#METABOLOMICS WORKBENCH araskind_20150313_9077291_mwtab.txt DATATRACK_ID:219 STUDY_ID:ST000145 ANALYSIS_ID:AN000230 PROJECT_ID:PR000129 VERSION 1 CREATED_ON 01-15-2019 #PROJECT PR:PROJECT_TITLE Metabolic effects of Noxa PR:PROJECT_SUMMARY labeled glutamine metabolomics on Noxa expressing cells PR:INSTITUTE University of Minnesota PR:DEPARTMENT Masonic Cancer Center PR:LABORATORY Kelekar Lab PR:LAST_NAME Kelekar PR:FIRST_NAME Ameeta PR:ADDRESS 420 Delaware Street SE,Minneapolis, MN 55455 PR:EMAIL ameeta@umn.edu PR:PHONE 612-626-2358 PR:DOI http://dx.doi.org/10.21228/M85C7W #STUDY ST:STUDY_TITLE Primary T Cell Noxa Knockdown (Donor 8) ST:STUDY_SUMMARY Cells were deprived of glucose or glutamine for 1 h then resuspended in 10mM ST:STUDY_SUMMARY [13C1,2] D-glucose labeled or 4 mM [13C5]-U-glutamine labeled medium, ST:STUDY_SUMMARY respectively. At this time cells were also activated with 5 ug/ml anti-CD3 and ST:STUDY_SUMMARY anti-CD28. Cells were labeled (and activated) for 12 h when samples were spun ST:STUDY_SUMMARY down, and cells were resuspended in 200 ul ice cold methanol ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - #SUBJECT SU:SUBJECT_TYPE Human cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0005337 S00016916 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005338 S00016917 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005339 S00016918 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005340 S00016919 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005341 S00016920 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005342 S00016921 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005350 S00016929 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005343 S00016922 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005344 S00016923 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005345 S00016924 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005346 S00016925 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005347 S00016926 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005348 S00016927 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005349 S00016928 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005351 S00016930 Label:Glutamine #COLLECTION CO:SAMPLE_TYPE Cells CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_PROTOCOL_FILENAME Fluxomics_analysis_protocol-2015-03-11.pdf SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:METHODS_ID AQM010|AQM011 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm-No_Insert.m.zip|ALPHA_KETO_ACIDS-FULL.M.zip CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Agilent 1260 LCLuna 3um NH2 100 , LC Column 150 x 1 mm, Ea (Phenomenex Inc.) CH:COLUMN_NAME 30m column, Agilent CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ANALYSIS_TYPE MS AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm.m.zip AN:PROCESSING_PARAMETERS_FILE