#METABOLOMICS WORKBENCH riverup_20230405_193420 DATATRACK_ID:3845 STUDY_ID:ST002541 ANALYSIS_ID:AN004186 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 1) 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 - met6KO_0h_1 Sample Type:0h RAW_FILE_NAME=met6KO_0h_1.wiff SUBJECT_SAMPLE_FACTORS - met6KO_0h_2 Sample Type:0h RAW_FILE_NAME=met6KO_0h_2.wiff SUBJECT_SAMPLE_FACTORS - met6KO_0h_3 Sample Type:0h RAW_FILE_NAME=met6KO_0h_3.wiff SUBJECT_SAMPLE_FACTORS - met6KO_15h_1 Sample Type:15h RAW_FILE_NAME=met6KO_15h_1.wiff SUBJECT_SAMPLE_FACTORS - met6KO_15h_2 Sample Type:15h RAW_FILE_NAME=met6KO_15h_2.wiff SUBJECT_SAMPLE_FACTORS - met6KO_15h_3 Sample Type:15h RAW_FILE_NAME=met6KO_15h_3.wiff SUBJECT_SAMPLE_FACTORS - met6KO_2h_1 Sample Type:2h RAW_FILE_NAME=met6KO_2h_1.wiff SUBJECT_SAMPLE_FACTORS - met6KO_2h_2 Sample Type:2h RAW_FILE_NAME=met6KO_2h_2.wiff SUBJECT_SAMPLE_FACTORS - met6KO_2h_3 Sample Type:2h RAW_FILE_NAME=met6KO_2h_3.wiff SUBJECT_SAMPLE_FACTORS - met6KO_4h_1 Sample Type:4h RAW_FILE_NAME=met6KO_4h_1.wiff SUBJECT_SAMPLE_FACTORS - met6KO_4h_2 Sample Type:4h RAW_FILE_NAME=met6KO_4h_2.wiff SUBJECT_SAMPLE_FACTORS - met6KO_4h_3 Sample Type:4h RAW_FILE_NAME=met6KO_4h_3.wiff SUBJECT_SAMPLE_FACTORS - met6KO_6h_1 Sample Type:6h RAW_FILE_NAME=met6KO_6h_1.wiff SUBJECT_SAMPLE_FACTORS - met6KO_6h_2 Sample Type:6h RAW_FILE_NAME=met6KO_6h_2.wiff SUBJECT_SAMPLE_FACTORS - met6KO_6h_3 Sample Type:6h RAW_FILE_NAME=met6KO_6h_3.wiff #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 MET6KO cells were cultured in SD medium with the supplements of Met and TR:TREATMENT_SUMMARY 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_SUMMARY Low pH polar 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 POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples met6KO_0h_1 met6KO_0h_2 met6KO_0h_3 met6KO_15h_1 met6KO_15h_2 met6KO_15h_3 met6KO_2h_1 met6KO_2h_2 met6KO_2h_3 met6KO_4h_1 met6KO_4h_2 met6KO_4h_3 met6KO_6h_1 met6KO_6h_2 met6KO_6h_3 Factors Sample Type:0h Sample Type:0h Sample Type:0h Sample Type:15h Sample Type:15h Sample Type:15h Sample Type:2h Sample Type:2h Sample Type:2h Sample Type:4h Sample Type:4h Sample Type:4h Sample Type:6h Sample Type:6h Sample Type:6h 13C-Alanine-1 13C-Arginine-1 8217.6638 3168.5500 10322.8665 11415.1079 4431.6277 4814.9774 16726.5874 5632.7042 4497.4041 14974.3943 8982.0850 3431.2020 2012.3118 9882.6390 3148.0270 13C-Aspartate-1 1196.6255 7776.9072 16435.0347 8705.4092 17033.0535 13009.4854 17239.3896 7490.3519 27055.5770 6190.4703 23028.2398 8254.8300 8120.1559 16859.3234 8747.9308 13C-Cystine-1 1521.2358 2762.2583 5910.7358 2226.2541 2649.4369 5288.7380 2413.4279 4440.7933 4126.4383 7457.0156 25164.3584 13922.0007 11204.9648 21723.5776 4736.7494 13C-Glutamic acid-1 9567.4354 10761.3592 24157.0545 23918.5330 23524.1404 8419.9137 9089.1643 21774.6763 36868.9952 13394.3835 11959.2692 12914.6697 10762.4908 12196.8993 22003.6618 13C-Glycine-1 13C-Histidine-1 98663.8956 77968.8973 81518.9693 160933.9168 192038.7926 170124.1692 85289.6681 118886.5056 137901.1601 110720.7161 175309.7753 294164.7121 151628.1848 222354.9946 163115.7145 13C-Iso Leucine-1 13C lysine 2152.6844 2630.9068 13C-Lysine-1 613699.7233 809391.9851 621335.7505 556737.3633 838729.0737 1132690.3270 1176893.6690 1431330.3380 951610.0267 478475.6465 777473.0998 212835.4890 265772.4796 434213.1758 1269860.9620 13C-Methionine-1 375117.9879 359807.3007 485425.4832 438300.9275 436881.6091 395812.6400 405763.0857 366675.5737 493352.9059 342595.9867 351360.5594 438065.4864 341888.3115 338517.9394 457271.8623 13 C phenylalanine 2932.0478 2813.4032 3276.0809 3154.1874 4191.0321 2669.1469 5816.2848 8931.2707 3017.3428 6062.4782 8419.7234 6699.8291 4002.0867 13C-Phenylalanine-1 1174.3588 4448.0194 5367.6799 6955.7142 4224.4059 2031.9415 2615.6721 8090.8004 4446.2959 8344.7766 1421.7175 1246.5866 11197.9804 2587.2353 13C-Proline1 73448.5408 42427.6728 53461.3548 72822.5455 84102.7647 