#METABOLOMICS WORKBENCH araskind_20150612_9797071_mwtab.txt DATATRACK_ID:320 STUDY_ID:ST000215 ANALYSIS_ID:AN000317 PROJECT_ID:PR000169 VERSION 1 CREATED_ON 01-15-2019 #PROJECT PR:PROJECT_TITLE Regulation of hepatic metabolism PR:PROJECT_SUMMARY Examine metabolite in liver and plasma before and after 13C-glucose load in wild PR:PROJECT_SUMMARY type, LIRKO and LIRFKO mice PR:INSTITUTE University of Chicago PR:DEPARTMENT Jesse Brown VA Medical Center PR:LABORATORY Unterman Lab PR:LAST_NAME Unterman PR:FIRST_NAME Terry PR:ADDRESS Chicago, IL PR:EMAIL unterman@uic.edu PR:PHONE 847-778-0943 PR:DOI http://dx.doi.org/10.21228/M8N88K #STUDY ST:STUDY_TITLE Liver and Plasma metaboites for 13C-glucose load in wild type, LIRKO GTT 1 mice ST:STUDY_TYPE 13C mass isotopomer analysis (flux studies) ST:STUDY_SUMMARY Mice were fasted for 18 hr overnight then sacrificed or treated with ST:STUDY_SUMMARY 13C-U-glucose (2 g/kg ip) and sacrificed 1 hr later by decapitation and liver ST:STUDY_SUMMARY was immediately freeze-clamped and stored in liquid N2 and then at -80 C. Wild ST:STUDY_SUMMARY type (IR and IR/FoxO1 floxed) mice were sacrificed after fasting and 1 hr ST:STUDY_SUMMARY post-glucose treatment. Liver-specific insulin receptor knockout (LIRKO) and ST:STUDY_SUMMARY insulin receptor/FoxO1 double knockout (LIRFKO) mice were sacrificed 1 hr post ST:STUDY_SUMMARY glucose treatment. ST:STUDY_SUMMARY http://www.nature.com/ncomms/2015/150512/ncomms8079/full/ncomms8079.html 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 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 SU0003002 S00013145 treatment:glucose | Strain:IRF floxed SUBJECT_SAMPLE_FACTORS SU0003001 S00013143 treatment:glucose | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003001 S00013142 treatment:glucose | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003001 S00013144 treatment:glucose | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003004 S00013152 treatment:glucose | Strain:LIRFKO SUBJECT_SAMPLE_FACTORS SU0003004 S00013153 treatment:glucose | Strain:LIRFKO SUBJECT_SAMPLE_FACTORS SU0003004 S00013154 treatment:glucose | Strain:LIRFKO SUBJECT_SAMPLE_FACTORS SU0003004 S00013155 treatment:glucose | Strain:LIRFKO SUBJECT_SAMPLE_FACTORS SU0003003 S00013146 treatment:glucose | Strain:LIRKO SUBJECT_SAMPLE_FACTORS SU0003003 S00013147 treatment:glucose | Strain:LIRKO SUBJECT_SAMPLE_FACTORS SU0003003 S00013148 treatment:glucose | Strain:LIRKO SUBJECT_SAMPLE_FACTORS SU0003003 S00013149 treatment:glucose | Strain:LIRKO SUBJECT_SAMPLE_FACTORS SU0003003 S00013150 treatment:glucose | Strain:LIRKO SUBJECT_SAMPLE_FACTORS SU0003003 S00013151 treatment:glucose | Strain:LIRKO SUBJECT_SAMPLE_FACTORS SU0003000 S00013136 treatment:none | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003000 S00013137 treatment:none | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003000 S00013138 treatment:none | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003000 S00013139 treatment:none | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003000 S00013140 treatment:none | Strain:IR floxed SUBJECT_SAMPLE_FACTORS SU0003000 S00013141 treatment:none | Strain:IR