#METABOLOMICS WORKBENCH riverup_20230405_230208 DATATRACK_ID:3846 STUDY_ID:ST002542 ANALYSIS_ID:AN004189 PROJECT_ID:PR001637 VERSION 1 CREATED_ON 10-30-2024 #PROJECT PR:PROJECT_TITLE The metabolomics analysis of Methionine restriction PR:PROJECT_TYPE targeted metabolomics data 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 Zhejiang University PR:DEPARTMENT Life Sciences Institute 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 PR:DOI http://dx.doi.org/10.21228/M83M7P #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 ZheJiang University ST:DEPARTMENT Life Sciences Institute 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 ST:SUBMIT_DATE 2023-04-05 #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]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 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 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 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 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 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+ #COLLECTION CO:COLLECTION_SUMMARY Care was taken to quench cells quickly in -40â 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:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:COLUMN_TEMPERATURE 45 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:SOLVENT_A 20 mM ammonium carbonate and 0.1% (v/v) ammonium hydroxide CH:SOLVENT_B acetonitrile CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS SCIEX OS MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples S1S2 0h_1 S1S2 0h_2 S1S2 0h _3 S1S2 15h_1 S1S2 15h_2 S1S2 15h_3 S1S2 15h_1+ S1S2 15h_2+ S1S2 15h_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+ Factors label:0h label:0h label:0h label:15h label:15h label:15h label:15h+ label:15h+ label:15h+ 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+ 13C-Methionine 13C-Serine 13C-taurine 4395.1193 7063.8955 6162.8198 5663.3761 4079.2036 6526.9745 21985.3824 13401.2171 15930.0325 3726.6017 4359.3892 3214.4895 4987.4415 9433.3966 5405.4845 6504.1382 3530.0887 3594.9875 3933.1846 7131.6530 7271.6470 3577.3984 5020.8576 3493.7623 13C-Xanthine 1827.9099 3037.2826 2_3-Diphosphoglyceric acid 91268.6307 35093.2977 60629.3267 45598.9727 40224.0665 14571.4657 6499.4685 19392.5911 32027.3815 97893.3414 61246.9116 57409.1875 71346.4876 81074.6900 45065.5738 176317.5892 56111.1505 59191.1183 28803.9308 30397.6511 35498.7371 44945.4034 72715.4481 43630.7643 50984.9391 32754.5903 20423.8639 2_4-Dihydroxybenzoic acid 40685.0667 35035.5099 28758.0526 18346.7009 42279.7820 33681.9639 24842.8689 23521.2332 28238.7055 18458.0269 21012.5318 29704.5622 37199.4538 29810.1335 28180.2683 17351.7106 19725.9912 31159.3885 42277.9050 7873.6403 13629.2619 16987.6974 32456.9011 30528.5944 16361.8239 19197.8691 18252.2235 2-deoxyglucose-6-phosphate 3330.3823 3735.1651 2426.1938 3488.7552 3581.5370 2205.4776 2-Isopropylmalic acid 3163565.7720 4562168.3440 5187161.0680 1507100.7870 1102056.0940 1408233.4500 2302172.7300 2218972.1420 1966089.9670 1233315.7770 1362279.1130 1621003.4880 4913351.4090 4012230.3490 5188555.0440 1366476.8480 1035694.5210 2755193.2490 2986283.5970 5833790.0230 8682669.2550 2482362.7220 2916318.1230 3261292.5670 4349115.3200 4658702.8710 5315474.2160 2-Ketohexanoic acid 20286.8364 18629.0609 17499.7493 19712.6290 12510.7736 13573.6357 16930.5972 14660.5998 13107.2759 8410.0369 18762.9167 5604.5798 15641.7903 11646.9875 21922.3631 29212.4990 19644.2243 23635.2546 11549.7350 38340.0081 14247.4107 40844.2496 21291.6456 37345.0032 12567.7449 10554.3521 8831.3039 2-Keto-L-gluconate 15446.8812 19508.5058 12298.8900 9171.7771 11883.9826 20186.9066 13176.1156 12707.6574 11286.4670 6189.5818 12936.3506 25485.8780 19650.6173 23141.4217 12187.4458 9253.8773 15865.3162 6401.9355 12663.9439 5423.0240 7738.5229 20020.1136 16945.4731 10026.2472 5919.4094 24002.1052 2-Oxo-4-methylthiobutanoic acid 40025.6160 13984.0739 37913.9191 4755.1764 12998.6401 5615.1888 4339.2265 7244.1077 6832.7269 12300.8371 9537.8263 25953.4930 3070.3901 10621.9125 3888.4412 3087.7563 9784.5679 12239.9763 7724.0884 6604.9164 15538.0582 4656.9879 7970.1637 12096.2415 10730.4049 19918.4387 3-Hydroxy-3-methylglutaryl-CoA 3-Hydroxybutyryl-CoA 3-Methylphenylacetic acid 79460.0319 174606.4937 151286.2352 91300.3111 93795.5155 57280.9496 54850.3141 55569.3370 142774.2134 36979.5450 66971.7412 78396.4964 51613.9505 110818.1833 41478.5361 49201.8817 58161.6868 132996.6741 37632.6505 30547.6093 93615.1695 13283.4890 127284.7211 58338.9902 80495.1561 109873.2553 70707.9432 3-Methylthiopropionic acid 3-Phosphoglyceric acid 7334.9719 6696.3923 9370.4266 2522.3201 1801.8343 7478.7614 8514.9515 1436.0865 7146.1372 5933.1216 2059.6043 5946.6752 4095.3856 2518.1574 17831.4153 2526.0514 9565.9916 11838.1069 10283.9872 5859.9707 1634.7286 5035.3986 4304.8612 9792.8764 4_5-Dihydroorotic acid 575936.7716 403615.4693 355571.2813 303751.7442 493406.0324 240517.7308 233592.2783 701332.6395 521048.4336 311089.3248 318146.5811 175336.0544 389156.1605 370754.2364 478443.2171 407760.7671 294477.2342 509192.7485 212106.8008 406640.9685 511692.1643 319246.7528 373677.0776 348989.1452 385701.5816 454141.6437 236722.4128 4-Hydroxybenzoic acid 1724480.9700 396806.6255 462237.2077 1326796.7240 793818.7764 1475829.2120 637454.3354 623828.4468 607105.5780 237561.7508 237356.4468 177182.5223 283895.6046 183209.6650 349777.3023 273568.1405 1457055.9220 1028055.4130 1651384.8930 256552.7686 459489.1443 365155.4405 534415.8535 914664.5154 273640.3853 146827.0167 1793628.4630 4-Hydroxyphenylpyruvic acid 4153.0861 5318.1361 3181.0473 2296.4978 1730.6878 2717.1557 2208.1198 2300.3916 3056.4880 5521.5486 5695.2568 5310.9458 2914.1532 6744.1731 4299.7518 4-Pyridoxic acid 242462.7330 321063.8884 355514.0073 456906.6196 194738.1512 175081.7465 200777.4856 207641.6164 299811.4205 798330.7674 181396.7916 297492.0448 242117.4177 957602.1195 204731.8839 188377.4056 255836.1415 225438.0327 198153.4660 675620.0193 102210.2966 220060.9262 478820.3663 211752.7106 