8865 137764.7183 184276.8766 214128.3792 520289.0554 226190.4079 175049.3035 187156.7906 141331.219 175725.4052 608053.1012 209465.6041 146856.0992 129026.5194 249109.7285 509815.0154 294183.8571 199090.3601 196800.3855 199809.4715 183449.7585 Glycine 24410.88964 30242.00145 24855.36956 30140.1864 34929.2824 35877.81758 32882.05494 34685.60413 39584.40156 31268.5797 31845.31204 28145.20822 36701.94771 19524.1434 27457.17717 27256.82098 28001.5901 23681.46093 27745.3177 32289.98951 28449.28988 26792.38027 22722.4573 23694.17318 29190.03702 29810.9518 29318.60461 L-Alanine 1763659.534 1364471.248 1371597.684 2425263.021 2113911.808 3121536.243 1690260.109 1448474.121 1394209.578 22899431.13 14282981.85 12067216.92 1846399.953 2337423.403 1522062.646 19261504.34 14946025.8 17158844.52 819510.7689 572830.8407 1939157.581 19157503.96 11733851.76 17949240.18 6990233.14 9929436.362 8261032.47 Betaine aldehyde 284010195.9 210588544.6 315263449.9 211464334.7 165914940 282962025.5 102418021.3 213454515 155876929.4 214707656.2 215989877.6 205826568.6 109547546.6 171222927.7 215233601.1 154351492.9 122110788.2 61956638.35 212515283.8 240657495.1 62390052.94 52009577.53 172851139.5 151985772 111098913.8 160770824.2 168766970.1 Choline 19221919.6 6240409.791 12045761.8 1101078.535 1893825.005 2797488.462 2024760.975 2779078.125 2000293.799 11170026.84 5737638.673 3806709.553 6815983.603 8090270.967 8473058.992 2838605.106 3499217.033 3210015.125 2712359.649 1335782.067 8930314.947 5135201.763 4891125.446 8445687.974 7788986.265 12748274.66 12929363.8 Gamma-Aminobutyric acid 40476.74002 44994.90011 41762.38207 31970.61457 41201.07094 24226.69555 25968.40928 39245.95898 31174.19612 274069.418 117688.7151 85220.44142 23329.24265 94694.3643 50756.43424 129944.2542 100528.9768 112072.7452 23661.97364 20644.55329 45463.67118 171498.2136 108774.2519 179388.2206 325257.541 393843.8925 406886.9498 Dimethylglycine 171413.0371 194619.1078 187740.5573 166648.1563 84669.94796 103274.067 96112.58931 71491.30106 135980.1501 1313180.92 1574408.977 905753.138 165128.7733 71356.04273 85440.80403 2745916.856 2773634.072 N/A 120732.9422 36623.71666 365226.7313 16253024.7 12175549.04 14069326.31 9828261.374 15194851.78 13120120.43 Serine 4013111.598 1425015.06 2021300.672 1863085.022 1900541.593 2097703.273 1646806.894 1324902.767 1464559.462 6417402.093 7335460.534 4949283.503 3073083.119 1969037.834 1721237.058 5933975.327 4875330.86 4864163.296 816709.0099 727495.4226 2863509.484 4640103.222 3319251.803 4932780.149 4143373.119 4972418.243 4744777.468 Cytosine 557787.1626 467530.9371 442169.3229 229426.4602 227095.2942 413933.4591 242394.3134 170913.1457 515159.7806 512384.8197 1488705.422 383589.2954 112478.6199 716408.1133 228527.2989 256855.6846 519173.6277 761533.5901 90482.99363 859990.3492 279146.1792 242717.109 544773.5139 372123.5656 197277.9635 219435.94 332955.2558 Creatinine 14443721.72 1870571.37 2929378.888 808524.1174 448299.8987 917875.9043 683172.1619 474460.7082 2807775.181 3264080.749 5390316.655 2595728.72 5027399.357 1610192.346 2612068.876 700287.8528 629798.7817 916939.5519 1068439.488 344032.2748 8390695.795 5020147.393 3138695.276 11644946.19 5277622.567 5461164.071 4692894.317 L-Proline 21657846.57 14441797.8 18545595.59 11988927.8 12366795.9 18774961.79 15600005.88 14176447.04 12972368.73 131332774.1 105747181.1 73894594.2 23460246.09 25055794.61 16717497.74 103285540.8 93788003.87 94886011.35 5765833.774 3523640.131 21504207.81 80104954.26 45980827.41 62039713.06 40821518.35 68633764.76 58454111.35 Indole 128332.3699 82674.57618 111383.2131 102786.4507 119694.0223 106113.7436 110251.6085 88751.06059 99997.91443 538496.5925 461283.4896 295304.4932 125906.2382 119036.7776 139100.1021 462328.6895 454617.3945 381854.6888 25113.90398 33273.85141 87917.52551 220553.6929 183568.8207 280977.403 120775.8713 206183.1603 198498.2287 Betaine 104468264.2 103241791.5 135829734.6 28381599.08 38167238.66 23158724.17 23183118.16 18158330.27 41104976.11 400531879.6 71230045.07 57616128.89 122985765.7 149843397.1 98298305.57 26363185.86 30555110.74 39465226.6 32415324.31 14850250.28 143832052.5 82249782.55 101210717.3 41311548.56 73552547.17 130834804.2 120226957.6 L-Valine 301078.8917 354070.5655 456370.0029 617019.7686 610241.824 673179.6991 436144.3789 473551.1542 565990.7548 4015838.31 3678862.197 3085198.409 397170.3066 412628.2628 315761.5439 4162077.744 3540686.392 3220898.688 118047.5227 120199.806 229120.5005 3351734.722 2036984.335 2793349.631 1326466.397 2278304.188 1999024.305 L-Threonine 3687013.079 2831350.936 3809173.966 3386950.026 4086401.32 4985162.307 4051485.259 4025280.582 4667672.605 16067914.8 14890832.51 12328723.34 3257807.251 4753089.391 4005682.015 21037046.84 18893276.84 17624691.98 1910230.599 1399583.192 2684643.034 18667084.95 11099009.56 15948494.93 7243190.47 10177785.63 8403055.077 L-Homoserine 425427.2966 361682.1009 296142.9245 211206.1897 178780.4629 135296.919 757231.011 771259.4039 1102751.506 233692.3794 245160.1578 368043.6345 1085460.313 879193.7569 911637.9298 268607.0552 211617.1387 174996.9136 282841.3622 437304.6803 800892.7828 143913.8077 106448.9422 123906.9451 671709.557 838280.9666 634949.416 Purine 150307.3832 108082.6778 124157.4521 118081.2738 153770.3835 186958.8104 108843.8398 92729.9248 118989.9265 1369542.689 702084.815 498558.1032 90077.55652 154338.2543 146267.7916 809668.9148 614685.8559 622411.7378 46498.41136 52627.41162 82832.03575 512375.0855 375828.7616 445303.3557 320048.9049 308006.0771 333970.5131 L-Cysteine 5053.617462 5206.353087 16089.23729 8015.835318 6310.624123 5170.316616 9623.080797 8100.694918 4541.66993 3030.607933 5284.276802 8388.036562 8123.477823 7707.276562 4944.378421 3480.09435 3425.347698 3672.535291 4989.987987 7457.299465 2623.130951 N/A 2847.233568 4600.737293 15131.77954 20261.63376 11570.90427 Creatine 10909037.6 3529208.878 3371847.94 1022185.482 603957.6453 1177884.543 