floxed #COLLECTION CO:SAMPLE_TYPE Liver CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_PROTOCOL_FILENAME Fluxomics_analysis_protocol-2015-03-11.docx SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:METHODS_ID AQM010 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm.m.zip CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) 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 EX00258-flux-MassHunterQuant-GlyTCA-DataAnalysis-LCMS-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 S00013145 S00013143 S00013142 S00013144 S00013152 S00013153 S00013154 S00013155 S00013146 S00013147 S00013148 S00013149 S00013150 S00013151 S00013136 S00013137 S00013138 S00013139 S00013140 S00013141 Factors treatment:glucose | Strain:IRF floxed treatment:glucose | Strain:IR floxed treatment:glucose | Strain:IR floxed treatment:glucose | Strain:IR floxed treatment:glucose | Strain:LIRFKO treatment:glucose | Strain:LIRFKO treatment:glucose | Strain:LIRFKO treatment:glucose | Strain:LIRFKO treatment:glucose | Strain:LIRKO treatment:glucose | Strain:LIRKO treatment:glucose | Strain:LIRKO treatment:glucose | Strain:LIRKO treatment:glucose | Strain:LIRKO treatment:glucose | Strain:LIRKO treatment:none | Strain:IR floxed treatment:none | Strain:IR floxed treatment:none | Strain:IR floxed treatment:none | Strain:IR floxed treatment:none | Strain:IR floxed treatment:none | Strain:IR floxed 2 or 3-phosphoglycerate_13C_1 1218.9964 2 or 3-phosphoglycerate_13C_2 1574.0167 2373.1509 4989.2428 5433.7707 3049.0734 3591.7401 414.9037 1056.9982 2 or 3-phosphoglycerate_13C_3 3600.5990 2635.5913 6974.3408 914.8454 694.7325 3321.8987 2514.7682 2206.2576 1083.4800 3367.7863 2 or 3-phosphoglycerate_2PG/3PG 9453.4897 9894.5078 25272.5106 8915.7097 7839.1168 3222.2407 8798.7595 960.0805 11578.8993 12397.6724 10548.1033 11209.9661 4326.6167 4920.3749 6514.4501 1267.6319 1482.8562 3-Glycerophosphate 1146326.5760 1176186.4770 470026.9753 1772935.1960 906994.5366 2515126.8810 2096108.0580 573092.3937 1635581.1520 404623.4697 1565910.6290 1471212.6780 1094227.9340 1424611.7280 841718.6514 845882.4420 1002046.1150 411267.8115 544866.1653 171993.1693 3-Glycerophosphate_1 94492.5275 78253.6547 7394.4541 136305.5830 57651.5978 178060.6570 137405.0486 34158.7445 82639.4926 22059.3318 34883.0255 64596.5689 41687.9771 69355.0227 297.8448 320.1454 1666.1878 467.8558 3-Glycerophosphate_2 98452.3157 75387.6978 9859.7914 99018.7293 62508.4664 167689.7680 146307.2123 40523.0216 99794.4246 29418.2808 41324.2506 73390.5386 51848.1658 89115.8745 1677.6242 925.8473 629.8435 3268.9367 3-Glycerophosphate_3 278793.7445 194083.3035 16096.3558 460582.1291 114531.1237 294532.4444 201848.3015 57383.1457 191300.4772 46694.7812 140229.7787 192998.6625 122743.4408 196676.3765 3-phosphoglyceraldehyde 1290.0269 1856.6346 1177.1517 2025.8840 1230.5350 15998.2621 11603.6220 4581.4410 10685.3890 911.0954 1530.5731 15592.8782 9267.8881 5976.9202 1998.5396 3267.7972 3050.9181 2793.0692 3-phosphoglyceraldehyde_1 1742.6592 3-phosphoglyceraldehyde_2 3-phosphoglyceraldehyde_3 6-Phosphogluconate 12823.8870 8952.7585 695.0174 15070.9970 3133.4134 13914.5910 12352.3899 