215038.6729 238246.6847 186172.9667 5-Thymidylic acid 11142.3986 11229.2633 23700.8306 15832.4215 17826.0903 14715.0769 23439.6634 26335.5741 27962.6401 8569.1302 12509.9354 12855.8224 13976.8487 15258.1711 13101.9193 19765.3713 17701.7883 26125.3323 18739.0333 22827.1168 21380.2379 21995.7240 22559.0729 19165.5360 15770.8080 13787.7150 7748.4819 6-Phosphogluconic acid 3106.5880 22682.9914 2449.4000 64766.8888 37529.5517 37454.0491 30619.1095 10736.6154 14729.5945 3403.2299 44008.1957 65920.5043 50688.7656 76642.2587 80009.5834 29501.6223 31331.6184 72024.7741 66502.0693 58163.9656 98901.3141 71284.9682 60299.3659 106557.6507 46363.1383 32616.2231 61660.7667 6-Phosphonoglucono-D-lactone 3527.6690 6633.4306 6500.0967 9477.6068 4458.9185 14482.9578 5411.7443 7113.8672 1905.8355 6828.7404 17439.1940 20854.2694 34505.7987 26427.5826 12344.1135 4014.4237 10781.5426 21981.3706 19151.4739 27670.8372 11454.6849 34727.0226 8714.5297 7462.4162 16141.1306 7615.2949 18000.5690 acetoacetate 595618.8309 963818.6242 1095724.0970 822902.7889 528140.5535 913697.3615 778154.1317 754341.7154 786521.1582 676163.8606 492568.9237 1099790.8900 1007852.2770 459190.2196 659632.8207 556014.3803 772364.4324 736026.8125 563864.3935 691878.9672 765101.0677 608244.4783 866981.5413 1025632.8580 544138.7328 471842.1258 391197.2377 Acetoacetyl-CoA acetyl-CoA 1658.4165 Acetylphosphate 141377.9221 257134.5528 311672.8921 269512.2982 149066.6362 216508.5905 90233.7855 61712.8877 47317.2872 178647.8387 199109.9386 175893.0164 344333.3459 318247.2944 311150.7126 215687.3248 152897.7769 208577.0537 220351.5331 432344.3951 295204.1555 321329.3550 289315.0538 213033.4927 139751.6757 152639.2937 158649.2820 Adenosine phosphosulfate 1853.4298 5438.1292 3462.7506 16579.3424 19745.8030 21600.6534 8810.1037 22770.4195 10375.0816 10587.7047 10588.4605 19895.1835 7301.6517 5297.8859 3403.0958 11119.7622 9571.7696 12806.8322 10020.4179 20090.4389 6167.5124 4728.0987 10843.4499 7370.7638 18075.1406 18843.2852 13191.3675 Adenosine triphosphate 397940.2134 927785.2603 1196864.1850 3895127.0010 2487491.7870 2777519.2070 4297403.6200 4708793.3550 4425588.2240 1250632.2220 1677527.8180 1691651.5280 1807150.7160 2137708.0390 1813823.6100 2240024.6280 1755321.5950 1718960.2410 1993024.3440 2937075.2550 3196699.5610 4759205.7170 5075973.1030 3619837.0800 3625839.3680 3886689.2600 4015701.4390 ADP 165389.9550 1673760.3150 1196470.8970 1275143.9830 1435739.0350 1282249.6420 1250790.4890 1639977.9610 1548340.2420 2272290.8330 2332868.2960 2230172.7970 2411231.3310 1791518.1000 1938085.8570 1499040.9680 1524817.9660 1562452.2120 1774762.8160 1732684.5930 1554464.8020 1241247.6720 582587.2880 1654431.8510 ADP-glucose 4314.6912 2427.5248 2697.2504 3794.4757 2157.8002 2427.5249 Allantoic acid 102980.6152 142085.4947 169401.2773 197173.6335 239402.5156 177003.9800 18118.0363 20871.2222 22265.2892 158679.8969 187732.3439 154239.0654 148772.0199 111762.3203 171403.7799 412686.7781 366497.0346 464070.3840 126956.7246 236465.8480 142607.3226 620203.5856 529017.6892 468967.6523 32211.8874 20720.9415 62227.8732 Allantoin 4706.1524 4092.9851 4207.0604 3385.5846 Alpha-ketoisovaleric acid 193637.2165 227892.7659 334871.8427 805883.0153 823459.0280 1027373.8350 532431.5571 564319.6695 376230.6798 474890.5340 323188.5783 320340.3054 291900.3991 192581.7300 257606.2287 1748085.2380 1115836.3060 1458007.5030 179420.9952 426651.1791 219564.9182 3344188.1640 2797751.3960 2777620.6210 219747.4755 178631.5432 136907.1762 Aminoadipic acid 38000.5811 36857.1561 42852.5643 39646.7309 33556.7643 48461.8442 29315.6322 39459.3267 25497.7139 67207.4203 79025.8531 62602.6269 58696.2552 39048.1064 45281.2112 179173.0493 174366.3057 204983.8734 58152.4097 106738.1164 79734.9544 252025.4165 183664.4861 180726.7704 60970.5255 49343.4423 39905.6699 Ascorbic acid 335827.7356 41522.1897 69809.8534 337622.2625 114041.1705 243281.8211 158188.2452 155433.1585 142164.4878 50547.9092 55110.5803 55063.3082 57431.7102 43591.1385 60069.1777 48937.1561 560978.8901 257787.2206 470781.9058 63809.7212 91440.0496 226629.4354 110219.3435 323153.3558 56372.6188 37282.2552 471322.6566 Butyryl-CoA Carbamoyl phosphate 43846.2683 73841.4174 68139.5588 3332548.1910 2150045.0100 2899474.1510 2087993.1560 1820506.1500 1395458.6090 151389.6113 196375.8533 177187.2780 82294.3172 60127.3964 79860.9377 1346427.6220 1041727.1700 1029653.6510 147378.4252 325309.0010 94773.0629 3525932.4290 3001044.2000 2083540.6250 681087.9667 546027.3754 364821.7832 CDP 4552.2470 5254.0971 12000.1113 8603.6262 6746.6038 6075.5456 7553.3644 13449.0876 9486.3340 10308.6602 1312.6100 5412.3546 4472.2100 1587.2662 5737.9737 17273.5098 17259.8048 23089.1327 17373.1144 7372.9408 10118.0084 18359.7693 6241.8988 CDP-Ethanolamine 2426.5285 1888.0283 3503.2449 1888.0273 2697.2131 2590.5091 Cellobiose 3123.1952 Cholesterol sulfate 631459.0118 430134.7819 663738.9984 1153960.5610 1494551.0060 2170950.3190 842205.2507 853800.3785 745272.7111 356772.2073 374465.5770 333508.0185 399468.5307 414128.3628 595989.9348 357723.0512 964594.8828 1041984.2540 1135952.3720 539493.9421 654405.3343 651275.6819 592455.8462 421585.8532 391035.8053 355060.8025 1302322.9350 Cholic acid 3638.1170 5757.1575 5461.9217 6608.2041 5548.1212 4111.9676 1703.4108 5103.8950 3827.8437 8857.4160 7184.8315 2711.0902 6051.8458 5519.7569 9851.5792 2515.3005 6989.0322 5633.6829 5482.0873 6121.6146 5106.4854 6374.1971 12781.3148 3576.8482 cis-Aconitic acid 173489.5404 206122.8706 219214.5326 2795961.2910 2518410.8080 2139089.7580 1319315.4740 1249747.7900 1619673.9730 241176.9947 340704.2413 272689.5356 666342.3751 462247.5811 743953.6716 1085504.8460 772404.0429 1176433.8510 319987.3847 551046.0927 392881.4238 3350042.2620 1974084.3190 1874658.1170 71124.8779 61204.8944 98093.7559 Citicoline 16149.2962 17501.3275 5329.9019 28716.6947 33727.5534 23156.6910 244100.7181 274111.0418 255206.1004 18731.7408 8571.0484 16907.7767 11838.1254 14066.4305 14341.9445 23577.6688 23830.7677 23136.7486 23300.9321 23502.6219 16880.7195 