#METABOLOMICS WORKBENCH araskind_20150413_9481731_mwtab.txt DATATRACK_ID:232 STUDY_ID:ST000157 ANALYSIS_ID:AN000448 PROJECT_ID:PR000223 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Leukemia stem cells studies_dup PR:PROJECT_TYPE Glycolysis/TCA/Nucleotide analysis (tissue/cells) PR:PROJECT_SUMMARY Define the function of AMPK metabolic sensor in leukemia stem cells PR:INSTITUTE Baylor College of Medicine PR:DEPARTMENT Molecular and Human genetics PR:LABORATORY Nakada Lab PR:LAST_NAME Nakada PR:FIRST_NAME Daisuke PR:ADDRESS Houston, TX PR:EMAIL nakada@bcm.edu PR:PHONE 713-798-1175 #STUDY ST:STUDY_TITLE 13C mass isotopomer analysis (LCMS flux studies) MLL-AF9 (part II) ST:STUDY_TYPE timecourse ST:STUDY_SUMMARY How cancer cells adapt to metabolically adverse conditions in patients and ST:STUDY_SUMMARY to proliferate is a fundamental question in cancer biology. Here we show that ST:STUDY_SUMMARY protein kinase (AMPK), a metabolic checkpoint kinase, confers metabolic stress ST:STUDY_SUMMARY to leukemia-initiating cells (LICs) and promotes leukemogenesis. Upon dietary ST:STUDY_SUMMARY MLL-AF9-induced murine acute myeloid leukemia (AML) activated AMPK and ST:STUDY_SUMMARY leukemogenic potential. AMPK deletion significantly delayed leukemogenesis and ST:STUDY_SUMMARY LICs by reducing the expression of glucose transporter 1 (Glut1), compromising ST:STUDY_SUMMARY flux, and increasing oxidative stress and DNA damage. LICs were particularly ST:STUDY_SUMMARY on AMPK to suppress oxidative stress in the hypoglycemic bone marrow ST:STUDY_SUMMARY Strikingly, AMPK inhibition synergized with physiological metabolic stress ST:STUDY_SUMMARY by dietary restriction and profoundly suppressed leukemogenesis. Our results ST:STUDY_SUMMARY that AMPK protects LICs from metabolic stress and that combining AMPK ST:STUDY_SUMMARY with physiological metabolic stress potently suppresses AML by inducing ST:STUDY_SUMMARY stress and DNA damage. ST:INSTITUTE University of Michigan ST:DEPARTMENT Molecular and Human genetics (Baylor College of Medicine) ST:LABORATORY Nakada Lab ST:LAST_NAME Saitoh ST:FIRST_NAME Yusuke ST:ADDRESS Houston, TX ST:EMAIL araskind@med.umich.edu ST:PHONE 713-798-1175 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 18 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:SPECIES_GROUP Mammal #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - S00016994 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00016996 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00016998 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017000 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00016990 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:2 SUBJECT_SAMPLE_FACTORS - S00016992 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:2 SUBJECT_SAMPLE_FACTORS - S00016995 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00016997 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00016999 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017001 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00016991 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:2 SUBJECT_SAMPLE_FACTORS - S00016993 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:2 SUBJECT_SAMPLE_FACTORS - S00017002 Cell type:AMPKαΔ/Δ | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017004 Cell type:AMPKαΔ/Δ | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017006 Cell type:AMPKαΔ/Δ | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017003 Cell type:AMPKαΔ/Δ | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017005 Cell type:AMPKαΔ/Δ | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 SUBJECT_SAMPLE_FACTORS - S00017007 Cell type:AMPKαΔ/Δ | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cells #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) CH:METHODS_ID AQM020 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm.m #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm.m AN:PROCESSING_PARAMETERS_FILE EX00388-Flux-Quant-method.m #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00016994 S00016996 S00016998 S00017000 S00016990 S00016992 S00016995 S00016997 S00016999 S00017001 S00016991 S00016993 S00017002 S00017004 S00017006 S00017003 S00017005 S00017007 Factors Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:2 Cell type:AMPKαfl/fl | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:2 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:2 Cell type:AMPKαfl/fl | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:2 Cell type:AMPKαΔ/Δ | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαΔ/Δ | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαΔ/Δ | Labeling time, min:5 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαΔ/Δ | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαΔ/Δ | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 Cell type:AMPKαΔ/Δ | Labeling time, min:60 | 1,2-13C2-labeled glucose concentration, g/L:0.2 2 or 3-phosphoglycerate_13C_1 2 or 3-phosphoglycerate_13C_2 2 or 3-phosphoglycerate_13C_3 2 or 3-phosphoglycerate_2PG/3PG 3-Glycerophosphate 14154.9311 27575.7651 17401.3615 33244.6191 29910.9100 33964.5631 10635.5318 21332.3564 21001.4903 35625.2173 18155.0532 19168.7474 13011.1844 1412.0266 9409.6909 8566.4989 19593.0647 3-Glycerophosphate_13C_1 862.0327 946.1714 124.9168 3-Glycerophosphate_13C_2 878.7747 1570.0786 2000.3578 3-Glycerophosphate_13C_3 145.8938 30.1568 3-phosphoglyceraldehyde 11027.8577 11384.6588 4866.4870 9851.9257 14916.0169 16471.3273 2385.8783 4677.3701 5472.5354 2977.9541 9573.4789 7400.7231 3890.7179 4746.9459 620.3324 236.9122 1070.5953 3-phosphoglyceraldehyde_13C_1 167.2035 1871.7563 3-phosphoglyceraldehyde_13C_2 9789.6404 23607.7093 10540.8094 17858.9312 27840.7409 29815.9478 1502.9278 16007.4629 10734.3177 22099.0096 11875.0093 20931.1652 8428.6531 629.5321 5210.6443 5193.4821 216.8459 15828.5422 3-phosphoglyceraldehyde_13C_3 6-Phosphogluconate 4788.5518 11134.9240 5375.3269 9484.5863 12693.0572 11707.6491 5530.7988 3730.7920 7081.5800 5349.8055 8270.1870 7487.1428 10278.3206 5050.0622 3560.5464 6163.2852 2818.4881 2957.0185 6-Phosphogluconate_13C_1 31.0003 2209.7918 1121.4582 6-Phosphogluconate_13C_2 247.3173 277.9441 6-Phosphogluconate_13C_3 6-Phosphogluconate_13C_4 6-Phosphogluconate_13C_5 6-Phosphogluconate_13C_6 Acetyl-CoA 918.8557 14683.3364 2057.0688 2700.9701 939.9282 3973.3172 545.1986 11463.3842 5025.0571 8287.1633 341.5763 9009.3226 2040.7003 488.7270 Acetyl-CoA_13C_1 2366.8237 Acetyl-CoA_13C_2 255.9748 446.3249 Adenosine diphosphate 461022.2078 1280273.0830 588902.4059 315730.2062 447083.5452 667388.8745 235342.3012 558168.4606 358839.4721 467006.7407 391028.6556 705755.0896 392273.7552 39575.3329 31256.0033 