4431.9212 14126.5167 2184.2873 35368.9729 37760.0146 25457.4961 13520.8457 5804.7354 11192.3951 13413.6867 2568.6357 1945.5805 6-Phosphogluconate_13C_1 1553.5175 826.2637 2652.4112 325.5528 270.4773 265.8085 4277.7010 5570.4367 3397.0897 473.8926 6-Phosphogluconate_13C_2 1315.5217 1218.4021 1167.9905 2546.0417 597.6489 3777.4753 5442.3159 2732.2250 6-Phosphogluconate_13C_3 6-Phosphogluconate_13C_4 3.8185 3.8172 6-Phosphogluconate_13C_5 1.3476 1.5837 0.6409 0.1815 3.7947 5.0495 2.8162 0.2204 6-Phosphogluconate_13C_6 3379.5960 4338.2173 1441.2743 1938.2140 8146.9560 9696.0153 4319.8123 2577.1317 Acetyl-CoA 193438.8212 170259.4155 54545.8593 283241.9266 93253.0753 293043.2192 259946.8887 73485.6741 93696.8634 43596.1762 50316.5597 71872.6205 111711.6975 297315.9739 157008.1932 214441.5460 185195.2044 64430.6266 148945.2705 74939.1885 Acetyl-CoA_13C_1 693.0478 1362.0158 5503.9245 1967.7523 949.8910 5841.5652 1700.5506 1217.8763 2730.6937 5385.9572 2524.0704 598.0396 998.4489 3748.7738 402.2715 Acetyl-CoA_13C_2 Adenosine diphosphate_13C_1 2583.6732 3291.2596 2587.3886 8980.5170 4869.1824 2071.2748 4861.8074 5096.0405 2212.5122 2409.8158 767.0235 8407.6593 5646.8292 1517.4061 1994.2000 1520.2924 1096.6242 Adenosine diphosphate_13C_2 3269.4432 1751.0386 2487.4244 3083.0481 1101.0042 649.6325 65.4470 2236.9873 896.3229 498.0947 883.7698 1545.2313 2274.4660 835.5581 402.8749 1440.8659 364.9534 Adenosine diphosphate_13C_3 254.1394 2039.4611 868.1417 666.6760 305.3690 827.1032 591.5316 Adenosine diphosphate_13C_4 2478.5911 2887.9397 1911.6742 4000.6021 2576.9758 3257.5275 720.8843 467.8363 Adenosine diphosphate_13C_5 Adenosine monophosphate_13C_1 16521.3822 Adenosine monophosphate_13C_2 27356.3365 22682.7109 38632.9260 39348.8324 5803.2287 32247.6179 21920.4612 20795.5506 36772.7515 73576.7136 12318.4806 208227.1175 22513.1756 17042.8512 24492.4963 7947.5834 1159.9333 Adenosine monophosphate_13C_3 15121.9196 16766.5963 22825.8868 9992.4728 7427.8984 16882.6516 11692.3235 19696.7095 33479.6047 10411.6478 6041.1763 38636.7638 26148.2897 24802.5756 2899.9458 1977.2955 5613.4415 230.5996 4363.3120 1428.3288 Adenosine monophosphate_13C_4 35623.5124 19360.2176 13571.6768 11318.2998 4219.8777 28230.6201 9330.5569 6831.1844 14057.9705 1357.2038 9314.2289 14168.7517 11618.1002 9672.4232 3838.2294 7794.6568 7976.0122 1648.6922 2544.4149 198.0983 Adenosine monophosphate_13C_5 11259.3574 10343.0031 1336.2049 3305.7617 9254.8614 1829.4151 6049.1227 11072.3440 10537.4277 Adenosine triphosphate_13C_1 Adenosine triphosphate_13C_2 Adenosine triphosphate_13C_3 Adenosine triphosphate_13C_4 Adenosine triphosphate_13C_5 ADP 1204859.1620 914384.8829 460080.3787 1318656.3290 458303.9658 900494.7196 868375.3544 537421.3274 531150.7206 397921.2726 308656.0079 407926.7745 415519.8461 994240.7709 963054.9979 1032610.5710 1234904.4670 419574.1000 568935.7558 255297.7542 AMP 14569548.4300 10042023.9800 8431006.8540 13711440.3400 7982065.2210 18466840.2200 14860554.8900 7159892.2950 14585826.0300 5092012.1020 7053599.6700 10498941.2100 12230535.1600 14373551.7300 10519042.8700 10256853.1600 13961973.0900 6700846.7090 9924449.6110 6942949.4270 