48359.7176 46385.6441 58509.7241 82041.7465 58573.4999 58698.1059 60364.5295 60447.9432 79278.1870 53872.6646 13C-Serine-1 13C-Threonine-1 7257.9007 8842.0604 2590.9614 3861.1155 1602.3693 3716.8983 4610.1995 5318.0019 3106.7748 7104.9093 1617.2807 4364.6584 9089.5695 10771.5025 13C tyrosine 2330870.6080 2096050.7230 3007649.2780 2670988.6120 2888074.3720 2223426.1470 2276440.7150 2347165.7930 3587171.9160 2030429.8260 2192562.8520 2930854.0290 1708711.3530 1367341.3480 2862867.0240 13C-Tyrosine 160766530.8000 139860027.4000 216868714.8000 198987285.7000 206912951.3000 150302623.9000 161503972.5000 156171160.5000 252267639.7000 147963524.3000 147665122.2000 200259906.0000 125354528.4000 100530507.4000 205386411.7000 13C valine-1 13C-Valine-1 4323.2375 2363.8724 1-Methyladenosine 2484638.2360 4401541.7890 4187442.5080 58548072.2700 60679811.2100 46557805.1800 3946162.0010 3855902.1230 6774911.7310 16930900.2100 15898977.1700 13557081.8600 29849751.6100 21437868.7500 4516291.1730 1-Methylhistidine 58665.3360 88716.0089 150554.2696 67683.5046 36753.4561 50231.9982 5808.2878 13855.7549 34427.3391 62864.8757 61948.7696 84587.2452 51854.4819 79973.8683 102211.2561 1-Methylnicotinamide 61369.4318 163968.6353 148829.1857 8028309.0490 7084124.3640 7574598.6530 158374.4939 135426.7711 370990.1593 5050185.7180 5807749.9660 5489744.5720 8609795.0850 10927300.8900 121943.2726 3_5-Diiodothyronine 6183.3190 11567.9926 13627.9456 4087.3777 9003.5936 18926.6963 7876.8656 14565.7513 9018.4120 6200.3807 7052.5903 7879.4049 5659.3195 10763.3542 16641.9500 5-Methoxytryptophan 36869.4067 23703.1149 25306.7858 15104.5414 16483.6591 5436.3761 17950.1795 10031.7479 15997.5654 11945.1484 45992.7517 12282.2301 14047.2664 34660.0132 23340.1529 5-Methyltetrahydrofolic acid 14725.9725 23566.7879 30067.5477 28351.8412 9903.7950 22355.2489 22866.9028 25637.3106 30923.0184 17429.4102 25988.1304 18907.2360 25213.8544 12517.4143 10183.6832 5^-Methylthioadenosine 1020671812.0000 1598160726.0000 1044623842.0000 64190226.4100 66660546.8800 80008537.2900 334794835.3000 224795691.1000 225073117.4000 220198021.8000 330369711.2000 264759629.0000 299726058.8000 299029463.3000 1133395761.0000 5-Thymidylic acid 39705.4801 40345.1160 62585.3629 78050.6334 77867.2740 49092.0011 48989.2188 47815.0457 92389.2683 44334.2880 59625.5933 25287.6578 37803.9086 30242.1487 72327.5918 7-Methylguanosine 22352.7565 26402.7241 27110.4858 763065.4010 772300.0434 584834.2900 60625.1517 71836.2223 99043.7085 973404.5822 914304.6087 680217.6249 1077709.9890 1477608.8410 50972.9958 Acetoacetyl-CoA 4065.5844 4554.5851 3587.7809 2400.0260 3336.0343 8844.6129 10045.3879 5503.8816 7414.4344 9089.0214 5499.0659 2862.7889 5011.8681 7653.9339 Acetyl-CoA 5841993.1680 5284400.6060 4807952.8420 3491278.8540 2694623.8130 3447849.8390 5929647.8730 5649566.0300 5053031.2350 4313608.9860 5800134.6710 6150996.4800 4854255.8980 3561083.7680 4634409.2920 Adenine 64012974.1400 92900288.1000 80360886.3000 10179513.4600 10328506.9500 16121831.2500 25767661.0100 24589226.5200 32675487.9100 19659426.5000 33886809.0100 105668983.7000 22725999.3900 26811501.5800 86536364.2000 Adenosine 35543712.4300 29743601.1000 23951755.3100 23666112.4100 26342317.7000 55017523.1400 22081553.6400 19109177.9500 26099935.2200 31923989.0700 49019836.8900 496858924.2000 53289723.2900 41166235.4200 38355623.5900 Adenosine monophosphate 47521533.0000 81765987.7800 73687010.4100 43087373.5700 36224179.3500 41486575.5200 37508564.0700 33699281.3300 64992883.2900 65964377.1900 91372313.4600 69531916.8700 86877234.6600 82501229.1400 90019517.5800 AICAR 281322.7033 412587.2827 333641.6252 53050.8696 74862.1326 72364.0936 129575.3951 108798.8541 150989.6336 83126.5258 132312.5648 113097.5096 119574.2681 103319.4205 304079.7539 AICA-riboside 220701.0279 472663.4489 313544.4915 370795.7955 348654.1723 257110.5553 132597.3292 158913.6136 276023.5061 411818.0598 421882.1949 299659.7260 