266095.0949 18827.5403 32336.6645 Adenosine diphosphate_13C_1 17520.7775 30901.6940 22199.4592 3476.7893 11366.4507 27914.4281 34614.0748 125812.6245 60291.8593 56896.7681 58920.3280 141510.1072 17429.8217 1093.9851 86.0925 60596.3285 24.2871 1566.3226 Adenosine diphosphate_13C_2 5183.6793 13957.3172 5506.3286 1580.1918 14350.6432 23630.0203 10939.9257 37270.8825 17454.5664 33113.6894 56057.0594 115674.4416 4064.4195 12494.6434 2.4170 Adenosine diphosphate_13C_3 6498.5464 14243.8921 8848.9219 1124.9353 6347.6118 13709.6002 10600.4723 38200.4777 17683.5651 21644.1109 34325.0180 87506.3122 4139.1548 260.0118 146.9064 16135.3648 201.2928 Adenosine diphosphate_13C_4 2326.1525 3086.9185 1210.1576 309.8732 6117.0847 14617.2462 4712.9738 13661.1870 4772.7198 13710.6428 33539.4310 72479.6974 3784.2679 Adenosine diphosphate_13C_5 653.6958 413.7577 1877.7130 7184.5145 Adenosine monophosphate 2248675.5930 4099825.1980 2333329.7760 2410030.3450 3070760.0040 3331508.1940 1473556.2990 1407167.2300 1655609.0420 1561249.3150 1853846.9200 1975266.2290 2501981.6340 83087.0585 913760.3849 1323435.4330 22358.5834 686982.4182 Adenosine monophosphate_13C_1 73789.3448 110804.7525 90207.2062 26491.4665 59218.5417 129798.0154 286541.8196 322159.1740 289685.5017 198986.0387 308063.1917 395238.6779 117318.7437 6357.4458 13905.2608 378131.5209 1519.0444 64093.2481 Adenosine monophosphate_13C_2 24793.4224 37092.0797 26168.5938 15454.8561 104256.4596 130989.0379 91292.9214 96405.9796 93471.3071 113424.9417 271973.6447 314100.2372 21590.1624 412.3256 7841.7803 98248.8289 44181.2472 Adenosine monophosphate_13C_3 24767.6321 48562.7319 31635.0910 11372.8012 49213.2011 77062.4756 79192.4102 98130.9655 89516.5953 68755.8080 181636.9968 229137.2065 33695.9706 1095.1299 5956.4279 106345.3193 20435.3275 Adenosine monophosphate_13C_4 8679.0291 11726.5849 6705.0989 4924.0069 52544.7259 78533.5957 33346.6478 37133.7691 31510.9702 51115.2775 183860.6750 206001.6193 2427.9183 900.4970 29059.4085 16267.2640 Adenosine monophosphate_13C_5 992.6380 111.0876 1873.1267 3129.2343 1537.9234 2282.1604 2841.8413 4662.3815 17783.2587 21381.2273 1505.6932 1387.8365 Adenosine triphosphate 86316.3284 258090.3708 111826.1824 45522.5791 55977.6715 106249.0998 43987.5682 166447.4945 66199.4756 118722.3551 63333.2728 205909.1384 61673.0642 10045.0137 5263.3639 56636.9238 3897.9244 4119.4417 Adenosine triphosphate_13C_1 1943.6143 7186.7947 5458.6503 2660.7874 6524.3590 35631.9583 8789.1751 11007.1165 8306.4293 36368.7381 590.8055 9404.7176 Adenosine triphosphate_13C_2 477.7153 1648.5914 793.2826 185.0801 3605.6671 8452.2612 2227.4139 8659.1066 6699.9695 29778.4273 Adenosine triphosphate_13C_3 197.1683 1616.2761 1138.8807 45.9180 1144.1629 9668.5238 1738.9289 3843.3630 5012.3759 22039.2000 211.7680 1532.4973 Adenosine triphosphate_13C_4 620.0706 365.3176 2559.9403 221.3951 3322.1464 5092.5983 20407.0095 155.8773 Adenosine triphosphate_13C_5 2833.7254 Aspartate 1611565.8290 3253383.0480 2203329.4550 1912788.0110 1280418.9450 1545560.8150 2454428.3200 3264418.2650 3024015.0340 2920325.9330 1260106.2700 1341954.8950 3274991.7720 215341.7758 1019230.8720 2540352.5720 76549.7910 1395172.1990 Aspartate_13C_1 15015.1534 2162.9002 20648.0691 10553.2548 4417.9830 7068.9397 51042.9810 99130.1210 93000.3053 84035.0595 18808.9630 21984.8261 8689.6282 38074.7169 17378.4981 