1395297.309 616392.487 3269695.507 4292891.582 8683550.292 4763849.415 10858300.43 1659605.027 3823374.595 1110150.247 982227.0776 1722735.909 2124347.426 293340.4821 17432374.15 7915332.58 3297919.616 20547532.95 5245835.028 9386163.839 6738902.646 Niacinamide 1220574.253 1896660.222 1295421.865 2132032.303 2857492.54 1403367.632 7631382.311 2325527.283 4549379.066 4245910.189 3650375.571 4296959.476 4183973.567 3198279.138 2656827.708 5032408.048 5772413.079 7130724.062 1551160.152 1454806.795 4527066.914 5778947.534 2575596.78 2577392.52 4157685.813 3982634.137 3694568.383 Imidazoleacetic acid 555127.0143 320196.3715 433884.9572 206453.8191 280213.1935 254189.4918 370745.5059 328897.8832 390894.0023 723841.3797 900529.7735 848981.4434 615345.5843 458063.0392 322974.8382 1084180.022 774569.3766 711254.2033 231834.6271 177914.2639 493389.8448 748390.4033 464536.8576 900431.9078 313109.765 607445.0605 525542.1627 Thymine 57665.93236 197615.913 708334.5358 896371.8573 959658.0932 1082309.06 1122247.206 1006251.419 1216568.553 1110423.343 1184093.403 902630.9283 1296730.893 781852.0951 1065708.623 909867.7917 793950.1815 770773.8391 902134.5932 855323.7531 351957.8067 543516.9737 801621.9968 994181.6012 847900.0283 630662.0785 823401.8896 Pipecolic acid 67867275.68 113657127.5 112105346.8 231998384.5 216791909.7 237995095.6 164590324.2 148663004.9 183750770.7 705134512.8 625148953.8 586253728.5 96206259.36 221601481.6 121799128 714332093 522514523.9 554381366.1 70501066.61 64287211.03 54961570.61 421993106.5 306208292.1 392250273.4 226664154.7 266573714.9 234572163.9 N-Acetylputrescine 540070.0289 676353.0261 886410.4921 976089.6733 1458246.721 1041365.903 642553.2698 681893.0134 991768.7666 5986778.507 5112403.054 6648827.997 159818.13 867903.062 569642.8218 14582670.17 13295756.85 9113470.161 915147.0265 418419.4731 556651.5826 34705740.52 26522566.43 30007169.58 3631003.259 3991631.063 4036929.406 Hydroxyproline 1558434.32 1399849.731 1617712.442 1465474.591 1547202.983 1781955.412 1760034.857 1823608.439 1638662.018 1383927.728 1669496.85 1719570.689 1522338.894 1395056.893 1269384.906 1628907.602 1450594.961 1399353.923 1615358.463 1594552.763 1517120.069 1439546.754 1386414.94 1354382.547 1417956.241 1620729.931 1538788.69 L-Leucine 23754234.78 6942975.901 17295760.77 19418943.29 21185696.16 22721433.58 17160237.93 12135885.26 18338805 202766866.5 117083659.7 94205062 19138848.03 17208153.38 13656790.43 160225689.8 126078345.5 117921515.9 4835883.431 3258356.998 19317118.04 103849953.5 70934232.48 90367193.61 63898135.25 87065067.33 79141610.01 Ornithine 4371321.277 4177009.153 5016671.799 7387202.696 7962330.335 7244026.33 6758252.726 7772588.048 8663924.199 32747854.43 29941312.42 21068991.81 5336942.697 6091042.363 4129817.864 45431120.76 41295674.29 31581529.03 1445010.122 1099536.693 2603799.598 44165250.18 32598425.99 35725385.78 15503238.99 14920290.55 10868164.14 L-Asparagine 376087.1041 527586.48 505523.0439 849176.0474 890771.5026 757990.9543 600764.384 607133.8933 633524.3095 4050675.706 3312714.459 2544823.499 492568.6062 1030911.581 613029.8846 4600099.063 3639376.337 3643701.632 349385.6184 351271.2562 432549.2098 2583669.911 1836807.611 2701860.226 1773120.171 1959141.622 1856965.618 L-Aspartic acid 1680359.792 2290206.314 2225660.967 3616429.799 3637963.034 2958372.09 2415791.164 2002089.531 2466767.369 14123870.2 11838746.5 11453144.5 2102786.691 4499800.493 2162212.71 15314901.2 13617087.41 13585100.59 1932233.476 1492619.196 1598679.709 5950900.626 4730786.747 6620719.883 3811187.446 3731338.882 3061576.746 Adenine 165203334 227531996.6 225921055.4 107731507.2 85387558.63 75970681.97 294489416 319579864.4 321415681.5 136464126.4 78473965 128972918.5 204263378.9 278116170.3 250902088.4 67815490.61 61893989.47 45798134.68 92166311.61 134032156.6 166653436.1 40567619.16 36492732.75 30758525.16 223855255.4 249588746.2 218274672.6 Methylcysteine 816897.9723 632131.1388 664387.5597 1035050.797 1247022.551 966015.2686 497744.1668 547306.928 631878.1229 6538982.476 5028023.312 4163243.714 682216.4948 648255.4795 743689.71 6586068.346 6376004.631 5355767.341 314850.8746 245940.3231 576005.1737 5699604.357 4896078.633 5217534.257 3030654.132 4469973.198 3303562.284 Homocysteine 11565.00662 20669.43951 20351.32522 35786.48904 20261.26197 18193.28462 21352.59263 15001.87493 12276.92334 299444.5362 282752.6872 234905.0135 13656.20052 36820.05331 15120.51014 623686.2266 467227.9816 412267.9326 21282.85264 3776.445956 10304.38722 186215.2409 121843.7189 235993.196 29800.4604 54180.84628 21931.15973 1-Methylnicotinamide 10577211.29 13805071.06 20102777.86 1077527.18 946488.0026 986119.8449 12206154.99 12275101.62 22589118.94 3287673.47 3654042.657 3435085.524 5390753.219 11392554.73 13752651.27 6152607.506 4791364.992 4045192.205 10933628.21 12872384.58 12515764.7 4082787.489 3690039.772 4304321.244 18514019.27 24996910.25 21837384.74 L-Histidinol 115885.2855 70684.57594 60336.70637 166970.1168 81863.22839 60094.0227 240740.9128 16562.16939 139232.5131 128455.6261 77568.53441 103073.6273 63338.8299 174644.0799 65416.04619 157832.5232 169608.2399 48710.52954 123793.77 48669.32196 62911.78458 71676.53998 16362.16434 76187.23775 55514.82074 65021.74141 N/A L-Lysine 191586.9424 331834.3897 347739.0964 317397.3493 410047.4083 389676.8508 535093.0168 550187.7858 470405.5586 2419503.306 2107046.825 1614875.514 361615.0624 803086.4565 525651.3626 3380221.158 3722173.375 2721371.121 186181.866 105458.1116 205610.8442 3567612.065 2578311.383 3076487.611 1817922.762 1455812.89 1405730.919 L-Glutamine 21875984.18 40995525.36 38366773.24 86981118.88 73375746.36 97179796.22 57821372.33 55974799.08 66619680.82 261537562.3 219458222 224414849.7 31860386.95 81838737.95 40011853.59 257141652.2 200420869.2 190861421 22917558.14 19493119.4 18637412.96 147443436.6 109147744.4 150182293.8 90106136.16 93648192.42 84733524.03 O-Acetylserine 