542402.3578 659976.3645 473827.8983 Argininosuccinic acid 500569.0756 863439.4470 742782.1191 1414722.8710 1242796.4210 2047732.5950 688127.9397 658451.7310 1335996.3980 1917616.8000 2121253.6990 4015963.9850 2870418.1810 2090039.0240 738426.2452 Asymmetric dimethylarginine 224852.7618 491565.7823 473581.4544 3168511.4820 3023742.1540 2974113.6670 204611.3488 278902.7820 621409.1378 1004382.5510 1266639.2120 1148628.9850 1321877.7190 1344762.7630 336295.6540 Betaine 41355005.8800 54431660.6900 103430682.9000 137805141.6000 202768772.8000 92261437.3900 48757033.6000 58340840.0100 41746853.5700 36455168.2500 96431439.9200 755099863.5000 66046712.6100 43602014.8100 31525979.8700 Betaine aldehyde 244152058.9000 177027005.6000 300817001.9000 317497870.5000 310113540.7000 241625319.1000 208188638.2000 217241835.9000 324799595.5000 229554858.1000 244270163.4000 229692666.3000 186263743.4000 181002595.0000 304167123.9000 Biotin 478225.2695 552346.3661 990883.7334 162573.5067 94633.1668 232564.2431 971305.1218 722120.2400 3050423.2590 1388775.6340 1462091.7380 1535028.3630 1073331.6060 960297.3735 942653.8924 Carnitine 948448.8759 2593021.2600 951548.8077 1874293.5250 1901696.3680 1983636.9990 946584.4217 1317919.1520 1259082.0190 1961167.0920 2809069.1840 9363768.9680 2254549.9360 2412254.6700 997487.5722 Choline 3317150.5670 8296350.8880 2084853.4100 12183953.4600 6458091.2950 9682907.6830 4836491.4040 3654449.3530 4344764.8200 2538602.5020 5380786.7090 42875422.6500 4628607.7780 1753462.4030 1867362.6190 Citrulline 6958796.4260 19435102.9200 19386348.9500 13086693.5300 12374622.9000 10356531.4100 12190124.8700 12412154.2600 32421165.8800 31962653.7600 41439552.7300 41770105.5100 24634712.8300 34456285.5600 27842848.1300 Coenzyme A 211492.0136 55915.3167 100961.6562 123627.1080 150794.8106 97256.3630 180288.3119 100042.5820 251896.0953 248420.5357 307566.0622 246566.1940 192166.7688 63551.6646 47553.5808 Creatine 368093.2092 1533573.7380 492587.2740 1011186.9510 714131.2376 963426.1524 608835.4536 1013698.0040 641124.3499 510481.3737 780361.6044 3366759.1580 587362.6984 484740.9793 581667.0979 Creatinine 375608.9844 1692319.7680 404931.1375 789652.6183 645298.2072 1195122.5370 712550.2096 784232.8963 653854.8255 317390.6941 829007.4337 4740648.7100 610424.1131 482183.3784 537827.9191 Cytidine 721106.9886 2161172.2620 1507619.9200 9147113.6380 8921360.0340 7516574.8630 2464861.8890 2350275.8970 7411388.9270 55415581.8900 69149573.0700 57243120.9100 54595912.5300 61016083.5000 2089722.2450 Cytidine monophosphate 510848.8079 1016480.5360 755971.3982 679204.9794 614696.8980 709805.9319 453548.2847 417115.6724 809456.1066 1650459.0610 1439300.2160 2493263.8500 1637167.7940 1726545.6170 843580.9206 Cytosine 1072944.1780 750030.4170 1123147.9330 730158.1981 1017927.6360 721616.4508 1204583.2880 837431.7861 484458.9229 999072.1394 1510442.2240 1131615.7920 2144625.4470 1212842.9860 560022.7367 dCMP 19080.6027 37003.3735 25211.3941 36684.2692 34664.4563 28262.9266 20521.0395 27008.1067 52449.8246 37546.9896 57144.5012 66689.6715 35778.1059 53425.4391 28989.6869 Deoxyadenosine 734993.4085 942757.6781 1266022.6900 4667080.9260 3855624.4200 4363969.0200 1214027.4320 1177245.6490 2668856.9740 3888140.6040 4625842.9620 5756912.4590 4676083.8530 6807124.7980 1260848.5210 Deoxyadenosine monophosphate 4992080.4870 6829090.6720 6516888.0480 7208019.5160 5197589.1090 4372231.2920 6691471.2370 5030059.7870 6489447.0420 6689264.3390 9282317.5420 4353503.5630 6996586.0160 7785883.7900 3777439.9860 Deoxyguanosine 48338.9948 140301.7998 84318.6274 305684.7766 271780.2006 239470.9724 164738.7036 168342.0210 257745.7617 1023913.7640 934944.6968 904777.1313 615457.0783 765365.3773 111918.6355 Dephospho-CoA 406198.7427 442977.9756 308099.4564 207167.5700 106789.1706 136692.0776 182548.1907 177128.2055 288346.3728 414294.5036 363012.3781 429051.7058 398736.0253 383580.8505 345508.9692 dGMP 27916.6282 