Aspartate_13C_2 41177.2747 59515.9549 44790.0740 23009.0049 32477.3521 36553.1501 148612.9464 219446.7563 205266.2402 187015.2611 87140.9804 101344.6491 25350.8172 1346.8835 9214.0133 113561.8709 65894.7168 Aspartate_13C_3 1410.9839 385.9646 65.8798 5826.7466 17149.0456 13637.1010 17796.5375 10068.5537 7681.8764 4656.1739 713.7637 Aspartate_13C_4 Citrate or Isocitrate 296544.8622 301933.7396 322236.1042 217503.5832 178007.9197 176967.0960 281040.0589 198039.3179 284486.7044 172262.5830 165868.7957 118817.1286 181465.7687 359202.4994 95215.4164 287429.2663 246517.6160 105449.8467 Citrate or Isocitrate_13C_1 6299.2484 1308.6906 4195.5849 6927.7422 8523.4880 3987.2426 2060.0351 3334.7479 347.9954 5699.2393 Citrate or Isocitrate_13C_2 28867.6487 35829.0891 39143.2601 9764.5813 13452.1275 16097.5445 21140.5099 25523.0964 24927.4622 17827.2410 30108.2452 18426.0069 4705.3556 5557.3872 397.5789 11004.6545 940.2486 1760.9237 Citrate or Isocitrate_13C_3 198.4806 1681.2176 1416.0372 111.4963 724.1933 456.0319 634.2536 61.9033 Citrate or Isocitrate_13C_4 Citrate or Isocitrate_13C_5 0.0247 0.2282 7.3361 3.1641 6.2658 6.1358 2.5924 1.6067 Citrate or Isocitrate_13C_6 2987.2063 887.5974 1231.2525 569.3896 3641.0806 251.1278 4538.0036 809.2645 4420.5102 331.0404 2392.9771 494.3976 636.5526 9927.9199 814.1110 2321.2527 6741.8333 784.2719 Erythrose 4-phosphate 12649.6576 19252.6201 12790.9367 23031.8093 28623.5603 34653.5099 3928.1760 10370.1822 10675.2897 9254.8456 18501.9395 14445.0144 15021.3613 1859.6373 11474.1906 4724.2419 700.3573 3312.8455 Erythrose 4-phosphate_13C_1 354.4381 336.6286 158.4009 Erythrose 4-phosphate_13C_2 249.9833 1050.3555 397.9410 87.0592 85.3401 2852.3231 1255.6836 0.1175 Erythrose 4-phosphate_13C_3 119.4204 Erythrose 4-phosphate_13C_4 258.2015 Fructose 1_6-bisphosphate 46308.5469 64186.9934 47363.1052 23376.5802 141866.5678 138923.3903 32400.6789 47794.1074 71684.9838 19481.0000 49322.8742 40119.3684 50917.2291 10207.5249 3155.9016 15278.6542 5026.1771 3071.2045 Fructose 1_6-bisphosphate_13C_1 6011.5927 3521.8176 215.7289 4107.9363 5439.3221 783.8158 3263.6992 2279.9538 Fructose 1_6-bisphosphate_13C_2 7975.9472 2491.7613 5539.3985 3624.6371 60748.2533 41347.4846 5163.3771 5133.1038 10322.7726 2530.7752 50916.8161 35171.1479 1759.7138 328.5686 89.0890 Fructose 1_6-bisphosphate_13C_3 149.2992 57.7281 2179.2419 638.8721 100.5885 Fructose 1_6-bisphosphate_13C_4 75.7070 5100.4681 3601.9718 137.2860 10413.8460 4970.7320 Fructose 1_6-bisphosphate_13C_5 Fructose 1_6-bisphosphate_13C_6 2957.7798 1622.0051 1099.1557 Glucose 6-phosphate or fructose-6-phosphate 623608.0973 709418.2200 486919.6798 956554.2301 1225566.0110 1016268.9610 339104.8738 122887.7518 131002.4315 269213.4555 302978.5414 248061.7794 488031.9184 81990.7940 362225.9201 132713.9064 20512.8718 45820.3711 Glucose 6-phosphate or fructose-6-phosphate_13C_1 6302.0364 11234.6498 10723.5241 5445.7090 32420.3346 30779.0170 7810.1025 18249.2908 17396.9795 7238.8492 36093.4143 25589.0478 10978.6859 549.3886 9928.9349 12282.1409 5272.0384 Glucose 6-phosphate or fructose-6-phosphate_13C_2 89150.9641 104402.3965 121694.2704 26703.5539 251081.6880 197136.8722 62704.5606 17978.6865 24200.5354 35156.9365 454179.3459 299983.5088 33880.5153 6792.6168 18169.8603 64198.7150 2597.9461 6356.5922 Glucose 6-phosphate or fructose-6-phosphate_13C_3 1367.8141 