139762.5573 133365.825 104380.8848 202803.5306 242773.1659 132569.4589 432706.0067 188165.1757 348242.4711 310308.0264 243752.0379 525795.8088 280915.4154 146603.1528 91911.14043 260559.2053 240368.3332 321764.7212 230237.6064 103275.9261 307970.2583 350678.2624 139717.2559 90831.63067 94989.87403 78563.43134 136182.4617 L-Glutamic acid 30017296.44 49554277.02 45884033.74 66203049.73 73804387.9 59304561.76 55782095.21 51764214.45 67745294.3 290344032.3 276398198.7 224134681.2 42294984.98 97995443.77 51937333.74 306760503.9 232813145.6 238452502.6 39727097.49 37781889.68 29001400.7 141153483.7 110155896.9 143548598.8 83092512.67 95378137.18 82442228.59 L-Methionine 1232063.209 1210559.745 1109354.166 12820495.42 15448081.93 23318041.46 1060434.229 998845.7435 805089.5154 143425263 122796899.2 92819708.61 1076457.574 2007814.577 1010554.107 207541804.8 166336720.9 218427884.3 1869462.156 1210703.358 1547925.524 114632442.7 66366911.65 80236294.2 18064696.12 29786636.41 24051931.21 Guanine 1268139.621 1627796.037 1441328.249 562933.7189 517867.6113 386804.3245 1111261.113 1331289.166 1968742.905 2324103.923 3285182.747 2180313.483 544897.5777 1126224.337 1399059.994 2235338.143 2212429.405 1933327.941 901022.5802 1173090.405 954546.3629 866126.6286 707431.0119 835312.3692 3511580.387 4901669.087 4239334.275 L-Histidine 386564.679 N/A 313039.7627 N/A 1107746.702 2055056.974 1325382.388 N/A N/A N/A N/A 1484355.459 604081.8671 N/A N/A 1684087.62 N/A N/A N/A N/A 258871.9402 N/A N/A N/A N/A N/A 837179.2144 DL-2-Aminooctanoic acid 12308.44136 24596.23859 26468.24302 4748.685528 5296.661276 11814.95989 2724.009484 1986.102548 3635.868028 43659.1623 15633.51814 15924.95783 5456.687321 25138.44539 19704.02201 14173.42093 17619.61591 18833.1729 11829.75465 2371.353327 15614.57334 19768.04548 19655.44707 19992.19712 30816.02875 50698.59173 30854.35606 Carnitine 2927339.99 1650256.434 1812789.343 799755.9486 380841.2975 507757.1601 471226.0921 279010.2471 400889.0812 3538889.268 2016801.388 1266828.263 1399628.007 2339016.981 2061999.142 1837505.696 1086532.423 1031102.912 473186.0889 184529.3012 2217172.212 2163645.301 1262478.223 1380972.378 993346.552 1659835.187 1569359.542 Methionine sulfoxide 681125.9289 801426.0803 772380.4566 15146093.05 13001146.05 13442406.76 616399.534 653237.9171 757421.5057 80257918.12 84951307.23 99180854.64 741407.855 1511920.953 871699.1648 121248858.2 89591073.78 54640761.09 817531.9721 1270674.601 1602399.984 112250101.8 101420477.5 139730566.7 26038919.68 33823484.08 29209959.53 L-Phenylalanine 5840123.156 4395069.854 4796926.858 4942315.127 4967107.881 6789632.955 4108067.209 2979449.29 4450078.085 62223791.8 35171883.65 25909160.6 4138955.818 7823149.955 5845337.772 35634564.78 29982489 31132748.39 1539679.495 1107784.468 3280009.858 26038369.96 19072820.8 22065155.59 13355316.59 15779758.02 14617739.28 Pyridoxamine 7278.289344 9350.274623 11651.49743 11540.54459 15880.69152 13816.39211 5638.45708 17416.32651 13961.51265 16469.16039 25505.81129 5466.439316 13057.56875 29419.1336 20358.86203 5189.085404 9200.556916 25760.02259 11916.05815 13975.01619 11223.99442 37447.60739 17525.75063 28101.74994 6263.301925 25036.27185 24355.96294 Pyridoxine 450679.4101 551052.8396 966820.6416 410764.5031 1464214.959 5188128.197 3293761.922 3080109.9 2167005.01 1512414.422 349563.3588 272369.9853 155866.2516 461424.2022 477987.9961 1519755.172 551371.1533 687395.8319 398100.1721 186649.1625 338275.4098 601088.9985 768538.9757 806957.0346 403870.7843 436032.4087 377009.8014 1-Methylhistidine 24110.54188 45749.57597 66845.4404 42635.50638 44273.99764 35497.95573 48402.27405 37515.38296 24137.35763 176822.5891 114790.5328 115190.5536 27338.2146 53484.33618 50130.35429 132632.3348 115354.4966 100522.8357 21579.9749 71568.25135 18592.11764 47956.27912 44707.36855 64675.21372 43058.95323 61489.46149 48180.64779 N-Acetylornithine 2599115.066 5768873.922 6025283.959 3485159.407 4232629.865 3432988.04 4652961.16 3805056.485 6128000.232 17559209.11 17825628.93 16320646.38 3235727.465 6788682.932 3062236.221 25440188.37 20915598.77 20647875.46 889999.1636 1180468.706 955910.0121 26544803.71 14258188.75 22765712.99 7298151.804 10654304.7 10016559.11 L-Arginine 23241963.24 46391315.15 41845674.31 46862233.23 56845070.61 50623491.02 74209495.3 78221737.94 79013610.05 159279801.4 142384397.5 110370973 62121019.76 101135569.6 69075086.11 139812031.4 130787236.7 124013685.1 52760845.09 53709211.02 53751813.46 113043209.1 98297073.63 107257434 64382585.02 67943741.19 57203097.24 Citrulline 14826394.75 28297052.11 25968526.4 27490185.71 36013576.57 27263649.98 29993502.42 21941423.43 41041425 97928631.75 101079341.2 86555981.43 18639763.61 34412549.67 18978828.83 85059487.19 62658227.71 77988622.25 4650812.523 3298932.034 9445699.462 29491202.25 26075951.48 37363299.28 3543015.767 5407217.27 4185691.408 Ureidosuccinic acid 53074.23195 71775.14272 65461.54657 42869.41668 85234.20811 66311.9074 55281.69951 42838.23029 55302.2296 414333.7249 359402.5966 286435.9061 52474.58018 86279.31313 66325.84309 349529.8595 357355.9378 311957.7023 62046.85249 58529.65508 67654.5331 61869.36951 71569.01479 97140.85706 40131.27997 93469.8441 75546.65651 Glucosamine 1094263116 1038424502 1147076313 1071895684 1271990136 1289697555 1324128431 1298718633 1350899707 1159670846 1283474441 1384643492 1168242536 1131668687 1137835657 1307435317 1112989694 1137535487 1133571571 1172007290 1192908537 1120073996 1079883282 1105960098 1124760707 1294212599 1168646380 L-Tyrosine 927310.7538 662817.0651 579803.2151 1264064.946 1532639.557 1260082.164 571807.8398 481496.3549 700352.2218 7021728.006 6958745.735 5657565.986 840374.5658 776754.2045 767378.9641 8629150.825 6523927.588 6441040.907 363918.6508 298917.6588 604677.0437 6456812.429 5349007.117 6570385.844 3554370.697 4905664.631 4000072.921 Phosphorylcholine 221996.2013 401639.8944 766941.2245 79725.2447 124645.2883 