33298.8136 28481.4711 28973.5122 29116.4775 24815.7389 15816.9939 Citraconic acid 1275199.7530 481652.7233 649251.7674 320385.3877 514503.2806 526936.6015 385449.1863 776693.8774 1106632.7110 553502.8524 407361.0813 425380.5960 417967.2490 760512.5836 469379.7719 399125.2634 452985.9273 940639.9995 309908.7681 288520.0527 724436.5524 496531.9045 767549.6555 316389.1440 715375.9709 524466.3945 428676.5803 Citramalic acid 473629.8864 495159.7647 473749.2493 534479.7599 453698.9886 401522.3207 507450.9643 559804.7451 618451.5368 324110.2575 293250.4681 463474.9821 599821.9403 484726.2914 818156.6295 599981.5126 412480.8102 598743.5150 1145197.4290 2392128.9880 1367551.5100 1062515.9460 522359.6257 574533.4653 1248600.8470 995861.1672 1168245.3240 Citric acid 360204.4482 546964.6789 596021.2454 86022.2046 33596.8012 18836.2975 530368.3944 68441.1293 138024.0926 22596.0239 230146.4965 35196.6911 22458.1540 33180.6300 Coenzyme A Cyclic AMP 18883.4902 64090.7138 87892.4624 27695.4409 25742.4940 31480.9340 74146.7774 57942.0035 71627.1535 38094.2373 37097.4903 34713.8026 39892.6969 35678.0194 28978.7979 1867877.5150 62123.9296 93965.8032 17000.9027 333301.8114 84102.0921 75293.3386 100379.1014 57431.3592 47306.6658 62967.1159 29885.3685 Cyclic-Di-GMP Cytidine triphosphate D-2-Hydroxyglutarate 546757.3613 614123.6628 569313.8692 552001.3521 468088.0819 424157.9974 501414.4200 434056.3797 513292.1023 373096.7297 418993.7586 413615.4953 661553.8378 426881.4069 766847.1943 728513.1116 579024.7436 844638.8288 861760.7049 1678401.8670 930269.7013 1247974.0440 773018.4076 928296.6551 830733.6176 649377.2882 592763.6153 dCDP 15104.5495 18071.4633 15372.9246 23738.9717 23982.2433 22921.8580 62376.9731 74412.6741 68529.5934 12123.0030 15419.7589 10986.1928 11325.5262 12917.2610 17262.3452 19907.9758 16952.5021 22319.0549 42586.3264 37533.4736 46347.8740 25622.3225 28038.4031 22479.1874 45044.0670 36171.2480 38022.1202 dCTP 2153.7824 2427.4367 2691.9605 3773.7129 3925.9612 3771.0250 2967.5352 Deoxyadenosine triphosphate 4855.0518 4465.9771 3511.6620 Deoxycholic acid 4041.4278 6726.0814 3596.1872 4830.5738 1870.6317 2146.3645 2639.1293 3748.3229 6204.6971 4315.5352 2339.0526 4848.7868 1596.7473 4855.0480 4313.3623 4056.4882 2650.3924 2725.0210 2963.8398 5638.0974 3513.8802 1617.6032 6344.2299 1486.2516 4061.4117 1358.9511 3769.3759 Deoxyinosine 1852.9471 2020.7860 3165.3146 Deoxyribose 1-phosphate 70349.3570 103630.9832 85531.1704 310155.4368 267687.6556 286142.7436 400095.3707 378634.1511 413319.9462 37638.4055 45949.1837 36566.3098 71587.2418 63906.9597 87452.7788 220488.4309 193803.8237 179472.6358 203094.4917 321704.8817 172434.9104 525722.1498 492141.0838 322439.6360 343208.7583 237486.7878 177841.4000 Deoxyuridine 37730.1544 35643.2071 38274.0697 37984.0598 23089.9642 34282.5286 37771.0828 28820.5066 26942.7508 27555.0914 34977.2580 46161.7302 35807.1526 42065.5362 44734.2301 42020.5030 44043.1128 34154.3322 51787.2830 34191.5232 36811.2625 29648.7867 27888.3956 31655.2342 37956.0454 11701.5974 33843.3662 Deoxyuridine triphosphate 3183.2768 1954.3284 1795.4422 3293.4451 Dephospho-CoA D-Erythrose 4-phosphate 244506.1563 388525.8642 404330.4420 432622.9553 340481.3478 360504.2254 148168.0852 155735.3386 150724.0649 276815.0455 369274.6588 327265.6027 624868.8363 530924.8598 610738.9186 381593.3689 312652.7776 439053.7349 514313.0343 718074.8149 528979.5131 719606.5190 485467.4880 404612.7743 272218.4889 229305.1026 312964.5317 dGDP 86296.3876 165894.8616 157848.8416 1165365.6550 701088.7576 582624.6485 755826.3500 998437.2770 755770.5134 175530.9507 290579.0899 222190.1611 804270.0068 347596.9645 794150.8128 1011044.8500 291176.4987 635848.0749 946848.6525 1127991.5350 1089813.8050 969364.2514 1236096.7850 942555.5028 1004831.9570 692152.5772 1027980.2410 D-Glyceraldehyde 3-phosphate 311493.9784 428506.6799 469548.2215 161533.3038 156261.6385 126412.2326 186825.0501 192833.7178 179926.6121 333900.5063 338830.7593 418962.5441 579763.5136 424306.4917 514687.9364 342421.7224 415947.4353 385405.1165 673853.1727 787195.2568 677375.9826 268654.6682 356955.5777 388445.3523 670839.3973 551103.5250 477250.2074 dGTP 403417.0176 891515.4636 1181667.9990 4054899.6510 2589889.6600 2673793.9220 4404974.7500 4481621.0990 4289270.1340 1328010.0270 1739555.3180 1739930.5710 1929941.3020 2139015.0830 1860929.5580 2277520.0940 1686035.0090 1727447.6980 2104278.0090 2891524.6890 3213557.2980 5032356.3180 5083736.1180 3681226.2550 3656905.2370 3757008.5910 3950580.5380 Dihydroxyacetone phosphate 200352.0669 314061.5795 339255.6162 139535.5863 122052.5732 91265.2520 156938.2890 182474.5274 154136.1379 221492.9031 225919.1352 369966.9140 436083.7778 310901.5151 388148.7662 275166.9189 305551.3285 288688.4004 484260.8066 656904.6116 521063.2947 222989.1811 286195.5135 288623.5762 528742.1572 445746.5753 410093.6461 dTDP 23449.2851 63500.1240 60275.0193 77614.3924 42062.3611 44077.9501 11905.1552 32930.1732 16906.1580 25700.4560 35977.0143 80598.9144 21112.6456 47477.9170 28952.9590 55904.4136 33020.2716 103455.4207 75244.1476 57486.2156 46783.4748 28215.4935 dUMP 6309.2151 6278.2120 3394.2797 5095.3675 3531.6729 2697.2013 4044.4492 4057.9839 3770.5481 3773.0560 8573.9358 6179.9645 4854.4687 4564.5033 4890.4947 5382.1761 3241.2297 6205.5229 3748.5939 2427.1160 1887.8080 4581.2152 4042.9748 4348.9356 2175.1630 5170.6617 Farnesyl-PP 10412.3366 13504.5524 9980.2137 10464.1679 10001.1137 11519.5911 12550.0747 11441.9819 11971.4784 7325.6172 9901.5810 24198.7678 10950.4889 22343.9485 16284.6885 9579.4915 9942.0694 9260.8018 16677.1819 20994.6505 26197.7202 8224.0173 14140.7013 7516.3511 16144.8810 24510.6376 24109.7352 Flavin Mononucleotide 17519.1438 43565.1948 30777.6222 18249.7074 17996.5056 21038.0412 26305.8491 34935.0583 34971.3128 29279.6551 29348.9340 37738.5747 39415.7404 36032.5460 34917.4737 49860.6187 26912.1453 44311.1636 24140.4167 22744.0660 40430.1981 33433.1533 55544.1816 35931.6834 44557.0300 41057.3807 33193.5569 Fructose 1_6-bisphosphate 4216.4794 