13.6370 456.2444 11453.7637 10058.4975 1481.8134 1623.7561 1790.6099 23066.9433 15352.8629 2078.5456 Glucose 6-phosphate or fructose-6-phosphate_13C_4 5442.4942 10128.7864 10305.9636 5988.0059 48218.4693 36018.0329 6633.2615 4252.4797 4155.5735 88298.4709 52090.7026 2984.8190 7587.1798 1108.5152 2464.3544 Glucose 6-phosphate or fructose-6-phosphate_13C_5 153.9201 0.8861 7020.1836 2858.0762 Glucose 6-phosphate or fructose-6-phosphate_13C_6 108.9261 285.0974 241.0917 885.6523 340.0845 Glutamate 5228891.2570 11049765.6700 6721913.5660 8640202.1620 7680974.4810 9576526.5750 3052474.9940 5464084.8300 4310177.2970 6125068.1470 5610229.6530 6689355.4660 5869890.5710 523009.2780 5083298.5520 2463721.3280 221751.0206 3769298.4210 Glutamate_13C_1 48663.0452 13337.0392 46320.4114 79151.1810 145310.9869 94945.0215 143388.5865 112167.1987 117771.7106 38509.9074 1989.1016 16408.9957 39551.0298 600.8072 68207.0389 Glutamate_13C_2 182513.7127 393248.3182 233691.7689 163366.0407 228869.4763 326418.4297 245825.8818 463942.3497 382146.4650 491872.4133 442483.6849 502703.0162 105597.9124 8847.9256 72307.4411 138844.5652 4342.5481 218223.5945 Glutamate_13C_3 914.7153 1508.8465 1820.9954 740.0180 3042.8034 10388.7100 23029.4020 19851.8805 26985.7329 22745.5500 26570.1382 2851.3893 6503.1684 Glutamate_13C_4 2106.2904 6071.5698 13553.6917 11579.2349 18951.6948 19227.2758 27199.2153 164.1704 4537.1103 Glutamate_13C_5 Lactate Lactate_13C_1 Lactate_13C_2 Lactate_13C_3 Malate 1327185.2490 2986039.2950 1499040.2340 1907337.6390 2287962.7550 2772719.4950 1287176.2380 1934605.0750 1540059.5660 1955527.7440 1375185.2130 1808982.0440 1937885.9670 182886.4746 751664.0656 1232111.0110 55291.9267 663405.1955 Malate_13C_1 8007.8327 11904.0970 7547.6473 3876.4118 9200.8856 7178.6775 22583.4111 56798.1393 36327.0830 54144.8376 28404.3664 33368.4628 4261.7344 1398.5447 16594.2291 10305.2054 Malate_13C_2 34631.7697 68462.6040 40109.4109 23325.2094 57114.7425 76850.8155 79959.9030 135024.9152 105079.9618 139757.3423 105455.7572 136612.5437 22680.3018 5513.2355 9482.3673 51046.8113 3262.7845 34078.2190 Malate_13C_3 1080.7280 1043.0348 2946.2626 7780.2422 7196.8759 7893.8073 5371.6152 7304.7530 102.1897 696.8232 Malate_13C_4 458.5799 1688.5213 245.7761 1042.8144 2431.3918 1757.8939 1555.6261 1204.0025 3979.7513 909.0142 4779.1948 3578.1631 585.8227 1761.7538 31.6003 550.4264 2213.9304 450.8059 Malonyl-CoA Malonyl-CoA_13C_1 Malonyl-CoA_13C_2 Malonyl-CoA_13C_3 Nicotinamide Adenine Dinucleotide oxidized 14348.4101 20671.7410 6914.2291 1688.0061 8936.5152 655.0662 44487.7127 1044.4600 11284.0789 796.6163 443.3730 5799.5583 623.6592 Nicotinamide Adenine Dinucleotide oxidized_13C_1 141.6346 5343.4251 Nicotinamide Adenine Dinucleotide oxidized_13C_2 1520.9309 Nicotinamide Adenine Dinucleotide oxidized_13C_3 195.8162 Nicotinamide Adenine Dinucleotide oxidized_13C_4 Nicotinamide Adenine Dinucleotide oxidized_13C_5 Nicotinamide Adenine Dinucleotide reduced 7662.8958 2261.4222 8056.6662 5941.0580 3083.1193 8630.2053 5514.4614 13212.0915 2861.5714 7252.4700 742.8295 382.1180 1012.7796 Nicotinamide Adenine Dinucleotide reduced_13C_1 1185.1158 121.1498 376.9323 Nicotinamide Adenine Dinucleotide reduced_13C_2 12.1387 347.9436 Nicotinamide Adenine Dinucleotide reduced_13C_3 509.7149 510.6896 265.0836 Nicotinamide Adenine Dinucleotide reduced_13C_4 86.6641 