202531.6534 210944.7848 215558.5262 215191.8941 810868.464 697649.5081 209202.688 240072.2813 729630.4468 500132.7549 224601.3189 401767.6824 249475.901 539152.9843 870046.6357 1177101.108 340807.4184 583802.4128 638904.9907 11955877.94 28429775.47 26219852.03 DL-O-Phosphoserine 6506.12576 12327.83797 11854.19002 17298.55079 3409.469203 10197.2418 10806.73302 6279.809039 6676.772482 4901.932463 6468.677558 9229.429266 12061.44488 13281.60585 10005.74508 6681.916296 5157.677704 11305.72533 2892.277209 6854.368649 8752.755089 N/A 4950.248667 3378.871667 7076.964921 N/A N/A N6-Acetyl-L-lysine 3799647.848 6561750.378 7193032.799 6227152.488 7493658.413 5400832.533 9506345.896 7301426.838 9922211.222 33953384.05 32052439.13 29764807.43 9085910.993 15295522.37 10597375.39 42842331.69 46300712.39 32218240.29 7037060.145 6231271.681 7480475.871 53443288.66 34539682.18 37704882.24 10999750.43 19329409.61 15920015.92 N-Alpha-acetyllysine 2827663.739 5204680.929 5624796.463 4402119.319 5675580.626 4551694.991 6503977.807 6340485.387 7950333.665 26262769.16 22261157.09 21269505.86 6718267.076 12047358.1 7338434.177 35563282.3 33615273.02 27982027.35 5496465.032 4523438.316 5662647.566 40200606.55 24575897.82 29290342.97 8370575.629 15079288.42 11913100.36 N-Acetylglutamine 3667039.54 6788202.891 5911728.218 6582828.826 8531824.937 6928694.284 8441572 8405752.237 10874010.18 21409228 18653344.99 17594680.58 7945485.655 15225094.04 15254718.04 20061891.25 19814494.92 18847483.43 3376848.712 4278710.398 4594196.348 15491906.22 10525689.47 9914176.083 14618781.01 20328013.69 18282425.65 N-Acetylglutamic acid 1145107.141 2248441.21 2379330.655 2164479.349 2461499.082 1790173.461 1477875.163 1176042.529 1900687.63 4338327.787 4098377.005 5076681.582 1282007.283 2014246.376 952486.14 4115892.041 2864831.079 3409476.12 251347.1955 475338.5601 234173.9173 2130683.146 1519916.651 2190419.983 467696.721 708725.3776 629175.2571 Asymmetric dimethylarginine 542476.7704 259581.988 329379.2607 113489.6349 213411.2916 170682.3051 200633.674 176500.6808 196942.31 881961.8169 684259.8708 601107.8855 538608.0343 368892.3969 243540.5591 627441.3894 744569.2119 677801.1172 238931.1178 212567.7516 375667.2247 1539510.422 1271833.232 1580730.34 1816366.557 2299226.324 1943905.587 L-Acetylcarnitine 3385673.984 2127727.232 1407006.992 1212264.788 727542.1044 522527.1892 1085019.962 669076.307 1106183.952 3669001.235 1750984.727 1561683.388 1555706.085 1339716.692 1281588.731 5786926.113 1915951.825 1629468.39 952272.7859 739064.7165 2100015.364 5690176.61 1058858.809 1050020.522 1263069.815 1896943.534 1768443.678 L-Tryptophan 1051262.414 742708.3366 1029367.629 932161.5783 995771.7737 881616.7965 895937.9798 909461.9189 1028246.349 5494525.304 4039294.374 3324717.465 942052.7613 1029593.695 969968.3559 4418740.753 4548085.155 3766874.599 259754.1723 243405.2759 699585.7124 2161744.282 1783984.227 2797348.734 1381758.268 2442043.575 2149130.518 L-Kynurenine 138834.9422 233248.3218 159371.3546 207659.2647 226875.2749 281980.3298 117907.3693 138905.2696 175571.8873 1623317.477 1389604.649 1192168.57 137409.8492 278413.3996 219887.6808 1995051.206 1644898.889 1627398.836 949429.3496 741667.0155 509913.4603 1744704.31 1082587.274 1791427.623 3330988.165 3910871.811 3479183.814 N-Acetyl-D-glucosamine 306097.6003 95430.15883 149915.2555 83393.33607 62769.96146 99445.33561 116028.2167 85555.88488 131017.5112 180386.1493 259831.7282 219395.0803 220371.7013 167189.1348 131222.0889 274492.596 261834.282 188045.0723 169310.3595 169739.4119 267718.4705 284199.255 197603.9113 224314.1195 128495.7032 165686.769 181084.3092 Flavone 102377.4566 149721.6924 146582.0776 185569.9351 158764.9101 77910.62547 165934.5138 144477.8289 176654.2784 123046.1105 153877.9687 176094.8656 112207.6737 119217.7935 113801.5755 123056.6298 127587.8503 108514.5784 124062.2105 112114.3662 107339.7804 134389.4523 110634.563 121452.1417 109784.243 171649.3162 147064.2721 L-Cystathionine 2022210.279 2683066.869 2928235.704 203438.217 234836.0104 177469.7193 3104944.474 3134306.672 3413258.466 324989.7295 274648.5848 384220.4479 2426794.693 3762416.005 2722085.502 395356.8695 368196.607 325004.3017 571614.9178 529062.9946 1145464.531 248928.703 130190.3386 244001.7287 187358.7754 228158.2185 176428.1854 5-Methoxytryptophan 10832.57422 9669.241375 5205.607344 17699.15524 42463.20488 18461.59241 22762.92412 19184.27743 19608.885 29991.60747 8922.87641 32106.28555 10945.86399 13657.96102 4296.228218 14357.81247 21960.18899 19222.29175 7932.991592 18348.69359 18198.56652 12707.74558 13160.31577 1441.154963 14740.08013 7739.603318 7776.573538 L-Cystine N/A N/A N/A N/A 3300.701379 N/A N/A 1901.038176 N/A 3433.04962 3640.104913 2316.057939 N/A 5799.291274 9608.933669 14804.26041 15723.69529 10851.05573 4730.850351 2918.902139 24832.31407 35684.54885 41208.73537 24034.8088 14885.5585 24833.19273 14694.22423 Cytidine 1416578.942 2528725.366 2296618.892 4564373.824 5000016.244 3075143.887 3433949.611 3297169.616 4852801.318 21051207.9 22748387.42 22630615.32 2222009.575 3931298.864 4007184.249 19805291.27 15867393.35 13500012.71 1559113.216 2083984.085 1751624.415 3057457.967 2306661.67 3163657.242 2155588.621 3567046.469 3030168.882 Biotin 31633.72232 139012.5002 1379157.956 766836.5197 771443.9149 1530753.893 115409.5427 911103.5159 683072.3584 1056151.165 1238111.486 132188.4322 104821.6955 78403.19679 45645.48341 716809.6079 93896.1816 58747.04583 83552.75356 89979.69737 17950.50308 280245.1422 22279.81736 95442.33162 97419.69781 201369.565 391005.7433 Deoxyadenosine 1799328.819 3467972.171 3418090.008 1558381.185 1812216.816 1836826.403 3970977.22 3619543.697 4664083.416 6045146.602 4475021.216 4911917.994 1656686.135 2978255.036 2628211.728 4706489.977 4243837.136 4519146.648 669475.0658 728442.4976 1151458.95 3632789.142 2559925.42 2878868.658 1810181.679 2059241.545 1797779.674 Glycerophosphocholine 69633612.3 