13217.1958 24138.8417 15822.8349 17515.4032 24045.2626 18854.4558 10125.0415 7521.0027 6085.5265 23296.5133 60108.3144 40853.1953 41787.4648 39454.6026 3890.9726 7953.2944 9474.4802 13919.1834 7303.8333 22546.9097 27034.5281 7730.5315 17328.4277 25531.9503 19247.7360 21985.8896 Fructose 6-phosphate 325445.1810 616293.3080 721637.4255 635137.3247 519578.7211 502227.3272 215237.7234 221911.2944 207247.1039 460605.1751 539118.4671 443857.6784 809977.7498 796365.7988 932844.6084 635541.5323 449934.5224 746645.7498 806284.3524 1050831.5280 727423.7441 1161535.4630 746872.4348 597954.4018 407108.0061 326772.6642 398723.8816 Fumaric acid 152848.1829 202804.1276 263326.8111 819721.7305 842086.6534 1073674.0400 541069.7854 514923.2641 396546.5113 503562.0169 368579.1239 286327.0809 255180.0214 192491.3747 356736.4045 1855769.3260 1175512.5180 1491707.8870 233753.1527 491548.3612 279448.3315 3492621.9300 2718676.5850 2674439.3030 254969.8815 144782.8255 121390.9329 Geranyl-PP 5577.2864 3439.7648 2324.3576 2746.7792 2328.5543 3664.1068 2527.6236 2420.7372 2662.9874 Glucaric acid 7100.3974 8324.2584 7033.5823 28167.4246 23798.3745 26235.6646 128295.2396 136823.0641 110440.2450 4887.1657 3350.3208 4165.2897 7262.4158 7699.1996 6849.2065 12413.1910 12744.7923 13039.6364 7704.3019 12314.5989 9982.8612 24284.6420 28594.3559 23122.6645 12109.4609 18951.6756 8797.6205 Gluconic acid 227979.5753 566293.7852 286760.5640 200996.2752 194447.3610 309020.8907 190546.7454 225397.3653 144315.3428 212645.1009 282069.4329 423151.7079 573891.0609 518402.5293 481168.6975 262839.0532 374253.1781 338467.9254 353790.4021 459867.0051 618055.2053 401586.3121 403709.1466 346949.5641 306483.5827 223967.5429 332355.1202 Gluconolactone 2615.0650 3501.8370 3783.1333 2347.4755 3981.1790 23365.1502 2410.0637 3496.7585 3171.2921 3619.6344 2630.5315 2261.1780 Glucose 1-phosphate 28764.2268 53784.1550 68703.8161 77519.8293 46928.2978 59854.6624 45681.0386 49514.6811 57033.4327 54205.1165 56229.2676 49378.3396 89431.0513 63954.0357 75034.1211 96338.8119 58926.2193 74437.0474 75655.7985 91476.6174 65472.7062 131649.7992 115810.6818 98278.6060 41852.9583 40345.1885 36874.6316 Glucose 6-phosphate 407601.3684 598075.1048 667409.6476 665882.7640 521971.6334 492311.6655 216686.7769 187042.7545 206843.5515 458153.3759 534610.9913 542745.6329 909592.3281 788277.4236 927426.6294 650435.2865 480360.2287 700613.2785 827194.0348 1137433.9680 796925.9221 1181491.0900 828800.0366 606169.2962 434657.2658 349706.8696 463167.3085 Glutathione 2074629.5940 3094589.0120 3199997.3140 1787581.1470 1052381.9310 1173642.2890 4724053.8700 4489408.8610 4121639.7730 852497.2980 1080664.3080 1116550.4970 5247593.0170 3421972.5830 4154969.7830 2722676.1950 1815252.2820 1833126.6360 3110086.3970 5879702.8130 5975071.8110 3613029.2360 4118317.7230 3513679.3410 2768277.1660 1993482.5410 1525972.7930 Glyceric acid 145477.3592 72349.0507 58457.9360 109836.0549 125820.5012 136784.2498 83176.9175 108641.0099 102833.6618 58055.5922 66046.1843 51121.6531 48608.6754 48019.7364 47324.2763 122089.9301 58268.7679 123611.7056 51918.8418 66822.7248 63065.8642 150314.6326 136383.0766 147625.3993 46338.4016 57007.5439 42770.3978 Glyceric acid 1_3-biphosphate 4003250.0160 2359749.3470 3732716.3820 844040.8375 2204261.1940 1666148.2030 1740420.9510 2392257.3200 2327802.0200 2791098.9220 2056841.9430 3321319.0010 1590859.6060 3479303.6790 1564357.2950 1687268.2900 2251159.3130 2372386.6370 1735606.7130 1684586.1650 2443994.2820 1398998.1120 1705844.7310 814193.4125 2114397.6500 1903275.1220 1140889.2230 Glycerol 3-phosphate 280256.9596 397904.5718 332686.6635 60046.8289 91579.6481 85279.0877 6569337.4060 7333387.6510 6576161.1400 153589.8627 245385.2362 177169.2660 280968.0194 263575.5997 219418.3661 327494.2793 136363.9697 78089.1497 190185.2411 433519.7950 319798.5232 107140.3413 135610.2848 83309.9178 1048445.0010 1224335.4750 825746.2149 Glycolate 10714.4598 12165.6800 3552.5343 2846.4321 3767.0444 5572.8897 2064.8646 2936.5936 4094.2229 11918.2364 3360.0873 2602.8408 9398.5091 8072.3992 4359.0365 4384.1801 4493.3732 9673.8022 6550.8672 6415.5149 2500.5606 9815.9702 1994.2253 Glyoxylic acid 71799.3803 70449.8564 75413.9902 66831.1067 63928.6112 55524.2452 78373.3265 83125.2359 67230.0800 64086.0201 58903.2835 65509.7222 56605.3468 73957.3496 61958.6456 68614.9792 61492.3079 92176.6260 73213.0709 73795.1141 97178.8825 66322.0133 97085.5062 63496.7576 69760.1118 62580.5451 73647.6252 Guanidoacetic acid 5385.5610 5149.8148 6316.0617 5975.7435 14456.4766 1769.6561 5445.0802 10272.9040 13660.1491 4677.9812 4658.2201 2187.2279 5603.1341 2415.7071 2317.3566 12937.0721 22704.3934 14991.7772 8805.9282 8862.7169 7192.8475 20390.0764 18398.8996 25302.3193 3289.1483 3111.0278 Guanosine 3^_5^-bis(diphosphate) 9689.7572 3737.4653 3025.5680 2186.6337 1887.1317 7851.3455 5101.1520 12503.7676 10900.2036 3444.8903 2322.2589 4241.2066 5937.9958 5908.5703 6876.5728 5791.2524 3314.3595 5227.5929 3089.6790 Guanosine diphosphate 3977.2275 2675.6997 13105.8763 1958.8846 6072.1712 11299.7565 Guanosine triphosphate 2231.9507 2193.9187 hexose-phosphate 2369723.5240 4063032.4580 4488803.0190 4275376.5640 3286982.3430 3408610.2830 1690557.7470 1629358.0320 1500371.0790 3055705.1280 3997240.9930 3238065.3700 6201142.9490 5557592.9640 6077765.4320 4173741.6170 2861902.5430 4477144.1040 5024923.1840 7389264.8420 5619620.9220 9221603.9580 5121705.4980 3721004.0180 3085849.3230 2283952.0530 3113264.2700 Hydroxyisocaproic acid 58597.9016 102385.8595 32054.4818 57778.4801 36008.1965 52176.1099 57012.2836 71385.2321 77687.7284 49081.8657 41227.5469 34718.9052 29953.3723 42451.3768 26937.3301 35842.3464 32640.8484 63726.0531 26084.2778 18118.7773 33136.6384 28863.0709 31943.8499 53642.9266 59640.8992 36232.2591 36004.0827 Hypoxanthine 7993949.8880 8425386.2480 13345264.1700 4077919.3540 3011210.3610 4066904.1010 20578102.5400 28508661.6000 24860587.5200 510293.9412 504520.0670 461492.5273 8650013.9400 7313315.1760 15823506.3500 2243976.9870 2189404.7020 2779368.2840 