EX00383-MassHunterQuant-DataAnalysis-Method.m.zip #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 S00016916 S00016917 S00016918 S00016919 S00016920 S00016921 S00016929 S00016922 S00016923 S00016924 S00016925 S00016926 S00016927 S00016928 S00016930 Factors Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine 2 or 3-phosphoglycerate_13C_1 2 or 3-phosphoglycerate_13C_2 2 or 3-phosphoglycerate_13C_3 2 or 3-phosphoglycerate_2PG/3PG 3942.9698 2089.3088 3054.2994 3127.9416 2281.7825 4430.0531 1828.2168 4162.5931 3405.3402 4410.1245 3103.1083 1652.2622 3515.2843 3-Glycerophosphate 13932.1511 6521.4083 11845.7094 10713.5444 11685.9515 13183.6739 13525.4013 18941.2501 14392.8391 21980.0031 10662.5987 12793.7352 3-Glycerophosphate_13C_1 3-Glycerophosphate_13C_2 326.4504 3-Glycerophosphate_13C_3 3-phosphoglyceraldehyde 0.9224 1.1453 0.9670 0.8732 1.0579 1.3935 0.6270 1.2661 0.9937 0.8994 1.5361 0.7623 1.0396 2.4591 1.4733 3-phosphoglyceraldehyde_13C_1 3-phosphoglyceraldehyde_13C_2 3-phosphoglyceraldehyde_13C_3 6-Phosphogluconate 2613.4664 1464.6409 2531.4048 3478.4381 3213.9510 4702.1875 6078.1850 13823.0133 7832.1618 10938.2511 4258.9122 5353.7387 2970.3449 1230.7873 6-Phosphogluconate_13C_1 6-Phosphogluconate_13C_2 4144.6390 5963.0906 5340.4561 6124.9245 6472.6033 8361.6022 1504.2095 6-Phosphogluconate_13C_3 6-Phosphogluconate_13C_4 6-Phosphogluconate_13C_5 6-Phosphogluconate_13C_6 Acetyl-CoA 6606.6534 6909.2394 10654.4898 12457.9917 13607.3245 14350.1276 15901.2740 20385.4383 14389.5960 23696.8793 8766.7700 12364.1503 Acetyl-CoA_13C_1 70.8364 880.1120 509.6650 821.4045 Acetyl-CoA_13C_2 478.7380 2066.6513 2323.1951 2416.3803 1096.2782 3581.5390 Adenosine diphosphate 59625.9549 46799.6402 65753.8281 56549.7821 79216.0070 62640.5698 63773.3521 96207.7148 57643.3041 75058.1197 36394.1062 46583.0836 Adenosine diphosphate_13C_1 3479.2621 1408.9541 2099.7208 2618.7987 3293.3581 4828.5546 189.5429 1285.1589 443.5712 168.3488 2783.2229 Adenosine diphosphate_13C_2 2967.6005 2838.6460 2285.2130 3077.9231 3905.9634 2819.2939 Adenosine diphosphate_13C_3 658.4838 58.3407 709.6296 780.0428 20.4970 129.2193 Adenosine diphosphate_13C_4 2511.4017 1367.2461 1628.1145 2442.0453 2489.7815 2571.0352 Adenosine diphosphate_13C_5 Adenosine monophosphate 14327.0500 11364.6657 19613.5432 14304.2219 17092.3633 20354.2900 17859.8480 23472.4724 19643.9980 24530.2230 13610.5752 16592.2230 Adenosine monophosphate_13C_1 267.6012 790.9017 887.1904 1482.3311 2073.2300 1295.7102 56.6463 373.5355 4018.6823 3514.9888 Adenosine monophosphate_13C_2 895.7954 688.7212 963.8780 Adenosine monophosphate_13C_3 Adenosine monophosphate_13C_4 Adenosine monophosphate_13C_5 Adenosine triphosphate 224354.6652 33811.2352 172914.9538 134867.4084 248767.2665 65918.6981 70139.9956 273959.3039 116808.8495 75616.4873 53157.4525 43951.2341 1890.4260 Adenosine triphosphate_13C_1 8028.6112 513.6592 6901.1358 7056.8203 11818.3683 2236.0385 