109118002.4 103754924 48022380.28 86648049.08 106095286.6 91636024.18 134281016.5 80573147.6 92873604.43 47433161.48 27861944.84 50309923.34 108536958.5 62661832.41 30756196.53 27839273.29 17388524.45 281444813.5 245247704.1 191194301.6 15635199.33 15111760.48 15274237.52 813487055.1 1776204631 1359333186 AICA-riboside 82595.71154 87917.06479 67208.32386 116143.3727 112544.8707 78937.34326 108652.8169 65917.64554 147763.9981 243831.0056 244233.7103 235083.6441 73667.47642 123311.9414 90892.1741 298335.6591 268801.1124 236511.505 56465.07255 73753.17531 61694.71594 126064.8181 96324.27231 132977.3268 45008.91585 89035.77044 55762.47889 Glucosamine 6-phosphate N/A 6507.253562 3588.069705 3843.758175 N/A 4814.020286 1738.821169 N/A N/A N/A 3732.51326 N/A N/A 10142.90873 9923.904002 2219.523094 2491.659034 14113.37248 8816.132688 8323.300075 1608.973964 N/A N/A N/A 2376.229185 2640.221891 2420.482584 Glucosamine-1P 11471.91092 7978.286387 16694.22087 9149.477032 14784.52885 14280.74535 25411.55664 17821.2076 16889.11687 19906.4719 9169.228255 26777.2795 13170.37883 14168.26582 12154.99938 32335.71821 5111.745014 15956.9831 14154.8819 13404.14504 13983.89624 32686.66535 20095.89258 10378.17718 26086.27323 20284.93468 21433.76671 Thiamine 101162087.9 149291174.3 156426170.4 68190219.42 98893504.22 77645304.02 77586084.94 69785651.51 81918747.19 166428385.5 127004861.5 191700755.7 75889501.74 101465152 75378716 241419459.3 188701389.4 188940084.5 88940875.72 69384606.88 59201797.48 128890809.3 105805875.3 104641429.5 75334804.41 82271979.51 83095920.27 S-Ribosyl-L-homocysteine 9470.841178 1842.71676 5169.992064 3634.929204 8066.061526 N/A 4591.122125 9314.80475 2314.855415 31327.13901 5295.51043 N/A 3217.042934 N/A 7595.663836 5922.338164 6291.001253 N/A 3519.442804 4856.262457 3425.597993 2689.193206 5595.343227 2870.535349 3966.118011 9792.587004 1993.223946 Deoxyguanosine 525839.158 647596.4463 980248.7446 247807.634 346112.5703 199002.6761 670187.4003 770512.7682 1323846.092 498017.739 476194.1701 627368.9554 234127.4823 387587.316 561446.5026 595131.0207 432484.8984 397850.4282 153851.4483 153485.986 197697.1214 172426.9949 156716.0938 179656.3047 102464.9766 147405.0709 107796.865 Adenosine 15508724.46 19012687.39 26368016.86 15520670.75 13512980.15 13355196.2 21139870.15 19183865.78 24361869.88 305573627.6 29833664.27 25258590.23 18695364.2 53086798.13 19309789.89 15388704.04 13713503.8 13163852.16 15389612.62 14688568.04 11361496.96 11158950.31 11474290.65 11720790.47 13429973.3 12123040.42 13370312.02 1-Methyladenosine 3227738.795 4333167.823 4303449.135 3495163.893 4127007.122 2807203.375 3978936.321 4568556.086 4168437.533 12359548.19 14015903.88 14424114.01 4446474.507 5210348.748 4197155.218 26183147.08 25243578.01 20998425.96 4334821.573 3930632.574 5042258.121 35046118.92 22341862.43 20838894.43 27699596.03 53831450.15 45063231.19 Guanosine 1006179.487 1414066.231 1896213.85 471039.7217 459407.8632 359125.6717 882297.0069 1127038.737 2029935.457 2542801.66 2304341.682 1967583.889 390770.9596 772129.4195 1244132.223 2239533.34 1893824.923 1853688.46 702066.336 985006.5496 623850.4851 514013.5741 482823.5578 527520.3802 2541161.411 2902234.685 2821752.909 Argininosuccinic acid 289917.2238 412502.3082 464204.7693 422953.2081 553907.3362 624262.8014 578964.6389 601509.0324 695351.5095 1786633.063 1750371.763 934235.6524 445845.266 769756.0159 678697.2205 651467.5551 1488584.162 1499706.933 307615.3056 325591.3419 336051.6027 958370.2869 922360.9488 1589052.555 456489.4673 532522.6918 450123.486 5'-Methylthioadenosine 1910431667 2372076666 2133835819 909885064.2 1064684375 781199702.3 4532253994 2954009009 3734841788 1459418615 1065786487 1353087527 3098625034 3464660058 2899535612 1260895538 1360692738 1474461615 1513485080 1386373511 2533425484 773036643.5 453692287.4 416110834.1 2921629637 3646748399 3188175568 7-Methylguanosine 126027.6956 142098.3776 141560.2644 157550.1329 121351.4854 112236.761 105750.9129 102544.5933 147309.6594 616315.0758 518983.3109 565246.4407 87183.10665 121965.4679 154598.9773 571641.4166 592940.2909 372122.9372 181694.53 176741.944 131695.5408 180943.7429 145437.1258 137980.4731 1776891.751 3156486.373 2523517.028 dCMP 17440.96778 40999.24615 23681.47631 28679.11346 30054.47662 21578.1172 35284.53079 25718.68005 44444.38633 54633.03839 32145.98712 42404.60588 35394.76413 38064.66171 32274.83787 40405.47176 34265.37199 36447.11274 22806.66298 28650.98785 18860.00431 33026.38781 41050.30475 30978.93775 47050.88774 45560.15982 43623.42146 Glutathione 8430802.715 14843575.29 15155546.33 2997293.48 4555333.614 4413124.757 15359715.91 11161457.5 15968736.85 7030762.034 5594685.103 4840350.859 12991536.28 22681609.12 13173875.77 7270524.099 7095791.913 7613830.261 9483727.635 8293813.913 5008919.478 4829836.501 2588903.04 3429074.678 9712756.292 15175656.5 14152378.34 5-Thymidylic acid 66917.19981 45199.06072 76514.075 48234.965 38280.08831 60600.04323 33616.80838 43555.60381 41770.92585 29486.10827 43494.30636 39563.5099 46174.78826 42507.66258 40987.55873 30092.6114 24172.07371 27215.47232 45143.8627 57058.58551 21715.85331 23254.66939 38819.01839 25199.48784 26641.433 17577.35353 25887.5197 Cytidine monophosphate 227324.4516 297196.4063 329977.7985 401902.0084 499264.6174 366695.1636 424853.1998 362620.1122 462672.5393 1054043.003 882072.2641 787879.7574 497887.5391 777250.6194 413227.2027 1145369.46 1393868.026 1203276.343 609136.9921 523607.9794 451052.9782 1097640.168 1009949.132 948322.3335 729422.8274 1024984.221 784173.2888 Uridine 5'-monophosphate 196128.0437 229619.986 196017.4135 239548.7956 328159.8284 210419.3921 297057.4038 215406.1424 296027.2266 670429.1454 580377.9757 547582.4422 321259.9771 390210.4245 310757.2199 596549.6454 637280.4566 688612.9627 226081.3137 196957.0938 210093.0902 742882.5129 640277.8814 587782.7216 873486.7218 888449.5445 730631.9087 Deoxyadenosine monophosphate 