3047985.8450 7051706.2610 14610714.7300 4071597.5040 6012829.0400 4535489.9460 7954497.1100 12816865.5600 8336632.0660 IDP 14297.0002 34807.1036 30452.5331 218096.6977 168712.4286 144449.4227 184672.1953 60335.1710 70795.6998 32779.9192 96970.0831 24724.6848 95454.6520 107393.5152 81676.3740 163034.1979 68898.2374 107656.0334 150717.5003 117961.5859 193948.6849 123190.8896 256821.5434 221879.0145 100663.6764 101810.3657 158447.2001 Indole-3-carboxylic acid 4113.9619 12741.1389 7484.4223 12233.9592 24020.7241 17898.5700 183362.2970 175901.3677 166106.1967 3629.7317 8473.6159 2473.9990 19038.9598 6088.4622 8840.0224 16371.3993 10966.0717 28106.3007 9773.3397 24445.3776 16843.2823 32046.4175 27986.3572 23403.6873 25510.7119 25079.7367 7565.1376 Indoleacrylic acid 161590.9078 53039.8945 87886.4488 32614.6701 60920.2869 28284.6934 42423.0187 56539.8263 69874.1341 52651.5218 53246.9057 104501.4423 72750.0601 87663.3187 69482.9508 40785.1394 79645.0460 136024.3784 67958.2070 78692.0375 73945.8487 56739.2879 56395.1327 59885.9213 87473.1693 88034.9508 48510.0900 Inosine 33665032.1200 42888354.5800 65572492.7300 17809325.0500 13172148.2300 15343671.5400 100943033.5000 109295383.7000 103972622.0000 2283327.8390 2144866.3350 2372917.3570 38893480.0500 34907701.8500 77280884.7400 12204108.5800 8982022.5280 11700384.7800 15645794.3200 30693392.4300 51439692.1900 19928297.7300 21770016.2200 18888070.1100 32364087.0700 44138499.0700 33856949.2100 Isocitric acid 11007.5899 35125.2892 39583.4248 32184.1404 37590.6022 66035.5940 20864.5988 102361.7679 38452.0376 113589.9439 46941.4584 11890.4279 5730.9088 5279.3491 25612.0369 24928.8534 17123.5609 30716.0271 2277.5025 34129.1751 37505.7387 88503.3546 24657.8293 19674.6750 18532.2133 37182.7734 43865.4304 Kynurenic acid 389825.8906 701716.3454 654912.2019 1229625.8940 1310486.0260 1465687.8160 404433.8633 504995.5202 409840.2448 930924.0692 750796.9127 806666.9065 802809.1196 473564.1055 601593.9318 1873532.5270 2285935.4080 3047293.0730 491056.8405 1054502.7420 874490.7854 3997543.0250 3703175.9690 2835084.0900 126609.0993 177960.3084 185949.0979 L-Homocysteic acid 2232.3483 2531.3823 2463.0468 2026.3152 L-Lactic acid 8523488.4430 4220197.3260 5789371.8750 9265369.1250 6933466.5650 11897406.5200 6002819.1360 6349596.9380 5944045.3860 2645980.0200 2962156.6810 3684509.9320 2558896.2160 2625180.9060 4935093.5110 4103535.5640 6701826.7150 5741083.7150 7080958.5830 3037095.1650 3976474.5550 3851435.9230 3449937.3080 3962574.6790 3210966.3130 3685122.5660 12177116.3700 L-Malic acid 1565582.7470 2103636.4780 2409585.5430 8791856.9740 6925795.5080 10223129.6500 5077615.0300 5645955.8480 3778528.1780 4211314.9990 3555624.3690 2978295.9690 2540379.0740 1690317.8260 2962703.0690 18508688.9800 11687356.8200 14327102.1500 2379287.7350 4512903.8300 2093880.7450 33201902.6500 27103180.1400 26295207.3200 2013123.2850 1856726.1410 1275385.6350 Maleic acid 930854.6341 539214.8840 502527.7364 425330.2915 569773.4851 604268.3761 479468.2895 660062.3363 766013.4244 424850.5137 451067.6809 432879.4002 369690.0179 555157.3529 515172.5040 475106.8593 416328.1441 737772.0295 424857.5938 297818.2094 536026.9334 399754.5596 580073.0489 550642.3799 646615.2814 470781.8526 424334.4418 Malonyl-CoA 3074.8729 2857.2039 2421.0798 2390.7413 3340.1930 5901.8382 2394.7701 Methylmalonic acid 2136806.4370 1217739.3750 1899983.9460 1786861.1530 1610290.0800 1363213.7110 911356.7933 993867.0989 989035.6794 1889480.4900 1595257.2040 1986304.9300 1094957.3070 1591399.9300 1205673.8260 2836161.9850 2591654.1610 2653323.2450 945263.0254 1220412.5290 1723881.7020 4024308.8890 3315236.4130 3342639.3910 1021387.1420 981480.0673 579275.4801 myo-Inositol 80757180.6600 80304543.3200 81308703.2500 78691111.1500 89436457.8300 80054324.4100 84587597.4300 92300233.6100 83376063.3400 80540286.0200 97902407.5100 111034498.6000 98030992.3300 108844272.3000 85688172.7200 88535203.9200 94528412.2900 109067051.8000 89086269.6400 83738177.6600 111314193.6000 107805219.1000 105937331.4000 107168778.4000 86078719.0800 82212187.9000 75268420.7900 NA 93839.7734 123866.8828 121528.0641 123219.7013 382054.9865 296063.0484 559120.8516 567765.9415 685398.6239 70073.0590 159242.2192 136456.8064 136173.3436 175154.0683 186438.1470 63764.4367 10410.4049 3920.6255 151610.1629 690605.5084 650843.7190 306398.6674 714570.9043 706735.8616 338397.0033 207500.3107 202127.3061 N-Acetyl-glucosamine 1-phosphate 101801.4531 140331.9755 177576.4677 233134.8560 234269.8012 231849.4203 286012.6119 321476.8818 295950.3960 52112.6365 77810.9229 73749.1091 145624.9766 107778.5218 177317.3033 147417.3876 84999.1784 173548.8659 248725.1757 342491.1106 199194.7410 215541.6133 220756.3889 158283.3889 251791.4482 192785.6253 198803.6560 N-Acetyl-L-alanine 47871.9755 27441.2677 31785.4435 117779.0031 84682.1516 139477.7173 132968.0490 117585.0759 123420.0012 19904.4022 15016.7588 15562.1822 17486.2755 12223.3834 17036.7544 138281.6712 76122.0786 65407.9898 43527.5782 33448.5860 32501.7486 85983.5858 79998.6911 68823.2165 19506.7114 12704.6247 40174.1407 NAD 15331747.9600 15549272.4800 15094883.2700 18400305.7100 17017101.0700 18386046.2500 24444791.7700 26101295.8900 22805754.4400 13377610.7000 14690002.7800 12064465.8700 19561291.5100 18778819.0100 16547115.9500 13411709.1100 17244323.2900 19934577.8100 18840764.4900 19655483.1300 28652677.9300 24813942.1200 25145911.6500 18478120.8400 16258784.5400 15005884.3300 18645100.5600 NADH 619910.3288 503551.9681 637493.5772 523481.9602 379114.3606 502497.2739 954480.2351 1063965.6620 918820.0240 491212.8456 531154.9894 293710.2921 821723.7154 690260.3898 936558.9828 698343.8311 589047.2610 847120.2717 989180.9089 918937.6869 1215106.6960 566222.9607 709854.9760 737141.5970 1156892.9530 845332.7996 796933.1419 NADP 734800.9456 843620.4388 720456.1826 1540586.2040 1021392.1350 1035567.3260 1362339.3530 1144660.6150 1290940.9360 1310710.0660 1646356.2380 1225678.5250 1657159.2370 1508575.6200 1522662.5440 1796024.2880 1619239.7380 1670037.9130 