16430.9204 32234.5626 49165.9725 32412.6183 16355.3787 19083.8250 34875.0966 31586.8750 60978.7328 18651.3088 39309.5269 42273.6395 51156.5478 28239.0998 Dihydrofolic acid 18409.9182 16792.4248 17930.1318 19174.5317 25570.8941 16432.3338 21894.2830 16901.5915 24090.6106 16435.2844 22901.3150 32100.6714 22256.5428 16707.8559 29566.4765 Dimethylglycine 101159.5362 95550.8156 71254.3111 736625.7380 746070.4415 604296.4442 112172.2109 90791.7581 157642.0257 142953.1286 224871.3550 166658.9512 312518.9481 325801.5117 109433.7388 DL-2-Aminooctanoic acid 3443.8612 23182.6766 4427.3959 44009.1223 31298.8942 39771.2683 6852.8646 37513.8928 9510.8541 11736.5921 23117.2846 109317.7302 21049.8631 21715.0489 9341.5520 DL-O-Phosphoserine 11421.3236 16590.7096 11215.9871 4214.2049 9517.3142 3127.4052 21638.3851 12487.3681 18838.8426 10685.7801 11087.9227 10567.3250 10267.9978 11717.5377 10565.8118 Ethanolamine 41419.8790 93641.9410 57108.7419 1808354.6390 1560356.3860 1214869.2080 41232.5448 112299.3596 111903.1814 132868.5871 260648.0610 703840.8838 421327.1959 423218.2220 82956.9688 FAD 5386346.0730 5033825.7080 4884227.4880 4394867.6160 4536532.6960 3809427.4320 5032046.0370 4386078.9140 5136774.4730 5335007.8680 5183560.6340 5276055.8830 4769155.4160 5006258.4150 4482754.7650 Flavone 56584.1844 96141.9098 138457.5816 99487.1668 120804.4673 77498.9493 139845.2321 110672.8676 89005.7073 102514.7411 108974.8333 117933.5052 177664.7386 177198.3584 79051.0165 Folic acid 106881.5769 182471.1882 180230.6795 155024.8076 153581.0434 126406.2424 121738.6788 196311.8826 198577.7423 98789.1230 139764.5124 200087.9766 86584.1136 154187.8779 187034.1172 Gamma-Aminobutyric acid 26171.9618 35472.4353 36895.9558 407628.2177 310022.4238 290775.8350 43807.3849 59739.5446 47242.2552 112864.7495 243160.8277 502103.9979 247847.5436 275967.3705 41308.8001 Glucosamine 1325098889.0000 1148101199.0000 1194451732.0000 1248343287.0000 1385334641.0000 1258823543.0000 1223483109.0000 1174059697.0000 1309729204.0000 1339037911.0000 1347336187.0000 1281331224.0000 1300514304.0000 1350553540.0000 1238611046.0000 Glucosamine-1P 13209.2744 6567.0751 12796.0674 9824.7801 19283.3078 21431.4908 14025.7255 7707.5028 19885.8906 5364.0921 11994.9764 17861.7090 10925.9942 24369.6102 12065.9896 Glucosamine 6-phosphate 6896.2807 3526.2977 1813.0345 4060.7175 3518.5910 13246.9960 Glutathione 20784616.0300 61724983.5000 33085710.7600 18502580.2400 7739861.4920 12252869.0400 9404215.8160 8794992.5760 24558124.7100 26688272.8700 22694916.3700 24848646.6000 24614823.7200 12015398.7200 51139267.4700 Glycerophosphocholine 54094004.3900 106063759.9000 38401162.9000 30511723.3500 23523329.4200 25667094.5700 22849901.7200 25697218.7400 23534024.7300 27288465.0900 30434726.8900 193676092.6000 32107698.6900 23787536.7600 41059180.8100 Glycine 39244.2165 33776.8871 31571.9719 35879.3460 39225.9698 28247.8907 39102.5256 28702.3023 38939.7004 35452.4511 32281.2724 40422.0953 30138.5374 32766.6511 33261.9552 GMP 1190909.3270 1926881.9600 1564903.5100 708798.8444 838320.3833 834442.4148 710537.7777 789642.5396 1231259.2990 1633402.9690 2135936.4920 2001844.9510 1476708.6340 1466120.9520 1498567.2600 Guanine 1867898.1200 426415.8797 613646.7558 2725479.9460 2923801.8310 2404665.8110 537903.6310 530918.4135 572126.1348 7153970.2320 8348005.1910 5636790.6880 5825308.7940 6290580.2350 468959.0381 Guanosine 91528.2854 125305.2321 100731.1730 1590389.8270 1639084.0580 1521263.0480 116312.1677 130551.3046 251729.1373 4380536.8720 3995018.2450 3762577.4750 3938430.7750 4407056.5610 90152.6114 Homocysteine 4738.5106 11594.3735 20297.8767 80503.0178 62293.2575 12477.3421 19485.9705 71894.0673 125622.3417 200474.7670 320997.7415 142759.7807 230246.7515 19029.2069 Hydroxyproline 1834173.6830 1728707.8110 1576754.6370 1849094.2500 1875349.3550 1803887.1160 1734630.7100 1647637.5130 1794139.0800 1674351.8830 1769419.3350 1664147.6490 1754635.3300 1967650.1220 