4281266.107 3785880.096 5803418.347 3431147.667 4716992.098 5112654.601 5828489.477 4534074.401 6166856.775 5055738.043 5153926.701 6359816.194 7709820.475 7463135.872 5641316.002 5845710.806 4990863.234 3571060.359 4003298.208 4718800.378 6070213.479 4134041.253 2555179.266 5218091.715 4452667.069 6796728.893 5709025.44 Nicotinamide ribotide 712379.925 1092558.579 1073755.551 1177055.636 1757495.805 1124120.341 1576299.499 1336916.947 1459150.535 3155204.231 3184883.116 2896789.423 1089496.734 1307298.272 1807469.999 3579172.582 2975863.428 3032278.63 579688.8898 540326.1949 526722.9119 2379862.498 1943849.48 2060034.474 1740288.45 2139997.381 1538782.711 AICAR 37533.90949 47782.04506 54489.89834 55907.57362 73605.83569 69913.19274 73073.72861 51267.12415 62959.26635 50358.65812 64620.97401 78290.34736 71199.90516 97963.00046 79001.76314 75736.5344 49497.24195 52070.54039 75064.92013 69560.05596 57455.70186 36647.22341 51752.48248 38181.91845 32887.59413 59568.83641 20165.1403 Thiamine monophosphate 74577.21346 87463.12094 89197.99431 80449.48261 128747.7612 92806.34881 108448.3315 136583.0852 127661.9718 165878.5983 159860.8646 189970.0205 122345.0552 128841.2482 100281.744 255372.5904 151286.4762 183962.6547 67857.24706 73577.62806 64455.2942 113240.3889 75457.75665 85184.62461 43269.97715 72650.66693 45008.90834 dGMP 25129.73319 11017.47534 37311.34257 20717.55792 32948.50989 22756.22262 38871.66 58196.13777 52993.07978 22679.78261 23377.35262 30604.18842 34077.19646 26208.564 31374.73269 51355.5274 35029.73548 48428.46776 29900.85881 48049.92382 44859.75676 44317.18192 42892.66159 27991.94777 37344.43088 88530.17283 36772.73292 Adenosine monophosphate 18606544.52 25484729.72 30034277.89 18591601.68 25099581.7 23051614.42 55711050.73 44098851.27 70356415.31 62568539.88 48511293.65 63907158.24 65949417.6 74544092.76 46599957.19 35714564.21 43394078.32 44526170.67 24214931.87 30378347.12 27820365.43 40545446.09 29859504.01 31684173.2 17868718.31 21687623.09 19941300.34 IMP 1133154.21 1468144.385 1706752.334 1035468.611 1644651.392 1349379.718 3187138.883 2776794.116 4207336.325 3587070.639 3072867.011 3198823.129 3959557.113 4195211.919 3043641.896 1982018.738 2687950.358 2638824.195 1657693.082 1740823.314 1672483.216 2288495.428 1621050.365 1676027.747 1068587.682 1511898.092 1204301.5 S-Adenosylmethioninamine 504739.4931 201077.1649 192673.6461 174389.8567 47786.77754 795032.2375 3041018.267 513187.1915 1120911.401 635167.4557 132637.9787 185864.4244 196020.5456 780117.9303 1251103.941 163885.8899 494114.6375 407325.0726 468470.9719 94343.80094 177239.7222 201621.675 168200.6724 88002.90629 269183.9552 795322.5062 509417.0764 GMP 486147.1109 681223.124 695219.9584 527319.6124 830555.7287 719801.2964 944071.3183 899113.4074 1077670.926 1463644.856 1238362.708 1179132.487 966082.0481 1292176.39 1239343.239 1034802.347 1277260.657 1173090.329 598024.1696 578731.2132 620289.887 920364.9772 806608.3143 754802.5012 516886.7977 459254.609 513197.2174 Xanthylic acid 4348.878228 3576.122027 3949.206506 N/A N/A 3902.022555 4768.47218 7171.435327 4033.241377 N/A 2717.467462 4305.132937 2361.681692 2389.064999 9701.900067 N/A 3188.169537 2303.809166 1914.796755 3362.629727 3873.654124 3548.856917 N/A N/A 2631.086176 2360.0775 2207.098141 Riboflavin 292215.9363 326902.4983 429720.3393 257730.9712 326206.6522 270008.0334 483840.9904 402771.0075 479753.745 529703.4355 353635.8803 372799.6302 303431.2994 432710.2356 356887.3184 309906.8108 357114.9032 364734.083 368483.787 332370.3525 271324.7354 155578.5234 98205.39097 95885.43792 162005.8484 210899.1837 192074.4045 S-Adenosylhomocysteine 10293309.77 11771013.41 10897846.05 1886724.762 2140169.907 1713854.484 14879621.64 12870824.37 17670324.51 5272519.09 5053507.312 5225329.731 12707530.93 14355011.32 17458320.13 5101561.047 5742134.33 5997276.957 4096378.669 3874602.58 6100412.135 2039493.74 1533370.941 2227220.303 2264333.191 2359785.554 2089779.121 S-Adenosylmethionine 386419056.7 501923621.1 446367188 189770026.1 253560466.3 208390579.8 430360934.1 474609402.2 524932969.9 235738812.5 199012109.9 246248500.8 380477241.7 441481259.9 455948879.2 174334396.1 134697677.9 147357638.1 279636134 277506092.2 318317347.5 129137224.7 105474053.4 101826366.5 543019348.9 527563540.7 426403322.5 Folic acid 177339.0583 206539.4504 193399.7549 200576.1577 142719.5082 131666.5447 179779.8897 158037.5772 158918.3436 165011.1922 153823.4538 149647.4957 138363.5887 179544.2398 168162.3165 168100.3559 179105.7704 100285.1635 185517.0067 134951.7233 147962.9611 138718.8695 100436.2072 104247.2536 128516.6913 143171.7453 180795.1948 Dihydrofolic acid 21155.19786 24576.68515 26889.56176 25406.24262 13960.82519 6896.38578 10010.99472 13650.63398 23172.06731 14340.50161 6325.524627 20426.12001 14950.7533 23891.7283 10630.49322 13844.66554 17273.96709 12887.70099 14448.51497 12778.59441 26854.60149 10154.05817 25144.64215 9395.214145 14827.51419 23660.929 13606.06451 5-Methyltetrahydrofolic acid 31270.90987 15796.94462 42298.18842 19058.36015 29627.43291 15569.49192 48374.87047 19029.52086 45047.6726 31625.57139 38428.08517 16861.89296 38245.47591 23314.19952 16935.82794 24784.73729 24145.074 17085.44617 24372.27343 9286.378087 42925.7701 26599.7605 34027.9088 82627.07538 29142.79873 25820.78568 16428.92883 3,5-Diiodothyronine 9089.066458 9921.29192 7212.059034 1653.414075 9089.080388 15080.5684 7368.485115 6419.236517 6374.493319 11200.01513 5178.27481 11654.40281 1915.456537 8837.883349 4804.127083 27267.13183 10773.3264 7123.110207 10242.94556 17698.18079 5385.635553 6878.099102 3819.087388 2404.714785 14411.39025 13196.01252 19768.38235 Oxidized glutathione 3311022.93 3790701.049 3885685.586 1362968.364 1657321.313 1180496.655 4038527.944 4101489.269 5951073.383 2616566.973 2506605.951 3035852.473 6409204.084 8156367.853 5751528.671 3105074.549 2782170.452 2513751.225 5541878.821 5118884.537 4820762.674 