1467491.3220 1713468.9230 1934658.8400 3279475.1300 2717449.8720 1814339.3070 856450.6660 867370.5345 1003677.1030 NADPH 27179.2094 35036.4104 50144.1813 26604.5233 6508.0510 7767.3897 26528.0312 22350.6761 25765.8661 62025.5924 89483.7444 94647.7276 64603.6333 58295.1541 39393.3671 112085.0459 87993.7411 70479.2798 44760.7570 67608.0452 54870.8155 66100.3295 98048.5227 95805.4237 19671.1969 20048.0422 20506.1451 Nicotinic acid 27578.6413 42935.2450 34247.3325 27534.6861 22548.3672 91546.7497 54745.1832 33114.2447 55194.0925 75849.0827 36031.2769 31318.1590 64230.4301 17828.8613 31984.9255 6886.6933 16815.4885 11596.4371 14293.5160 15280.4101 22204.3826 11941.5511 octulose-1_8-bisphosphate 89641.4930 68880.7605 85041.1452 60261.0285 94971.6461 135700.4831 70566.9548 72466.6481 68803.1763 62095.8774 52833.1708 76986.2712 57464.5270 51727.5284 66705.7879 50223.4509 67667.3319 77966.8323 64433.1318 46581.4504 49277.2913 49954.1402 63422.6182 42609.6231 55468.2939 42259.4644 95922.8487 Octulose?8-Phosphate 32718.7625 80555.8969 73395.2907 70530.1839 57089.8723 63731.7332 92176.6038 79371.9678 63582.3869 64609.2181 82450.1611 61835.6130 83795.6324 83231.9956 81999.5149 102674.8647 84396.8944 94566.0817 74218.8614 115606.0011 70704.7940 124571.6701 112612.1144 85443.0752 63677.4514 34111.3282 61344.2351 Orotic acid 1015038.6430 1146756.0350 1442011.9550 73411.9993 82317.3794 85864.6183 89898.1808 121498.4395 107387.7318 319337.1800 417699.5779 447778.3202 1700677.4090 1477814.5010 2170931.1770 131561.1339 131977.6410 480516.6527 1208860.4040 1784688.4700 3041082.5680 155014.1618 142360.6401 106251.0195 178266.2433 113750.1007 460020.5952 Orotidylic acid 315261.1840 192892.8717 224024.1573 102819.7296 114114.3525 146622.9402 169132.2137 210867.6963 67501.9084 195544.5953 188574.1570 180614.5883 178251.3382 183837.6402 86171.0463 221303.3316 179396.9536 152296.9023 152316.7579 110772.3651 127498.8726 173199.5667 168289.8512 162270.0099 124232.3199 68067.0877 130875.3105 Ortho-Hydroxyphenylacetic acid 94710.9744 212538.9266 73631.6162 72239.1261 52361.1746 57362.3762 62490.8254 63128.5364 88389.3340 77011.0716 80690.7924 83849.1513 57549.3232 63506.7147 55391.6007 52491.6436 45194.1072 59915.5638 65788.9446 61074.7414 42290.9079 57044.7533 56026.0451 34646.4125 58619.0805 48763.1338 46517.3403 Oxalacetic acid 22080.7429 9338.4002 20766.2961 5480.3559 58419.5545 29624.0626 46035.8453 8726.8710 13760.2064 11744.2785 20017.3668 13318.7179 17123.0604 22265.3636 2168.8953 10075.5230 10761.8986 2643.4115 6157.6077 6344.6955 5000.0461 5227.3324 16998.1669 14380.0727 8852.3584 Oxidized glutathione 1490301.9200 2677043.4820 2926949.6940 2960020.9140 2602877.1740 2380055.3180 7346155.1080 7747991.9060 8092425.1710 1163240.6800 1608653.6050 1081324.6180 4791316.8580 4645306.0580 6863876.1070 2960325.5750 2445570.7790 3674907.5490 6760062.5800 12410325.6300 7991761.0750 4321299.2020 3814334.8930 3009098.6460 4129306.5000 4273869.4060 4622518.6180 Oxoglutaric acid 60940.8099 158418.5931 204164.0549 311304.7184 189602.5031 296868.8266 107861.0443 187927.5808 207492.2952 309887.6224 12304.8222 229505.7012 42888.6074 91411.0870 130171.2370 245432.4229 139698.8125 120517.8375 69031.0295 183226.2872 169063.4114 208684.0036 157414.7168 109337.4338 90033.3687 201105.0574 51091.9705 p-Aminobenzoic acid 153805.2494 121726.4864 223164.5792 28269.1794 20761.5321 25647.5281 381000.8257 405844.5814 414735.0703 13736.0933 20661.6229 20800.6678 3194.3492 118459.6365 12487.0690 47231.4012 11741.2329 61962.5759 5069.9107 2061.6816 231979.6891 84438.6242 7950.3072 95653.4162 123496.9213 165488.3612 146901.6687 Pantothenic acid 89413.9318 119253.1105 130189.8356 137932.9744 130230.0185 147368.7366 310165.6367 328558.1135 316251.7708 260440.9680 268478.1724 269747.7097 144322.6144 117066.4285 129180.8681 626998.5099 343117.7968 523639.2099 49845.0251 117010.6869 105074.9076 433327.0505 468649.2543 356550.1309 35814.0273 32843.2917 50243.5597 Phenyllactic acid 8751.8083 8052.4313 5093.3492 31131.6797 24860.1315 33397.9607 12775.5192 18381.3450 18841.0281 9375.0647 5604.8548 9317.5518 4829.1931 4070.4721 4856.9309 54415.4832 26444.1675 28164.6573 8260.8277 9282.8220 8537.8464 34118.5779 40525.9187 33084.6591 1921.2855 7273.9851 10508.8085 Phenylpropiolic acid 125318.2675 129609.9477 100616.6755 31408.4494 100717.1985 77346.5154 27574.6597 54542.3637 120040.7264 102531.7741 104887.4362 88719.5179 142167.7810 40760.6234 50895.3801 41162.2309 29029.6938 116032.8798 71105.1693 57304.9524 60765.1580 70191.7350 Phenylpyruvic acid 37842.0595 30181.4262 44633.8206 21089.1758 26454.2588 16770.7040 22210.9835 10264.3990 18505.0149 18387.7717 19009.8211 49081.2058 16382.6732 38679.5066 20320.3278 25849.4940 31056.7712 29755.9078 19027.0506 27031.4346 21038.7235 17643.7108 25627.8385 20592.8395 30913.7044 19622.9244 23119.6046 Phosphoenolpyruvic acid 50307.3580 48628.3869 10391.5971 56353.4846 43987.7217 43823.4011 79266.4491 71075.8165 75311.6186 88758.8446 98732.2585 46211.7775 65191.7528 40075.8253 55898.1848 154505.0495 106821.3709 152476.9206 44810.8766 73307.5393 38535.8805 193249.3441 172522.3755 165036.9767 43570.6079 17516.5275 31115.1321 Phosphoribosyl pyrophosphate Prephenate 3439.3484 4874.8731 6318.4813 3145.6971 3244.4395 4685.8089 2958.3294 3178.6800 2331.9832 Propionyl-CoA Pyroglutamic acid 151225.1464 47426.6872 66681.3599 120811.5776 102581.0765 114476.3463 62494.9602 50233.3950 65385.6397 25525.7938 23661.6558 24861.0007 29089.8602 22644.2389 34460.8119 127656.7733 151102.4586 119480.9681 115168.5682 57284.5836 65416.0333 74288.2721 106858.0607 75858.1424 21458.1010 18460.0296 98235.1169 Pyrophosphate 119303.8165 91769.3703 74724.7511 121782.1752 112929.0558 100466.6558 180615.2959 207665.9376 210537.4249 70004.6886 68499.8393 77847.9775 125176.4979 90657.1916 136168.4790 132827.7430 113791.4963 170081.5005 175002.4863 319541.5419 211799.1129 274897.5230 190621.0572 143502.6065 161862.9501 181228.4173 140671.7802 Pyruvic acid 65888.7876 24636.8950 36912.8963 93701.9434 