1591401.7150 Imidazole 83854.5841 70615.8889 87802.6440 166696.1622 118237.1282 3039198.4930 76472.9048 41146.9148 23853.8806 126038.0686 112574.2662 135466.6357 195054.4691 158544.7607 99610.5452 Imidazoleacetic acid 325985.2293 424383.4051 431591.7132 2899150.6390 3060633.0280 2245330.0610 379864.6665 419382.2293 436114.3861 1365486.7750 1864075.1630 1832870.0330 2336152.7800 3514166.2820 564762.4289 IMP 2761991.0060 4594323.5560 4273901.8010 2149373.9380 1973550.5980 2480615.5940 2256154.8810 2116654.0210 4217913.0680 3958933.1980 5115382.4610 4141782.0500 5272955.0370 4549129.8740 5108926.8470 Indole 39480.1519 74340.5101 72957.1332 893443.3281 900879.2205 889721.5660 132185.2835 143199.2753 400063.9467 740908.0804 881547.2784 1129810.5240 918372.1740 1086412.8340 65855.6972 L-Acetylcarnitine 855262.0846 1827609.6660 1758713.6480 4983954.7860 4017264.7000 4363325.0900 1411129.3500 1237820.4620 2595423.3250 3748906.9850 3824554.9350 4436059.9530 4545563.0230 5188903.8060 1976959.5130 L-Alanine 956632.1516 2174848.4560 2868374.6260 29214946.9600 21928348.6900 22258604.6900 960325.0417 1150442.7860 3903602.2890 13389626.8800 22351591.6600 30727769.2700 28299322.0500 27878207.0100 3844375.2330 L-Arginine 35704429.5000 60052457.4800 51520721.7600 314353289.0000 314458466.3000 244366635.3000 70429561.0300 78236499.7000 104736176.2000 215970282.6000 269211854.3000 274956937.4000 279105654.1000 299651481.7000 71508015.1100 L-Asparagine 224844.0830 741084.3831 795897.5207 5227856.1680 4479114.6540 3884746.8680 657592.7449 717256.7211 1893176.4470 3783422.1650 5103226.0300 6701990.6670 4732495.9150 5518298.8960 875650.3435 L-Aspartic acid 944595.0701 3057838.0080 3253083.5870 12750387.0000 13521968.1800 12032240.0200 3944409.3770 3764799.8790 10843048.1300 21000609.3500 26275357.3800 30858452.1700 23874219.0300 25067030.8800 3346322.1730 L-Cystathionine 1920656.9940 3898716.4540 3723901.5620 931190.3949 1001777.6230 925414.0020 847681.7205 764353.4138 1154396.0520 1750451.3390 2064062.2320 1966404.4270 1811584.4240 1814062.2120 3787317.3490 L-Cysteine 10632.9227 3334.8939 5875.5667 8556.7040 6529.6234 5763.7398 8967.0063 7154.9053 13169.5613 6438.3244 8269.8847 6170.9380 10241.2381 11675.7184 8747.2356 L-Cystine 2203.2838 2084.0568 2955.6686 L-Glutamic acid 17430520.0500 56946684.6200 52594282.0100 311868228.9000 292776827.8000 254400701.7000 74904994.2000 73040433.3600 180259604.7000 331025871.2000 403275401.8000 426551659.0000 383273090.3000 435509368.7000 65493311.9300 L-Glutamine 3844414.7240 10507458.4900 15353473.6500 317854105.2000 301189190.4000 267911231.4000 46472214.9600 45062429.6200 138493166.0000 219392252.8000 277275424.5000 273006947.5000 306487212.9000 340741405.9000 18454791.2900 L-Histidine 43645861.1800 80388545.0200 90649000.2500 1087542206.0000 1044870579.0000 940021545.4000 119801451.4000 138738381.0000 257839079.3000 545316651.6000 716332547.3000 672934587.7000 785958064.2000 935186276.8000 164420131.9000 L-Histidinol 133393.6503 121657.3415 100545.0231 53569.7682 100583.6522 69046.6523 105749.2171 117235.8965 156813.7709 108480.3213 221591.2032 155062.5649 137153.8386 154759.0715 280808.5158 L-Homoserine 80533.3414 155321.9047 276030.1466 310574.8862 265426.9216 220251.4212 54410.7044 49678.0650 125856.6843 197836.8176 313468.7032 278300.9337 358714.0333 395086.4386 239776.8547 L-Kynurenine 18800.3178 65848.2518 98629.1059 681546.3451 660352.7495 627771.5555 83612.2460 73468.6174 284061.1644 600596.8716 652913.4280 821520.4760 838968.9251 933088.2799 112789.3436 L-Leucine 4462792.8310 22887513.3900 8145995.9220 352506892.2000 314251582.6000 295842627.6000 14625930.3600 14597239.6500 55039869.6600 89523802.7500 121253084.4000 271314253.7000 187972768.6000 232967807.0000 9763379.1380 L-Lysine 296459.1399 590962.5956 550409.4555 6656584.2690 6247617.2230 5114118.4210 864823.8177 1039581.0490 1240729.7960 4114613.2450 5519631.5750 6361841.5860 