1530.8626 55.8555 400.2788 638.2696 Adenosine triphosphate_13C_2 14052.7410 1488.6465 8631.7199 8762.9115 14864.5081 2349.9972 292.0467 Adenosine triphosphate_13C_3 4288.2069 2147.1508 3216.4635 4858.4684 Adenosine triphosphate_13C_4 8537.4597 5815.9169 4849.9075 10539.1459 Adenosine triphosphate_13C_5 Aspartate 367601.3684 362064.1580 499564.8224 459624.5271 508933.3713 642060.6281 690938.5070 578431.9707 686923.7400 571489.3088 786163.8921 298856.4608 511710.0537 3393161.7250 1394078.2350 Aspartate_13C_1 95971.4180 81773.9784 127702.0788 112975.3428 130956.4436 161564.8718 1700.3974 39238.7960 63996.5341 51268.5541 66019.1520 27009.7996 32477.9686 8278.6635 Aspartate_13C_2 102677.1510 88811.6906 129551.7696 121913.3559 132995.0080 162575.8628 1903.6259 61974.9209 79364.4814 65185.6461 85291.9637 36524.1825 56754.8587 211.6604 1957.6181 Aspartate_13C_3 38019.7962 33960.6067 48301.4332 43179.6654 49253.0479 62198.1743 16095.0563 16976.4132 14143.7632 21709.7047 7578.0679 16277.8423 Aspartate_13C_4 5700.4348 5299.9772 7214.8336 7706.9348 8002.5179 11090.1906 74489.3973 95055.7153 79534.2404 105367.7272 44626.5478 72422.4515 Citrate or Isocitrate 316501.7834 164227.5764 221164.5902 257344.0330 305041.9491 198534.5236 5047.6921 222044.9676 320067.3107 205192.9504 254821.8203 161729.0982 186895.7282 16574.2131 18002.6719 Citrate or Isocitrate_13C_1 62284.3557 33344.6996 41729.7530 50091.7185 65417.5048 36579.5014 38126.6875 61319.9475 38154.1336 47148.1326 27336.0522 34097.7147 Citrate or Isocitrate_13C_2 127195.8641 70844.3359 82736.1091 113795.4808 138791.2807 75284.9643 24790.9861 40687.6288 29194.0212 36027.7488 21033.9080 26604.6514 Citrate or Isocitrate_13C_3 35297.5682 18610.5317 25956.6471 30409.5228 36553.0564 20652.3295 22480.7814 39036.3130 24488.8975 29780.3601 15871.7841 20976.2523 Citrate or Isocitrate_13C_4 29545.8471 25281.0092 17135.0830 22234.9104 23889.6342 26888.9426 56213.5753 73750.4897 41768.4955 55109.3820 29698.4491 50413.6301 Citrate or Isocitrate_13C_5 8588.6595 3122.2891 4963.8115 5866.4097 7186.6409 3910.0631 21650.4269 31557.0819 21602.1027 27534.7222 17339.8958 20149.7833 Citrate or Isocitrate_13C_6 7949.7927 2664.1885 3791.9566 2711.5435 4063.5205 2019.1002 3481.1758 5514.8351 2883.8041 5084.8758 4746.9269 2241.6726 Erythrose 4-phosphate 0.9349 1.1608 0.9801 0.8850 1.0722 1.4123 0.6354 1.2832 1.0071 0.9115 1.5569 0.7726 1.0536 2.4923 1.4932 Erythrose 4-phosphate_13C_1 Erythrose 4-phosphate_13C_2 Erythrose 4-phosphate_13C_3 Erythrose 4-phosphate_13C_4 Fructose 1_6-bisphosphate 8896.2022 9597.3239 9484.7500 7350.0649 7145.9424 18179.7063 13964.7178 34844.8965 15544.8246 28232.8914 12922.0818 12686.4354 3381.1628 1956.1700 Fructose 1_6-bisphosphate_13C_1 Fructose 1_6-bisphosphate_13C_2 19443.2543 10588.5465 15548.2812 15785.6269 19784.3471 16684.7819 2105.0012 1211.5791 5194.5388 903.5306 Fructose 1_6-bisphosphate_13C_3 Fructose 