55324.9167 105322.6986 62778.4592 56949.8156 69289.0184 20703.7000 19942.0166 12379.5376 27564.1751 24480.9280 31665.6278 25557.8390 76403.2170 56593.6510 79811.7370 16870.2955 34791.5960 21757.4748 28757.9482 41088.9956 18716.0206 6431.4718 105042.7614 Quinolinic acid 98842.3207 125161.7152 147599.2414 183805.9657 192837.3577 187361.2690 321488.4287 324363.9114 320591.8906 155847.8400 176487.8795 176373.9115 180575.3029 180083.2116 220159.8196 287772.7520 290968.1154 307892.1136 298636.3702 451732.5355 382678.2222 450175.5055 444926.8678 419569.7322 402553.6141 334363.6238 260503.5366 Ribose 1-phosphate 305902.2990 413107.7100 427834.2297 435617.1286 432569.9833 449908.9255 666732.5561 743092.5556 641110.9395 238335.6073 241255.7575 236046.1164 553443.4558 464894.6675 554051.8919 604457.5733 632147.1496 479188.3934 496713.5484 1016210.5420 683379.8246 836899.1410 829453.7237 683697.8239 556362.0309 554765.5633 389446.7292 (R)-lipoic acid S-Adenosylhomocysteine 2416393.5650 2794011.1780 2858493.1100 438556.3739 373001.0681 500707.5098 551455.1713 627784.5572 442399.8228 462183.0956 615629.1687 444127.5279 2817891.6450 3948727.7810 4535569.4990 1364249.1150 1027648.7550 1816145.2600 3915261.1420 3603797.8980 5821859.4350 1585168.8350 1947051.7930 2079629.7610 898200.3210 1037282.4990 1389769.9830 Sedoheptulose 1_7-bisphosphate 372217.0521 515246.8633 556113.6777 477627.8878 495345.3484 580443.8182 643580.9704 685448.5895 652960.6254 477002.7854 555428.9007 386155.0168 737629.5515 512223.3809 630897.4767 629161.3153 473813.5353 747267.4356 575043.0937 849645.0305 423537.5850 1886203.8580 898579.3113 560186.0279 488814.4665 333459.1627 339818.0162 Shikimate 3-phosphate 87058.0640 213312.9601 248487.5195 91527.9096 203395.2686 146805.8294 220709.5977 107064.8811 158489.8622 179264.0355 591953.4276 549526.2837 555772.9764 617357.8298 593001.9541 58051.6284 24499.1664 10436.0349 76421.7508 541112.7957 446355.2444 490917.0130 489521.6894 365285.5159 222137.5864 72400.0222 279579.7328 Shikimic acid 4491.0386 2387.7790 1939.0286 2161.7813 S-Ribosyl-L-homocysteine 50143.2735 65413.6421 89793.0618 46213.2740 36911.3665 46405.7068 76114.9655 67064.2118 56033.4655 38054.0959 38593.3038 28725.5276 58024.0251 54356.9993 65544.9162 676811.6085 47504.0088 74921.6172 68240.8047 204652.7948 93986.6027 58698.8620 73056.2935 43488.6000 64788.3169 60932.8312 48154.7026 Succinic acid 1894397.4070 1053788.2940 1613137.1370 1539249.9710 1529879.7320 1199179.4020 810476.0162 834408.4091 873466.3306 1534469.3870 1325558.9640 1842479.2680 937670.5304 1359906.3050 999103.2218 2465000.1020 2289849.5110 2377545.2650 785622.6511 1135614.9060 1474177.5490 3423766.9440 2835609.1790 2894939.0560 893581.4618 837469.5182 521924.4161 succinyl-CoA 5281.3052 8663.6076 5841.6564 2102.1123 3525.6676 3073.3619 5297.5224 2571.4840 5781.1081 6786.7768 5998.4418 3154.8497 8528.4151 6194.2434 4763.3991 6677.4996 4168.2066 4756.1631 3349.8513 3315.3941 1956.5924 2505.4981 Sucrose 1236888.2690 4342572.5970 2997718.1260 187320519.7000 147677575.9000 180026750.2000 202544447.5000 183558340.3000 197501317.9000 18319026.4300 18934162.8500 13846857.2000 1463943.9090 1217253.9920 1801624.4100 76143620.7700 78853250.3200 72424375.0800 1407239.3360 2999825.9850 1789973.5890 131182324.1000 128673162.7000 108820174.1000 14916715.4300 15767260.8500 4627662.0510 Taurine 301590.2574 91950.1516 146990.6874 220296.2816 161233.4604 835084.3769 181100.6104 182999.6254 143157.6684 29795.8189 33748.1880 85285.6597 71053.3972 46566.3558 146428.1142 98776.8616 231332.7313 143133.9823 291489.6938 55310.3210 144254.0812 64390.2046 49665.9263 80885.9143 47181.6715 15048.1906 376861.7081 Taurodeoxycholic acid 3217.9783 4018.5526 2694.1592 5393.1875 3764.6501 2427.5248 3236.6975 3523.8950 5130.4548 2964.9325 5663.9845 3510.6524 2963.6098 3501.7426 3236.6970 2968.2354 Thiamine pyrophosphate 509124.4066 117598.5634 71020.6827 146022.2439 182922.6308 207722.6725 135897.0810 108478.5254 231173.9310 404356.0034 241721.8202 277222.8059 653326.3464 253574.1863 232014.0964 141016.1293 Thymidine 31311.7636 50296.1724 34460.5281 9965.1021 7073.8057 758797.0219 891729.5989 669439.5251 26964.7459 38536.8487 23773.7685 34912.7180 34982.1773 21795.3395 32528.8580 14562.2113 13481.7539 27729.2489 46828.6764 33789.3562 17072.8022 17379.6941 11078.6555 128448.4189 113214.2562 86867.7873 Thymidine 5^-triphosphate Trehalose 1187112.5850 4265649.8430 2722971.8800 184551273.2000 160986715.2000 161479310.9000 196203065.7000 192144515.4000 206355515.7000 19250280.5300 19912980.2200 14606858.7500 1629177.2980 1405037.0060 1948281.4890 78741247.7400 78956276.3600 73237239.6600 1450289.9100 2724902.1120 1797830.8050 143168388.7000 140301544.2000 117768193.8000 14872528.3100 16543339.7200 4666271.7440 Trehalose 6-phosphate 63483.1689 79873.8704 90629.5272 144525.9575 126388.5635 109302.3909 119840.5159 172866.7371 130114.7404 150923.6267 178335.5435 101419.1178 106575.4777 90826.1255 88588.2094 127610.6198 67731.5063 121833.5640 74189.1154 104696.0041 85846.8272 221610.3991 152839.7463 123129.7061 99181.3865 80688.6356 75741.6088 Uracil 486537.9200 539005.0141 648573.5827 5347422.6240 4053986.7660 5145560.4650 2462920.7620 2732477.1670 2441623.3440 577482.6341 594510.9661 507031.8708 760587.7961 746007.0138 950305.9124 7029758.3760 5358779.9570 6208831.8290 515446.7782 822274.2112 1376367.8270 11120726.9000 12353737.6400 9549209.8860 65045.9352 119930.3494 237575.1846 Ureidosuccinic acid 24190.2100 31122.5623 60025.3667 5067.5743 3027.5205 5467.9302 7873.5221 1399.7858 4531.3000 27981.2790 35686.8552 38657.1718 79047.4188 46940.0159 76480.7479 14948.4381 12520.5572 26686.3057 37521.7850 56393.6416 53780.8075 15847.9457 10384.2794 7114.4104 5677.9257 7574.6696 Uric acid 731744.3249 203813.4505 233478.0624 601604.8319 318532.4419 584631.1934 382837.9328 372418.4799 394122.4019 77754.3758 78282.8386 86023.9613 85893.1341 102918.3020 101598.7097 118647.3130 516204.9849 447273.8570 709567.7139 105004.8277 251572.2342 112107.6587 