2957417.521 2539937.147 2716223.508 8558998.968 9032859.688 8044993.328 NAD 98324338.89 118050107.9 111307338.8 80060416.23 108297612.9 85763540.42 114223050.5 143476768.4 131892794.4 107761693.3 107574400.5 116668994.5 132669849.9 148240161.7 131296605 131696579.9 116211537.9 101672760 98845266.93 91041183.48 95771348.5 118450005.6 68950055.51 102755305.1 112835181.3 175739465.3 141557274.7 NADH 12681612.66 15701037.26 16771181.81 7936673.7 11250292.36 8355162.796 20421587.91 13614290.06 15094599.05 17467090.02 10996776.71 12694865.79 20348271.47 24493624.21 18469535.96 8827872.475 8323114.71 12496256.88 24217889.33 15704021.25 14273915.11 8729845.54 5955179.269 8327596.71 12817439.65 24772164.62 18208105.39 Dephospho-CoA 134523.5823 154212.0998 135185.4263 168064.8469 232185.8438 157289.1163 186784.4354 118879.8662 198873.673 296542.7808 422256.8148 300857.6146 246821.7746 210136.7332 183549.1467 305068.6083 353654.7598 259529.8262 160741.8359 147592.9744 159367.9165 169313.638 99416.69802 110687.7233 82895.34809 156140.4656 88185.02149 NADP 3416999.046 4081553.247 4081660.099 4205117.883 6553389.344 4401568.742 3409148.489 4561575.675 3166423.72 4977662.688 4178483.819 4592792.709 3936328.711 3516965.449 3575291.884 6453251.134 5422309.382 3369432.454 3660336.959 2828706.583 2693044.842 3291720.67 2527547.703 2694370.331 3781992.896 3285546.555 3456544.919 NADPH 1307823.67 1573475.481 1945254.031 1622962.993 2302928.792 2498567.512 1272026.326 1701023.103 992569.1138 2441678.715 1780485.54 1730887.513 1018689.44 985406.3093 913467.4781 1093366.84 1890857.498 1933991.177 655583.2134 683823.4879 626315.4071 600280.3041 381005.5095 357521.1984 558783.7894 659779.5335 574883.2178 Coenzyme A 232407.569 344604.3542 345017.5576 327332.6599 248361.1101 150747.3621 264842.6209 220621.0136 145121.3714 330594.7324 290515.1547 297892.8781 261877.8452 118469.1185 37373.7072 256132.3254 N/A 117249.3721 33142.51387 51266.94558 11635.68105 237283.4918 160671.5812 193841.5647 115749.582 191443.7238 421415.8615 FAD 3908171.992 4673993.552 4229594.542 4786805.426 5209918.94 4968227.451 5038279.344 5081790.335 4200946.336 4460539.663 4860414.066 5186924.893 4612369.635 4939001.539 4630023.709 3993383.139 4068413.196 3493576.951 5475871.916 4958539.362 5082898.662 2468443.091 2037414.583 2145767.902 3428767.906 5636490.755 4840900.927 Acetyl-CoA 3753753.122 5513711.032 4631872.891 3518199.873 5454926.612 3345782.325 5162706.615 4907318.878 3710747.473 3922427.653 4193966.306 3359876.324 4007296.17 4269443.221 4642612.782 4532304.252 3656470.876 3415367.325 3730310.239 3349311.627 3020185.504 2729850.693 1624057.249 2301926.374 1980521.254 4123537.898 3292304.459 Propionyl-CoA 95354.58566 115278.8378 73505.69956 12524.9604 14747.71764 31397.26796 40520.08824 86320.23727 52277.03103 10395.5377 13121.05766 32667.69761 111464.5792 93006.48908 90252.78996 7911.537039 31784.34225 10979.48802 95090.79963 27999.87385 90970.21517 36489.00699 31521.88684 17655.09602 49025.59574 8104.379555 41126.70807 Acetoacetyl-CoA 8610.642253 6219.099496 2152.641783 5262.053324 7653.881238 7893.291196 4824.987504 7414.743568 3669.545898 4303.902406 6697.126919 5379.22674 3940.303626 2391.487785 7653.756719 3587.757435 5741.458022 N/A 4783.687895 1926.934976 5508.868359 6218.700977 N/A 3587.615413 2389.266053 4556.58823 10524.14563 Malonyl-CoA 8568.406024 19111.34401 23818.19585 11089.63656 20089.75957 10140.84393 4090.070031 7018.879998 2679.132674 3102.145248 3105.761467 3638.076813 N/A 15763.18258 3016.952619 2198.15859 4066.148848 4077.645372 2055.23404 N/A N/A N/A 3348.590034 N/A N/A 2140.119176 1829.920758 Succinyl-CoA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1918.291648 N/A N/A 1674.291413 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2391.873272 N/A N/A Putrescine 1030136.418 1539370.013 1143301.953 1559370.32 981060.7652 1284963.484 1240885.455 1139312.133 369365.7171 519863.1168 935196.9393 713300.3461 478664.6948 1101383.492 988133.6404 514776.6699 1464411.467 1541265.447 1609314.581 1706293.524 1631771.873 1707227.994 1692916.697 1774171.689 873969.2434 1962171.447 1827130.437 Spermidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Spermine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Sarcosine 493785.2276 305660.7763 320648.2847 299059.3692 334300.2136 416138.5136 246013.4406 209035.6442 283709.5187 2910712.646 2021269.117 1718895.524 597299.2707 363066.2575 325316.2945 2253056.049 1767222.512 2060701.253 174098.2112 82057.48385 869260.3299 2558402.588 1482512.166 2926370.356 990694.9137 1470080.667 1138974.602 13C-Proline1 38119.08614 68225.84697 90705.21883 48434.59824 37057.65401 54950.77949 58018.97779 75719.04623 70237.92641 50945.26767 63710.93261 45633.60048 53647.48882 39130.23354 38952.66412 41503.28129 37752.21406 30520.18916 35454.9023 38316.95108 53020.08873 32720.09364 32380.10528 25984.33003 122829.3689 136038.5987 116803.6078 13C-Alanine-1 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 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-Serine-1 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 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-Threonine-1 3415.805033 N/A 10140.93612 6460.164903 2413.281902 3266.287265 10930.11791 2583.261328 N/A 6657.579843 3993.068169 2066.951773 4293.316521 2815.798686 6900.792478 1524.85336 1483.598428 3733.835568 2274.442595 2179.261622 1742.392416 3342.070519 5540.791513 12643.51993 8172.508732 4959.940482 2361.954137 13C-Valine-1 N/A N/A N/A 1553.024722 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1690.931778 N/A 13C-Glycine-1 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 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-Aspartate-1 24189.10985 25731.60408 8461.605887 20299.8919 11720.90677 18600.53503 18066.36549 18553.10808 18566.7808 9558.411706 34768.86955 18410.66825 10259.24549 21053.43743 20823.54292 46826.47563 103256.8817 32254.08487 