221.2658 Nicotinamide Adenine Dinucleotide reduced_13C_5 Phosphoenolpyruvate Phosphoenolpyruvate_13C_1 Phosphoenolpyruvate_13C_2 Phosphoenolpyruvate_13C_3 Ribose-5-phosphate or xylulose 5-phosphate 173160.1323 245596.3529 213345.4790 294201.1521 250814.1847 321689.8763 89280.1077 151503.8719 147993.6926 193858.6445 122307.1772 91394.7597 198327.3354 29826.5868 87340.7639 75456.4565 6540.4080 28148.6092 Ribose-5-phosphate or xylulose 5-phosphate_13C_1 8751.0228 15878.4436 13542.4956 6129.7023 10885.1626 19702.4654 18678.5242 45381.9801 38886.2494 38499.6434 28474.0046 23984.8004 10262.1903 1348.8480 21361.8573 2741.3112 Ribose-5-phosphate or xylulose 5-phosphate_13C_2 4738.7371 6834.9318 4672.9659 5684.6375 17697.0555 22853.5459 7649.4343 12173.0181 12296.6009 21203.2664 31557.3949 19989.9290 4556.2412 72.3603 1532.8912 7105.9845 2317.9183 Ribose-5-phosphate or xylulose 5-phosphate_13C_3 812.0129 2566.7306 3920.0594 1247.4814 3352.5883 7874.3252 4372.4205 13093.4862 8809.0617 11926.4418 12710.9669 11077.2462 1919.0501 5615.1134 353.2967 Ribose-5-phosphate or xylulose 5-phosphate_13C_4 688.1241 1135.5372 107.3343 5475.3169 9311.7362 2566.6368 5011.0713 2797.4993 10428.1491 16661.3999 11181.9323 317.5718 842.7100 1010.2332 Ribose-5-phosphate or xylulose 5-phosphate_13C_5 Sedoheptulose 7-phosphate 41179.9543 76206.3676 44082.7002 106244.8960 80682.4168 96345.3326 16072.1064 49797.7790 42212.5435 43486.6616 32268.1798 33025.3847 58464.7798 4488.0622 43986.1512 17701.5668 569.1484 17155.0593 Sedoheptulose 7-phosphate_13C_1 2747.3769 4363.4019 3987.4738 9145.4317 6321.3136 8574.5032 3410.8106 20010.7574 16703.3487 13653.0636 5041.8088 5972.7441 3062.9846 2672.2088 8646.0352 2900.7528 Sedoheptulose 7-phosphate_13C_2 274.6636 392.7813 159.0165 3072.0629 3839.4526 759.2333 4426.5972 1645.2470 4834.4081 3569.7167 11825.0677 168.3269 122.4605 422.9719 Sedoheptulose 7-phosphate_13C_3 124.0408 1945.4995 3971.9148 1482.2654 916.8217 4307.2228 5629.5776 639.0763 132.2002 Sedoheptulose 7-phosphate_13C_4 521.7341 257.6714 2004.0097 2380.2329 299.0367 589.7652 8409.9713 5724.0486 1432.3746 176.1366 Sedoheptulose 7-phosphate_13C_5 165.9924 2674.6233 3087.0435 138.7675 476.4189 843.9789 131.0891 2.3936 Sedoheptulose 7-phosphate_13C_6 1792.3828 3023.4937 290.6862 156.4674 639.3457 785.5447 Sedoheptulose 7-phosphate_13C_7 3857.7433 5443.0277 Sucrose 88090.0751 231628.1548 102592.7892 155709.8807 157468.3092 206216.5748 67390.0980 58861.4097 52425.1338 106546.3333 88705.8182 151765.7125 112400.2748 11446.3192 96042.8292 73613.2437 2536.1191 22162.3481 Sucrose_13C_1 1736.3124 601.3762 910.4222 555.5376 3527.8182 1247.9042 2027.1620 118.9820 2108.6825 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 2 or 3-phosphoglycerate_13C_1 724 C00597 2PG/3PG_13C_1 UM_Target_ID 2 or 3-phosphoglycerate_13C_2 724 C00597 2PG/3PG_13C_2 UM_Target_ID 2 or 3-phosphoglycerate_13C_3 724 C00597 2PG/3PG_13C_3 UM_Target_ID 2 or 3-phosphoglycerate_2PG/3PG 724 C00597 2PG/3PG UM_Target_ID 3-Glycerophosphate 754 GI_OH3P UM_Target_ID 3-Glycerophosphate_13C_1 754 GI_OH3P_13C_1 UM_Target_ID 3-Glycerophosphate_13C_2 754 GI_OH3P_13C_2 UM_Target_ID 3-Glycerophosphate_13C_3 754 GI_OH3P_13C_3 UM_Target_ID 3-phosphoglyceraldehyde 439168 C00118 G3P UM_Target_ID 3-phosphoglyceraldehyde_13C_1 439168 C00118 G3P_13C_1 UM_Target_ID 3-phosphoglyceraldehyde_13C_2 