5511057.4900 6447175.2830 717319.6311 L-Methionine 29794634.6000 50311725.9400 89319867.1000 1380820.3140 1321176.4750 1491510.5050 404878.8386 518047.2770 470543.0270 578453.2503 797698.7933 7752656.2860 1456181.0740 1002655.6870 111997571.9000 L-Phenylalanine 1338105.2420 8412312.6200 3585449.6180 89126880.4500 75043929.9900 77326931.4700 6274740.3160 6132252.8270 19713785.0400 36280208.2200 53552371.1700 116900631.2000 75726762.0900 81447257.5800 3971980.3170 L-Proline 5582870.1130 14325150.3300 11617836.3300 296254583.8000 280790796.8000 238045883.3000 10858571.9900 13122305.1300 35074727.8800 124477834.6000 158576883.4000 241977530.2000 231683793.4000 178958666.0000 14807968.7600 L-Threonine 1698833.6180 4059408.1110 4872451.9760 46808270.8600 37407059.1700 38228009.3500 3308171.0130 3377492.3780 8720692.1100 18989435.5700 24270588.1500 31075161.9100 31350617.0100 34007310.1600 5027611.6010 L-Tryptophan 248356.3470 621928.1479 540462.8911 8404984.4750 7456993.9380 7728588.9660 1039700.3580 1143336.4270 3152695.7890 7269078.1220 8063522.8070 9159599.0620 7809161.5780 9421504.5760 643061.5937 L-Tyrosine 230571.1140 934922.4146 693082.0197 18124687.7100 15811692.9500 14241915.1100 1725813.9200 1739308.0950 5295238.6500 9641234.4640 11046554.1700 14430897.8400 12945664.7600 12078256.8800 875150.0690 L-Valine 39140.7752 158515.3151 87763.6286 6580029.5670 5514710.7180 5532159.9010 316228.9939 337917.9137 1248155.0330 2972319.0250 3788638.2420 4896559.0250 5016900.2350 5517450.4580 92990.1817 Malonyl-CoA 13038.5822 26650.0451 27621.1030 1674.2542 4105.4222 4685.9332 21533.0372 5360.0409 8131.8250 6672.6247 4764.2306 Methionine sulfoxide 4915192.6210 10254624.4900 25153841.3400 641289.9859 748293.4149 1039996.3630 253992.5025 355718.3623 433258.6020 229759.9806 474842.3966 8135251.9790 560438.2803 694338.8046 11925201.1800 Methylcysteine 210687.0205 830740.3336 630154.5936 16418900.7400 13348945.7500 13729045.8700 1568345.2080 1590359.9000 4668032.4990 8206744.5790 9933953.4800 12373838.0400 11192002.2000 10554090.6200 697390.4280 N6-Acetyl-L-lysine 3101685.4960 9769550.9910 9996323.0230 76103447.3000 72940045.8200 62818362.6300 6933310.0870 6776714.1700 20620878.1000 50071461.5700 54316592.2900 53418600.0300 70974110.4800 61618141.5800 10948552.3700 N-Acetyl-D-glucosamine 82683.9685 144102.9382 135685.3512 268918.4028 294227.1274 265450.1649 131232.8530 102067.6674 211623.3700 308665.0856 334243.6070 314902.1064 365630.2773 444425.6316 137720.4981 N-Acetylglutamic acid 1393372.7240 2650341.3090 2493157.0640 3227508.5450 2452157.7020 2161066.7180 1034025.5950 1152774.0280 2007512.2660 2390361.5370 3199204.0890 2619435.8460 3143353.5720 3329359.2050 3402935.2600 N-Acetylglutamine 2163728.5550 5081285.5250 4947273.4280 14393488.0100 13535805.3100 15422826.3900 4628651.8150 4313267.3870 9369215.4540 8068053.8530 9257510.5030 11368212.5000 12228973.6900 13583934.0000 4793218.3940 N-Acetylornithine 2462632.8470 7244160.0890 6864879.4240 18087403.6300 14046476.3100 13966923.9100 3838965.5800 3489725.5530 9192083.4280 10545264.8100 13879321.4100 11601719.0700 12292791.1800 13293483.0300 7995969.9700 N-Acetylputrescine 161119.7421 931319.6233 1165350.9510 26071616.9400 25417351.8800 24635516.0100 549132.6037 915417.6710 1691432.0110 3912082.5250 8675576.6820 7477254.3320 5649224.2560 8091068.8760 1290675.5060 NAD 110819351.2000 119416586.6000 116312467.3000 162881238.5000 126126621.1000 119144908.9000 121779146.5000 115454851.7000 116472524.2000 143782990.2000 185571050.1000 143188067.6000 157168496.8000 158058243.7000 94986592.8300 NADH 18948080.9600 26108427.7500 24830051.6600 12260269.7300 11043328.6600 12924583.7000 14699199.4400 15241036.1200 26439671.3000 21751102.5000 23586540.5600 36276874.4800 32348573.4000 26813676.9900 26867422.2600 NADP 3070011.6330 4593596.6980 3082015.5840 3883336.3750 3535544.1320 2514129.3210 4397261.8120 4283383.1530 4962275.9580 4256898.9620 