1_6-bisphosphate_13C_4 Fructose 1_6-bisphosphate_13C_5 Fructose 1_6-bisphosphate_13C_6 Glucose 6-phosphate or fructose-6-phosphate 11958.1858 9867.9004 4823.9191 7690.2254 2352.7257 3751.7272 31635.2124 19123.1011 19696.0262 15248.9577 3956.8562 Glucose 6-phosphate or fructose-6-phosphate_13C_1 Glucose 6-phosphate or fructose-6-phosphate_13C_2 9575.0491 2166.2815 12170.6284 11649.7732 11943.3963 13634.2131 Glucose 6-phosphate or fructose-6-phosphate_13C_3 Glucose 6-phosphate or fructose-6-phosphate_13C_4 Glucose 6-phosphate or fructose-6-phosphate_13C_5 Glucose 6-phosphate or fructose-6-phosphate_13C_6 Glutamate 1975717.9980 1753719.5430 2378193.0120 2242285.8830 2463948.8440 3211300.3970 727711.9380 2562234.4810 3234521.8420 2597334.0710 3574348.8870 1470773.5150 2500911.9520 2877905.1560 1524240.4330 Glutamate_13C_1 421713.2073 371350.8650 502880.8092 474330.1291 545774.8649 673423.5914 11225.1360 389067.6700 507948.4638 401377.7690 553341.9259 227570.1195 383068.4615 24944.4660 18812.5295 Glutamate_13C_2 736092.9360 616966.3916 871274.4326 838767.5384 923324.2873 1179920.3190 1519.4448 169772.6299 234152.8318 181283.5223 269698.3004 104625.0502 176579.8983 6324.1134 1598.3616 Glutamate_13C_3 199143.0105 172987.2409 236994.5890 231467.8105 248347.9245 328204.7897 333812.5225 476880.3977 361568.8132 527832.0591 222092.4693 355703.0049 Glutamate_13C_4 108981.5576 91784.0737 122408.2215 120321.0485 130088.8140 174300.9393 2347.5125 22505.2335 32896.9738 25864.3417 39099.9573 16518.4364 21022.5197 Glutamate_13C_5 19170.7664 17337.1659 24727.6793 21249.3830 27439.5333 30563.3635 575260.3154 791326.9325 607411.9926 888434.9307 363211.7409 606998.5785 26461.5020 Lactate 0.9156 1.1369 0.9598 0.8668 1.0501 1.3832 0.6223 1.2568 0.9863 0.8927 1.5248 0.7567 1.0319 2.4409 1.4624 Lactate_13C_1 Lactate_13C_2 Lactate_13C_3 Malate 342196.3634 187782.5306 267184.1315 248050.4233 263813.6694 368487.1982 198517.0674 304779.4065 201202.0698 310143.4043 170358.1660 190043.9334 Malate_13C_1 54373.0110 33705.2769 46062.1760 41361.8063 45163.3751 64425.2198 38882.0751 60390.3476 38430.6659 61127.3392 34252.8293 36389.4551 Malate_13C_2 75830.2362 42882.9518 63231.2463 58033.4515 67204.7902 88497.9506 47488.4608 76477.8931 47801.6268 83767.6990 41198.3150 48253.4954 Malate_13C_3 20668.7885 13204.1905 19626.0126 15929.2550 18896.7096 24732.0274 11072.5311 20322.5083 14325.2706 20917.9879 11644.9178 10725.1789 Malate_13C_4 7699.5304 3262.6043 5741.2575 6397.6143 4476.4621 6909.3203 80069.1390 128743.5075 80549.7626 134312.7572 68284.6310 79843.8921 Malonyl-CoA 1.2946 1.6074 1.3571 1.2255 1.4847 1.9557 0.8799 1.7770 1.3946 1.2622 2.1559 1.0699 1.4590 3.4512 2.0677 Malonyl-CoA_13C_1 Malonyl-CoA_13C_2 Malonyl-CoA_13C_3 Nicotinamide Adenine Dinucleotide oxidized 44182.6566 12354.6873 35323.6199 30807.6294 38723.6557 31695.7268 2605.5207 54849.5708 109603.8521 64570.2066 73239.6179 52812.0262 47834.2470 