439168 C00118 G3P_13C_2 UM_Target_ID 3-phosphoglyceraldehyde_13C_3 439168 C00118 G3P_13C_3 UM_Target_ID 6-Phosphogluconate 91493 C00345 6PG UM_Target_ID 6-Phosphogluconate_13C_1 91493 C00345 6PG_13C_1 UM_Target_ID 6-Phosphogluconate_13C_2 91493 C00345 6PG_13C_2 UM_Target_ID 6-Phosphogluconate_13C_3 91493 C00345 6PG_13C_3 UM_Target_ID 6-Phosphogluconate_13C_4 91493 C00345 6PG_13C_4 UM_Target_ID 6-Phosphogluconate_13C_5 91493 C00345 6PG_13C_5 UM_Target_ID 6-Phosphogluconate_13C_6 91493 C00345 6PG_13C_6 UM_Target_ID Acetyl-CoA 444493 C00024 aCoA UM_Target_ID Acetyl-CoA_13C_1 444493 C00024 aCoA_13C_1 UM_Target_ID Acetyl-CoA_13C_2 444493 C00024 aCoA_13C_2 UM_Target_ID Adenosine diphosphate 6022 C00008 ADP UM_Target_ID Adenosine diphosphate_13C_1 6022 C00008 ADP_13C_1 UM_Target_ID Adenosine diphosphate_13C_2 6022 C00008 ADP_13C_2 UM_Target_ID Adenosine diphosphate_13C_3 6022 C00008 ADP_13C_3 UM_Target_ID Adenosine diphosphate_13C_4 6022 C00008 ADP_13C_4 UM_Target_ID Adenosine diphosphate_13C_5 6022 C00008 ADP_13C_5 UM_Target_ID Adenosine monophosphate 6083 C00020 AMP UM_Target_ID Adenosine monophosphate_13C_1 6083 C00020 AMP_13C_1 UM_Target_ID Adenosine monophosphate_13C_2 6083 C00020 AMP_13C_2 UM_Target_ID Adenosine monophosphate_13C_3 6083 C00020 AMP_13C_3 UM_Target_ID Adenosine monophosphate_13C_4 6083 C00020 AMP_13C_4 UM_Target_ID Adenosine monophosphate_13C_5 6083 C00020 AMP_13C_5 UM_Target_ID Adenosine triphosphate 5957 C00002 ATP UM_Target_ID Adenosine triphosphate_13C_1 5957 C00002 ATP_13C_1 UM_Target_ID Adenosine triphosphate_13C_2 5957 C00002 ATP_13C_2 UM_Target_ID Adenosine triphosphate_13C_3 5957 C00002 ATP_13C_3 UM_Target_ID Adenosine triphosphate_13C_4 5957 C00002 ATP_13C_4 UM_Target_ID Adenosine triphosphate_13C_5 5957 C00002 ATP_13C_5 UM_Target_ID Aspartate 5960 C00049 ASP UM_Target_ID Aspartate_13C_1 5960 C00049 ASP_13C_1 UM_Target_ID Aspartate_13C_2 5960 C00049 ASP_13C_2 UM_Target_ID Aspartate_13C_3 5960 C00049 ASP_13C_3 UM_Target_ID Aspartate_13C_4 5960 C00049 ASP_13C_4 UM_Target_ID Citrate or Isocitrate 311 C00158 CIT/ICIT UM_Target_ID Citrate or Isocitrate_13C_1 311 C00158 CIT/ICIT_13C_1 UM_Target_ID Citrate or Isocitrate_13C_2 311 C00158 CIT/ICIT_13C_2 UM_Target_ID Citrate or Isocitrate_13C_3 311 C00158 CIT/ICIT_13C_3 UM_Target_ID Citrate or Isocitrate_13C_4 311 C00158 CIT/ICIT_13C_4 UM_Target_ID Citrate or Isocitrate_13C_5 311 C00158 CIT/ICIT_13C_5 UM_Target_ID Citrate or Isocitrate_13C_6 311 C00158 CIT/ICIT_13C_6 UM_Target_ID Erythrose 4-phosphate 122357 C00279 E4P UM_Target_ID Erythrose 4-phosphate_13C_1 122357 C00279 E4P_13C_1 UM_Target_ID Erythrose 4-phosphate_13C_2 122357 C00279 E4P_13C_2 UM_Target_ID Erythrose 4-phosphate_13C_3 122357 C00279 E4P_13C_3 UM_Target_ID Erythrose 4-phosphate_13C_4 122357 C00279 E4P_13C_4 UM_Target_ID Fructose 1,6-bisphosphate 172313 C00354 FBP UM_Target_ID Fructose 1,6-bisphosphate_13C_1 172313 C00354 FBP_13C_1 UM_Target_ID Fructose 1,6-bisphosphate_13C_2 172313 C00354 FBP_13C_2 UM_Target_ID Fructose 1,6-bisphosphate_13C_3 172313 C00354 FBP_13C_3 UM_Target_ID Fructose 1,6-bisphosphate_13C_4 172313 C00354 FBP_13C_4 UM_Target_ID Fructose 1,6-bisphosphate_13C_5 172313 C00354 FBP_13C_5 UM_Target_ID Fructose 1,6-bisphosphate_13C_6 172313 C00354 FBP_13C_6 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_1 5958 C00092 G6P/F6P_13C_1 