143136.2592 215945.9938 83122.6787 49349.6668 645581.1616 Uridine 1177.2773 4032.6997 5652.8737 105010.2416 96116.6305 115337.5214 58927.7859 70411.8113 65056.2935 16903.0270 9760.4167 10060.4359 10505.8158 4051.8126 8764.9667 175002.7265 123266.8075 153136.9986 4483.1798 7127.6443 9370.4330 274149.9593 256663.4201 207084.4431 8548.1744 6967.9671 4270.5620 Uridine 5^-diphosphate 8293.4899 12353.1678 11098.1914 35295.5689 41387.7121 36496.7880 56958.8552 64185.2718 45353.4553 15265.8046 15909.1396 12246.1617 14223.9952 10289.1914 12281.8100 28596.3419 21954.0650 27305.6600 16803.4988 13057.6263 7891.5960 40889.1776 39497.1673 30025.4581 11306.5651 7387.3205 7052.3605 Uridine diphosphate glucose 1388969.1920 1825805.0140 1522754.4100 7635564.9880 5998665.3290 6078033.1910 9288299.6510 9235528.9410 8599831.6850 2093063.2580 2351113.5400 1925576.5830 1850048.1250 1431829.7950 1678406.0920 4001178.8070 3828228.5940 4132602.8420 1976406.6070 2652613.8590 1771587.8920 6516201.5650 5970069.9800 4615652.4090 2136456.0100 1780485.9240 1762794.5900 Uridine diphosphate glucuronic acid Uridine diphosphate-N-acetylglucosamine 982412.8514 1122786.5170 1076069.6540 1726885.9350 1768064.6260 1792431.6080 3823536.8700 4697733.2770 4028301.7110 1026913.7560 1100898.1440 1044572.9500 1142822.6650 893207.8469 1101867.5970 1291636.0160 1221351.2630 1680751.5150 2554954.8210 3145715.5280 2124141.4830 1789428.1880 1679418.0120 1412103.1570 3498306.2940 3315008.0810 2950478.3740 Uridine triphosphate 28031.2412 58555.2460 120754.6993 209947.6099 101827.2067 177380.1274 80641.3104 310718.4673 145772.4564 156068.7227 290412.4465 238750.5722 198410.2531 118428.7016 131138.7191 281525.3510 66168.8629 187746.1733 233332.0378 145481.9246 205404.2271 306672.1815 581546.1308 756472.8348 176174.0165 134585.2712 148739.9047 Vanillylmandelic acid 11993.3231 17501.0907 12812.1269 7376.4023 7407.3843 9431.8677 7518.7597 6977.2362 6302.7074 6416.4750 11787.3199 12043.5507 10986.3003 11437.9213 7277.3708 11450.6935 9898.7171 8200.1461 11066.9932 15600.4882 6564.7316 11474.9790 7194.7304 6855.6885 7230.6416 8752.8420 Xanthine 773522.4525 151787.1537 212480.0105 1061472.3650 853639.3866 1387558.0540 1157201.9050 1262298.2400 1219267.4780 81124.2378 89727.1113 160595.1877 79254.3462 124203.8026 153099.3262 1446504.4120 1026737.4130 915314.9081 323241.0694 241216.2001 469583.1716 946602.5936 1559415.7010 1544149.0960 61211.7607 40428.8726 332978.5765 Xanthosine 210250.2729 245970.5541 386402.9741 179912.9182 152476.3451 171385.1887 736265.2434 823866.9051 782128.2598 86639.2404 95878.6418 75310.1691 238736.0201 214525.6566 375691.6524 686954.7900 511227.9547 641117.8373 101020.7269 182763.5505 319456.4218 643748.4777 737340.7396 636546.7169 124989.1041 167163.2237 98841.4919 Xanthurenic acid 42733.9557 50135.8331 40560.0234 20241.3675 18232.7062 32347.0340 52998.1944 37469.1211 34111.5749 23248.5646 45201.8625 39288.5795 49008.4651 46314.6799 20507.7364 21281.7548 40269.3317 31034.0713 45459.9745 48169.8098 56231.7148 28516.7561 44174.4959 38400.3347 66888.5515 53580.8924 47708.1013 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 13C-Methionine 13C-Serine 13C-taurine 13C-Xanthine 2,3-Diphosphoglyceric acid 2,4-Dihydroxybenzoic acid 2-deoxyglucose-6-phosphate 2-Isopropylmalic acid 2-Ketohexanoic acid 2-Keto-L-gluconate 2-Oxo-4-methylthiobutanoic acid 3-Hydroxy-3-methylglutaryl-CoA 3-Hydroxybutyryl-CoA 3-Methylphenylacetic acid 3-Methylthiopropionic acid 3-Phosphoglyceric acid 4,5-Dihydroorotic acid 4-Hydroxybenzoic acid 4-Hydroxyphenylpyruvic acid 4-Pyridoxic acid 5-Thymidylic acid 6-Phosphogluconic acid 6-Phosphonoglucono-D-lactone acetoacetate Acetoacetyl-CoA acetyl-CoA Acetylphosphate Adenosine phosphosulfate Adenosine triphosphate ADP ADP-glucose Allantoic acid Allantoin Alpha-ketoisovaleric acid Aminoadipic acid Ascorbic acid Butyryl-CoA Carbamoyl phosphate CDP CDP-Ethanolamine Cellobiose Cholesterol sulfate Cholic acid cis-Aconitic acid Citicoline Citraconic acid Citramalic acid Citric acid Coenzyme A Cyclic AMP Cyclic-Di-GMP Cytidine triphosphate D-2-Hydroxyglutarate dCDP dCTP Deoxyadenosine triphosphate Deoxycholic acid Deoxyinosine Deoxyribose 1-phosphate Deoxyuridine Deoxyuridine triphosphate Dephospho-CoA D-Erythrose 4-phosphate dGDP D-Glyceraldehyde 3-phosphate dGTP Dihydroxyacetone phosphate dTDP dUMP Farnesyl-PP Flavin Mononucleotide Fructose 1,6-bisphosphate Fructose 6-phosphate Fumaric acid Geranyl-PP Glucaric acid Gluconic acid Gluconolactone Glucose 1-phosphate Glucose 6-phosphate Glutathione Glyceric acid Glyceric acid 1,3-biphosphate Glycerol 3-phosphate Glycolate Glyoxylic acid Guanidoacetic acid Guanosine 3',5'-bis(diphosphate) Guanosine diphosphate Guanosine triphosphate hexose-phosphate Hydroxyisocaproic acid Hypoxanthine IDP Indole-3-carboxylic acid Indoleacrylic acid Inosine Isocitric acid Kynurenic acid L-Homocysteic acid L-Lactic acid L-Malic acid Maleic acid Malonyl-CoA Methylmalonic acid myo-Inositol NA N-Acetyl-glucosamine 1-phosphate N-Acetyl-L-alanine NAD NADH NADP NADPH Nicotinic acid octulose-1_8-bisphosphate Octulose?8-Phosphate Orotic acid Orotidylic acid Ortho-Hydroxyphenylacetic acid Oxalacetic acid Oxidized glutathione Oxoglutaric acid p-Aminobenzoic acid Pantothenic acid Phenyllactic acid Phenylpropiolic acid Phenylpyruvic acid Phosphoenolpyruvic acid Phosphoribosyl pyrophosphate Prephenate Propionyl-CoA Pyroglutamic acid Pyrophosphate Pyruvic acid Quinolinic acid Ribose 1-phosphate (R)-lipoic acid S-Adenosylhomocysteine Sedoheptulose 1,7-bisphosphate Shikimate 3-phosphate Shikimic acid S-Ribosyl-L-homocysteine Succinic acid succinyl-CoA Sucrose Taurine Taurodeoxycholic acid Thiamine pyrophosphate Thymidine Thymidine 5'-triphosphate Trehalose Trehalose 6-phosphate Uracil Ureidosuccinic acid Uric acid Uridine Uridine 5'-diphosphate Uridine diphosphate glucose Uridine diphosphate glucuronic acid Uridine diphosphate-N-acetylglucosamine Uridine triphosphate Vanillylmandelic acid Xanthine Xanthosine Xanthurenic acid METABOLITES_END #END