23556.9313 26336.5046 Nicotinamide Adenine Dinucleotide oxidized_13C_1 14396.0443 5628.0274 14300.2673 10401.7992 13907.5487 12419.3523 776.1848 787.9064 754.8049 265.6373 Nicotinamide Adenine Dinucleotide oxidized_13C_2 14103.7454 4494.4849 11414.7056 11140.1138 14345.9880 14146.6625 9.7468 88.1228 98.5207 Nicotinamide Adenine Dinucleotide oxidized_13C_3 6457.6683 2396.1911 8234.2647 6513.8328 6950.4855 5566.8442 6202.6625 1403.8470 414.9309 1603.9934 4040.6735 826.2906 11495.6492 14973.9324 Nicotinamide Adenine Dinucleotide oxidized_13C_4 12601.2554 5316.2657 7847.7679 9961.2408 9916.0248 14692.5499 255.7306 Nicotinamide Adenine Dinucleotide oxidized_13C_5 1449.6606 466.8775 1450.5279 1332.3370 4963.5834 Nicotinamide Adenine Dinucleotide reduced 22043.4333 12480.7828 24799.2929 21381.0436 26821.1892 28419.7694 46987.5808 79095.0493 51591.3475 75078.3404 41743.6594 44009.9477 Nicotinamide Adenine Dinucleotide reduced_13C_1 7908.1895 5082.6978 9319.0091 7511.8280 9097.5938 10286.9954 1103.7740 2686.7471 Nicotinamide Adenine Dinucleotide reduced_13C_2 6893.4507 4093.2266 9854.3947 7820.5432 9323.1332 11714.2953 411.7088 567.3428 271.2133 Nicotinamide Adenine Dinucleotide reduced_13C_3 2481.8924 362.3779 2378.7005 2748.6030 2970.3710 3868.0233 185.9173 Nicotinamide Adenine Dinucleotide reduced_13C_4 6161.5404 3193.0435 6367.6226 6886.7004 7005.4575 7926.3753 Nicotinamide Adenine Dinucleotide reduced_13C_5 471.5143 235.5062 268.9526 441.6821 292.8185 Phosphoenolpyruvate 0.9222 1.1451 0.9668 0.8730 1.0576 1.3932 0.6268 1.2658 0.9934 0.8992 1.5358 0.7621 1.0393 2.4585 1.4730 Phosphoenolpyruvate_13C_1 Phosphoenolpyruvate_13C_2 Phosphoenolpyruvate_13C_3 Ribose-5-phosphate or xylulose 5-phosphate Ribose-5-phosphate or xylulose 5-phosphate_13C_1 Ribose-5-phosphate or xylulose 5-phosphate_13C_2 Ribose-5-phosphate or xylulose 5-phosphate_13C_3 Ribose-5-phosphate or xylulose 5-phosphate_13C_4 Ribose-5-phosphate or xylulose 5-phosphate_13C_5 Sedoheptulose 7-phosphate 0.9733 1.2085 1.0203 0.9214 1.1162 1.4703 0.6615 1.3360 1.0485 0.9490 1.6208 0.8044 1.0969 2.5947 1.5545 Sedoheptulose 7-phosphate_13C_1 Sedoheptulose 7-phosphate_13C_2 Sedoheptulose 7-phosphate_13C_3 Sedoheptulose 7-phosphate_13C_4 Sedoheptulose 7-phosphate_13C_5 Sedoheptulose 7-phosphate_13C_6 Sedoheptulose 7-phosphate_13C_7 Sucrose 13444.7515 26151.4251 21587.4286 30313.7813 24429.1084 34619.5352 4237.0118 22717.6179 24163.6105 17056.7423 6412.1360 18166.3778 Sucrose_13C_1 1975.9128 2502.3659 210.1313 5337.5984 2928.8898 3053.9015 5035.0770 1520.2040 3987.4489 Sucrose_13C_2 Sucrose_13C_3 1017.6616 1325.0764 1328.1353 988.0465 Sucrose_13C_4 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 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 Sucrose_13C_2 5988 C00089 SUC_13C_2 UM_Target_ID Sucrose_13C_3 5988 C00089 SUC_13C_3 UM_Target_ID Sucrose_13C_4 5988 C00089 SUC_13C_4 UM_Target_ID METABOLITES_END #END