70713.72571 94711.04605 36506.79157 133885.81 129018.7819 58582.63916 72470.48456 88083.12878 80465.63715 13C-Arginine-1 2932.900506 4779.597928 5983.210975 6121.927306 8895.031133 5163.181857 42824.65916 8927.634616 14657.34944 5257.851937 8867.608314 14203.21183 19428.5564 25566.35389 25712.38974 47965.00276 72150.76002 58159.17144 88068.47614 48582.05185 38315.75268 72596.39443 25726.5272 31540.66168 114455.8032 100973.0646 31808.17409 13C-Cystine-1 2559.410318 2061.066399 3801.592042 2576.439535 5905.670579 8305.78572 3778.602604 4469.907372 11277.05504 13715.08471 12933.93466 7597.031971 6154.070998 1751.064291 10017.89442 5419.820175 9515.761977 4069.373101 4085.806692 4634.623082 3995.928665 18316.90123 3697.00709 1628.930336 2908.344228 6566.360694 7302.133435 13C-Glutamic acid-1 17220.70967 18449.87376 24135.94182 14590.24308 7881.686016 26819.49353 4066.137751 24875.29268 9089.149764 9804.219447 10288.88693 7388.131155 4050.796282 8365.534162 14232.40237 5945.621537 N/A 2389.42576 4070.968121 8131.081123 N/A N/A 1931.1741 3058.619736 2631.044982 9092.542231 8373.531835 13C-Histidine-1 264760.0652 204538.1474 272040.5593 228380.1264 184982.5136 474081.3293 294159.8154 378598.6487 335788.3218 267926.8327 223631.0333 331829.8571 219433.9879 215870.0617 204736.0282 192662.4716 89982.88528 106871.9579 163104.0268 156195.2584 222736.1524 103861.0028 111382.6083 91982.70289 34799.3643 57235.40018 143866.3202 13C-Iso Leucine-1 N/A N/A 2391.849451 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1673.813322 N/A N/A N/A N/A 13C-Lysine-1 1224346.639 N/A 849673.1753 545264.9008 1166916.96 676793.3056 1071659.378 1176751.141 812105.8531 N/A 767537.7058 1186003.006 693416.1961 569289.3796 769338.3417 160432.4231 723764.7733 193391.421 346489.4345 731933.3622 879552.5137 346699.9941 721181.5093 303027.4937 298014.6576 672949.6686 533855.2842 13C-Methionine-1 497538.4289 466932.002 513342.0607 400532.5368 337365.7829 472990.0384 440160.8254 504451.4818 437170.8473 431807.5341 451260.5331 384992.2878 322861.8354 331897.1989 478633.9853 284495.5603 299353.2288 276333.0538 521139.8083 451194.8919 274330.2157 226736.3032 342831.9579 310062.1048 433427.2144 563384.3949 556214.6558 13C-Phenylalanine-1 6186.142308 4646.120346 5644.275994 3338.321094 5539.589493 8970.274972 2228.241595 9376.494174 2721.650238 4850.577122 2651.173096 5306.306617 6107.772394 3558.007689 3904.832349 N/A 3146.588885 N/A 6823.295484 7236.741033 5517.547335 1731.07287 2369.297067 4336.369185 3848.737907 1771.377239 N/A 13C-Tyrosine 205286215.9 176300231.8 247782985.2 160618755.2 106051498.9 242225510 58284630.11 194935424.9 87086858.62 177189904.9 150923492.6 96202916.93 57921716.72 90498932.51 157082168.6 87511178.68 51963099.54 45114692.28 195125538.6 186914223 39962685.77 35840968.34 105013581.6 96942056.06 104772787.8 142255424.3 131636458.5 13C valine-1 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 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 tyrosine 2743868.22 2636106.949 3332467.245 2225757.916 1589236.202 3208611.368 822856.2822 2631952.161 1359247.924 2526133.266 2155102.27 1397304.602 896737.4518 1293725.516 2266491.407 1300784.537 911843.2617 608911.5788 2804524.581 2778868.558 600529.5816 559324.5509 1625831.865 1374713.103 1473350.629 2102300.572 2053217.044 13 C phenylalanine 6001.63523 5337.640327 7325.692173 3875.263678 9283.817042 4462.439041 8101.529915 5675.487836 13044.68755 9557.467871 N/A 8258.212094 5697.812671 7870.980806 8900.705948 8353.721085 4106.209804 2235.320875 2636.861065 1955.550126 7405.55545 3321.662408 12374.89594 5995.611919 5335.676738 7852.505831 12513.14929 13C lysine N/A 2870.225975 N/A N/A N/A N/A N/A 2152.673917 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1674.277213 N/A N/A MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Urea Ethanolamine Imidazole Glycine L-Alanine Betaine aldehyde Choline Gamma-Aminobutyric acid Dimethylglycine Serine Cytosine Creatinine L-Proline Indole Betaine L-Valine L-Threonine L-Homoserine Purine L-Cysteine Creatine Niacinamide Imidazoleacetic acid Thymine Pipecolic acid N-Acetylputrescine Hydroxyproline L-Leucine Ornithine L-Asparagine L-Aspartic acid Adenine Methylcysteine Homocysteine 1-Methylnicotinamide L-Histidinol L-Lysine L-Glutamine O-Acetylserine L-Glutamic acid L-Methionine Guanine L-Histidine DL-2-Aminooctanoic acid Carnitine Methionine sulfoxide L-Phenylalanine Pyridoxamine Pyridoxine 1-Methylhistidine N-Acetylornithine L-Arginine Citrulline Ureidosuccinic acid Glucosamine L-Tyrosine Phosphorylcholine DL-O-Phosphoserine N6-Acetyl-L-lysine N-Alpha-acetyllysine N-Acetylglutamine N-Acetylglutamic acid Asymmetric dimethylarginine L-Acetylcarnitine L-Tryptophan L-Kynurenine N-Acetyl-D-glucosamine Flavone L-Cystathionine 5-Methoxytryptophan L-Cystine Cytidine Biotin Deoxyadenosine Glycerophosphocholine AICA-riboside Glucosamine 6-phosphate Glucosamine-1P Thiamine S-Ribosyl-L-homocysteine Deoxyguanosine Adenosine 1-Methyladenosine Guanosine Argininosuccinic acid 5'-Methylthioadenosine 7-Methylguanosine dCMP Glutathione 5-Thymidylic acid Cytidine monophosphate Uridine 5'-monophosphate Deoxyadenosine monophosphate Nicotinamide ribotide AICAR Thiamine monophosphate dGMP Adenosine monophosphate IMP S-Adenosylmethioninamine GMP Xanthylic acid Riboflavin S-Adenosylhomocysteine S-Adenosylmethionine Folic acid Dihydrofolic acid 5-Methyltetrahydrofolic acid 3,5-Diiodothyronine Oxidized glutathione NAD NADH Dephospho-CoA NADP NADPH Coenzyme A FAD Acetyl-CoA Propionyl-CoA Acetoacetyl-CoA Malonyl-CoA Succinyl-CoA Putrescine Spermidine Spermine Sarcosine 13C-Proline1 13C-Alanine-1 13C-Serine-1 13C-Threonine-1 13C-Valine-1 13C-Glycine-1 13C-Aspartate-1 13C-Arginine-1 13C-Cystine-1 13C-Glutamic acid-1 13C-Histidine-1 13C-Iso Leucine-1 13C-Lysine-1 13C-Methionine-1 13C-Phenylalanine-1 13C-Tyrosine 13C valine-1 13C tyrosine 13 C phenylalanine 13C lysine METABOLITES_END #END