5699285.7340 4729796.2250 2888427.4260 2975643.7410 2633293.9340 NADPH 359103.5535 925606.7603 805290.3344 624933.2379 646413.1928 617608.2384 933747.2508 1042230.8180 2158032.2520 1503594.3720 2007484.7620 2322405.3940 1365133.1840 1531379.9670 628228.2294 N-Alpha-acetyllysine 2381179.7140 7398618.5620 7627138.7640 56326511.9500 54222954.8000 51415361.3100 5766832.6480 5592453.1500 15582383.1400 40567983.7300 40115378.8900 43027544.7500 50048613.1800 46841278.5000 9307786.3990 Niacinamide 1458796.8150 2490459.7750 1284490.3550 2983430.4480 3066946.7110 3907686.7440 2210428.7980 1671272.9100 1283279.4990 3652095.5420 5336531.4090 4213284.9320 8128384.2440 9636665.3330 1294767.6880 Nicotinamide ribotide 1402468.4590 2173632.2210 1580946.9740 4648029.9870 4788888.6440 4747577.0440 1477441.1300 1461436.1030 2525991.8900 4145444.4470 5982555.7480 5562759.5850 5230876.2060 5783875.1920 1996679.5700 O-Acetylserine 47428.2884 42606.8132 14703.8588 22990.9201 49032.1828 51307.3124 51547.3524 25597.8229 23825.2462 19260.9192 38529.8220 64201.9357 82364.0467 79248.4583 16480.3379 Ornithine 3148453.2360 5494366.4030 4180290.4710 47542625.9900 43754909.6400 36597546.7900 5560072.5350 6469784.2850 9153524.1810 17715748.7800 24896686.3400 24668707.2800 26709518.4400 27317727.3000 5831203.6240 Oxidized glutathione 5659249.6540 10310555.4400 11866426.0000 8228158.1840 9230999.2900 7175379.1650 4801686.9100 4660298.5750 7623701.3650 9028994.7800 12661591.3900 14385878.2100 9572088.5520 14462245.5300 8703903.6480 Phosphorylcholine 93814.0215 356305.6606 160466.4583 327168.0022 323950.3254 451366.5503 144586.3440 130981.0187 156172.7136 207826.9483 358645.5563 3797713.0470 573221.6277 438815.8969 249857.5806 Pipecolic acid 20119500.3600 56676294.8300 71480926.4700 821937982.7000 783638841.0000 697234262.0000 131411039.9000 131976702.4000 389295864.1000 633518274.1000 820119581.6000 754153338.9000 861611605.1000 912475515.6000 81915795.0800 Propionyl-CoA 118965.7204 103911.5700 94331.8650 65505.7479 48161.4643 47944.7406 38990.7986 35051.0715 42959.9807 44030.4025 45496.7221 37262.3186 68779.8004 51100.2249 119962.7375 Purine 70245.1837 194818.2319 84285.1655 1748107.5420 1590414.7350 1486375.3510 163063.3367 97494.1632 427195.3752 936155.9332 1165687.5440 2539279.7780 1626945.6090 1750412.2580 118157.3091 Putrescine 1492556.8760 1417420.9770 1322363.4710 354854.9730 458843.5017 339774.0743 1225729.0130 746659.5518 1124848.3170 888338.7791 892416.6620 734403.4772 303552.8641 756427.5667 339785.3392 Pyridoxamine 9876.1309 21573.5385 31890.5744 22664.8011 21534.9866 77276.7030 9948.0490 49533.4035 22952.2693 10513.4165 29474.5778 65149.8466 21611.0788 46796.4529 56676.5027 Pyridoxine 851750.8106 376288.9577 373889.4098 513473.9572 737227.5326 763257.0173 158507.1085 136505.3534 230581.2341 166790.1716 405247.7630 1448154.1790 393364.6788 744083.4131 425372.7851 Riboflavin 406044.0692 422369.0555 415816.9728 496365.9577 345810.6843 369976.8340 486117.0655 403367.1704 525966.2163 720059.3533 662234.5814 986634.8557 618249.0086 807656.0669 366079.1707 S-Adenosylhomocysteine 4636747.7850 9382751.2700 7915924.3730 6655172.6410 4593839.6480 5428169.3820 2547344.2640 2378539.8350 4035734.8570 7708906.0060 8486688.5950 8201557.2940 10435483.0400 10337369.5200 8217478.0260 S-Adenosylmethioninamine 476591.0577 2067407.0060 2867596.5290 600019.9145 548993.5502 577945.9105 411929.4680 514681.9078 846212.7381 1714274.8300 2006539.5680 3884126.7100 1183561.0490 1364747.7160 2128957.5930 S-Adenosylmethionine 200195119.7000 277297444.6000 201181277.4000 26242643.8300 24343509.5500 24272033.6800 75568066.1000 78496298.6700 118618720.0000 68749345.4500 100048294.2000 76064554.2400 60955671.1300 59576116.1500 253650964.8000 Sarcosine 152733.1016 381487.7890 461166.0899 3615183.7120 2584365.1360 2607115.6060 210336.8651 219708.9399 483284.1665 1573180.0230 2613424.3980 3362165.2360 3179622.1510 2910921.0520 