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_2 5958 C00092 G6P/F6P_13C_2 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_3 5958 C00092 G6P/F6P_13C_3 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_4 5958 C00092 G6P/F6P_13C_4 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_5 5958 C00092 G6P/F6P_13C_5 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_6 5958 C00092 G6P/F6P_13C_6 UM_Target_ID Glutamate 611 GLU UM_Target_ID Glutamate_13C_1 611 GLU_13C_1 UM_Target_ID Glutamate_13C_2 611 GLU_13C_2 UM_Target_ID Glutamate_13C_3 611 GLU_13C_3 UM_Target_ID Glutamate_13C_4 611 GLU_13C_4 UM_Target_ID Glutamate_13C_5 611 GLU_13C_5 UM_Target_ID Lactate 107689 C00186 LAC UM_Target_ID Lactate_13C_1 107689 C00186 LAC_13C_1 UM_Target_ID Lactate_13C_2 107689 C00186 LAC_13C_2 UM_Target_ID Lactate_13C_3 107689 C00186 LAC_13C_3 UM_Target_ID Malate 222656 C00149 MAL UM_Target_ID Malate_13C_1 222656 C00149 MAL_13C_1 UM_Target_ID Malate_13C_2 222656 C00149 MAL_13C_2 UM_Target_ID Malate_13C_3 222656 C00149 MAL_13C_3 UM_Target_ID Malate_13C_4 222656 C00149 MAL_13C_4 UM_Target_ID Malonyl-CoA 644066 C00083 mCoA UM_Target_ID Malonyl-CoA_13C_1 644066 C00083 mCoA_13C_1 UM_Target_ID Malonyl-CoA_13C_2 644066 C00083 mCoA_13C_2 UM_Target_ID Malonyl-CoA_13C_3 644066 C00083 mCoA_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_1 10897651 C00003 NAD_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_2 10897651 C00003 NAD_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_3 10897651 C00003 NAD_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_4 10897651 C00003 NAD_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_5 10897651 C00003 NAD_13C_5 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_1 439153 C00004 NADH_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_2 439153 C00004 NADH_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_3 439153 C00004 NADH_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_4 439153 C00004 NADH_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_5 439153 C00004 NADH_13C_5 UM_Target_ID Phosphoenolpyruvate 1005 C00074 PEP UM_Target_ID Phosphoenolpyruvate_13C_1 1005 C00074 PEP_13C_1 UM_Target_ID Phosphoenolpyruvate_13C_2 1005 C00074 PEP_13C_2 UM_Target_ID Phosphoenolpyruvate_13C_3 1005 C00074 PEP_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_1 77982 C00117 R5P/X5P_13C_1 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_2 77982 C00117 R5P/X5P_13C_2 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_3 77982 C00117 R5P/X5P_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_4 77982 C00117 R5P/X5P_13C_4 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_5 77982 C00117 R5P/X5P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate 165007 C05382 S7P UM_Target_ID Sedoheptulose 7-phosphate_13C_1 165007 C05382 S7P_13C_1 UM_Target_ID Sedoheptulose 7-phosphate_13C_2 165007 C05382 S7P_13C_2 UM_Target_ID Sedoheptulose 7-phosphate_13C_3 165007 C05382 S7P_13C_3 UM_Target_ID Sedoheptulose 7-phosphate_13C_4 165007 C05382 S7P_13C_4 UM_Target_ID Sedoheptulose 7-phosphate_13C_5 165007 C05382 S7P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate_13C_6 165007 C05382 S7P_13C_6 UM_Target_ID Sedoheptulose 7-phosphate_13C_7 165007 C05382 S7P_13C_7 UM_Target_ID Sucrose 5988 C00089 SUC UM_Target_ID Sucrose_13C_1 5988 C00089 SUC_13C_1 UM_Target_ID METABOLITES_END #END