550014.6450 Serine 952224.6015 1996194.3620 1841603.7300 6271578.1870 6849542.5450 6528440.3170 2015972.9630 2200246.2150 4465453.7470 5012648.5010 7381877.6380 11567343.1500 7349741.4070 8830275.9000 1971074.0220 Spermidine Spermine S-Ribosyl-L-homocysteine 6923.0111 5409.0630 10141.4798 10173.8670 3998.0388 15873.0066 16611.9560 14191.8119 59945.3738 6745.3747 14899.5912 5695.2898 11901.3928 9842.3251 5550.7454 Succinyl-CoA Thiamine 109627471.0000 290622363.5000 297886868.4000 257388299.2000 194427995.4000 210863946.3000 132367781.2000 151953539.6000 284536197.3000 221581483.7000 314853404.6000 343723593.8000 215473686.8000 240937323.4000 253229085.5000 Thiamine monophosphate 120767.0241 138024.3360 98013.1716 207077.0941 172546.7207 168711.8434 172089.9264 171209.4925 190769.5855 192640.2213 339712.4634 222391.1370 218490.9679 220161.1894 115632.9792 Thymine 84054.9913 72622.8501 59727.8294 63315.0518 126680.5531 141347.1010 96417.7656 51867.2322 40854.2280 74655.2409 100337.5674 94351.4492 158256.6446 165394.4837 119069.3283 Urea 940986.3436 769611.7903 842261.4398 1004964.9740 859400.0124 808811.8004 718109.7533 899621.9125 863348.7546 880729.1284 887198.6118 630411.5278 635595.5685 681972.1500 793087.2237 Ureidosuccinic acid 94218.3027 184902.0286 150707.3270 83566.0631 88094.3025 89547.8614 82499.1546 78141.7022 138055.2148 193385.0488 209481.0045 379997.1000 193631.4599 172961.6663 197283.8776 Uridine 5^-monophosphate 400678.5427 620631.7081 596430.0677 865295.4697 894578.1021 1004187.7710 277313.3962 289134.6805 461228.6746 764355.6263 977952.5040 1023207.1270 1030153.2740 1166662.0530 565322.4829 Xanthylic acid 3912.9927 8860.9132 9821.8410 5979.6261 3375.6849 2134.0517 692.1959 644.5224 2301.6010 4215.4984 2037.0714 2633.9885 5022.3775 4066.1183 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-Alanine-1 13C-Arginine-1 13C-Aspartate-1 13C-Cystine-1 13C-Glutamic acid-1 13C-Glycine-1 13C-Histidine-1 13C-Iso Leucine-1 13C lysine 13C-Lysine-1 13C-Methionine-1 13 C phenylalanine 13C-Phenylalanine-1 13C-Proline1 13C-Serine-1 13C-Threonine-1 13C tyrosine 13C-Tyrosine 13C valine-1 13C-Valine-1 1-Methyladenosine 1-Methylhistidine 1-Methylnicotinamide 3,5-Diiodothyronine 5-Methoxytryptophan 5-Methyltetrahydrofolic acid 5'-Methylthioadenosine 5-Thymidylic acid 7-Methylguanosine Acetoacetyl-CoA Acetyl-CoA Adenine Adenosine Adenosine monophosphate AICAR AICA-riboside Argininosuccinic acid Asymmetric dimethylarginine Betaine Betaine aldehyde Biotin Carnitine Choline Citrulline Coenzyme A Creatine Creatinine Cytidine Cytidine monophosphate Cytosine dCMP Deoxyadenosine Deoxyadenosine monophosphate Deoxyguanosine Dephospho-CoA dGMP Dihydrofolic acid Dimethylglycine DL-2-Aminooctanoic acid DL-O-Phosphoserine Ethanolamine FAD Flavone Folic acid Gamma-Aminobutyric acid Glucosamine Glucosamine-1P Glucosamine 6-phosphate Glutathione Glycerophosphocholine Glycine GMP Guanine Guanosine Homocysteine Hydroxyproline Imidazole Imidazoleacetic acid IMP Indole L-Acetylcarnitine L-Alanine L-Arginine L-Asparagine L-Aspartic acid L-Cystathionine L-Cysteine L-Cystine L-Glutamic acid L-Glutamine L-Histidine L-Histidinol L-Homoserine L-Kynurenine L-Leucine L-Lysine L-Methionine L-Phenylalanine L-Proline L-Threonine L-Tryptophan L-Tyrosine L-Valine Malonyl-CoA Methionine sulfoxide Methylcysteine N6-Acetyl-L-lysine N-Acetyl-D-glucosamine N-Acetylglutamic acid N-Acetylglutamine N-Acetylornithine N-Acetylputrescine NAD NADH NADP NADPH N-Alpha-acetyllysine Niacinamide Nicotinamide ribotide O-Acetylserine Ornithine Oxidized glutathione Phosphorylcholine Pipecolic acid Propionyl-CoA Purine Putrescine Pyridoxamine Pyridoxine Riboflavin S-Adenosylhomocysteine S-Adenosylmethioninamine S-Adenosylmethionine Sarcosine Serine Spermidine Spermine S-Ribosyl-L-homocysteine Succinyl-CoA Thiamine Thiamine monophosphate Thymine Urea Ureidosuccinic acid Uridine 5'-monophosphate Xanthylic acid METABOLITES_END #END