Aspartate 202746.7235 148347.0047 74760.6067 260698.3432 69231.4681 336396.7937 271159.9553 149275.1440 247619.5992 81363.5471 429171.0523 421210.0537 412881.4275 310378.4409 137584.2374 148254.6960 166973.4896 38991.6142 82681.9396 60568.6662 Aspartate_13C_1 21390.7643 14884.6088 3556.8468 29585.9690 3161.8250 33265.6144 25935.2606 16640.5282 23473.6973 10581.5719 33683.4166 52983.8188 44746.4522 35347.6067 225.5014 699.3960 Aspartate_13C_2 20141.3293 11031.9310 2774.8360 18970.5552 3198.9936 28774.3817 20947.3517 14095.1609 22507.8029 6846.2275 31132.5360 41157.4652 46322.5348 34642.4235 2392.4132 1304.5447 534.6898 Aspartate_13C_3 15632.2372 8818.3533 1733.6612 15076.1920 1465.8854 22041.0660 15400.8410 13376.3876 12904.7640 7621.8654 30956.0904 32963.9742 36081.5847 28248.6551 Aspartate_13C_4 820.4314 527.5270 2114.2455 1573.4911 932.9434 672.6314 2201.2570 3480.0020 3499.2179 2221.5827 ATP 28318.6650 22489.8378 8250.4636 35301.8430 10616.8852 14546.5024 15468.1575 12458.1064 10261.6757 14514.1964 12459.3015 11780.3164 9086.4849 18283.1139 21119.8148 29612.3550 31485.3340 9859.8692 11077.5766 9172.9031 Citrate or Isocitrate 1063037.8270 832664.5941 470155.7837 1338040.0660 483232.6144 1623638.4260 874125.9360 1107095.5730 1056645.2560 502464.2442 481016.8794 1435452.4940 1607808.6640 1371484.3530 375863.2451 502282.0456 1081141.3540 714379.3733 841469.2071 699225.3059 Citrate or Isocitrate_13C_1 158468.7361 90917.3263 41180.9338 192369.2911 40536.2244 185825.7163 103392.6807 129835.8458 119146.5670 64333.0546 47053.9304 180338.1312 174589.5151 152156.2581 942.8433 1434.4255 1514.6322 1920.1138 Citrate or Isocitrate_13C_2 120264.4578 60071.9116 22905.1950 92788.2260 28453.2474 141265.5123 75013.3742 92306.2305 92676.3552 42617.8892 44435.3622 166288.4044 153724.7769 122910.4607 1135.1670 527.4314 267.4353 1060.8411 648.4756 918.2933 Citrate or Isocitrate_13C_3 71769.3127 37594.2282 12180.0443 64642.2901 13828.9214 89095.3705 45150.3312 71295.5231 40685.8287 26749.6855 28605.9419 87952.5383 100029.9228 82813.4380 Citrate or Isocitrate_13C_4 10166.1681 6218.5303 4674.0441 12181.5285 5585.1097 16170.3009 6804.4325 11961.3616 8045.9834 6245.2749 5096.7959 16599.1808 17010.3981 13527.9504 1095.2319 Citrate or Isocitrate_13C_5 8.5715 7.5788 Citrate or Isocitrate_13C_6 681.2197 1707.0000 976.8025 3888.6657 2953.7311 1529.4847 1547.3842 1402.1339 1810.7104 3313.2569 2185.2508 Erythrose 4-phosphate 10979.8170 9018.7149 2299.4326 12825.7897 6179.4818 14436.1130 14378.6577 4604.2898 8468.6395 1000.7848 19022.8498 17901.0798 15365.0692 7670.8956 5491.4993 7500.1287 12872.3882 3899.3876 5932.0327 2384.6703 Erythrose 4-phosphate_1 2072.5030 814.6040 541.5097 2677.4227 1349.2243 Erythrose 4-phosphate_2 53.9667 239.2751 760.1520 854.2807 252.4923 362.0872 Erythrose 4-phosphate_3 1121.2073 6.6631 Erythrose 4-phosphate_4 3405.9588 1075.3940 1975.6406 781.1632 1334.2699 1588.7020 Fructose 1_6-bisphosphate 5583.2663 6110.7871 10027.3796 1104.5425 3776.7027 1196.6753 5248.3366 1537.4182 10829.7993 6036.7349 2312.5957 9885.2815 13260.2928 6255.6701 918.5397 1616.0440 Fructose 1_6-bisphosphate_1 Fructose 1_6-bisphosphate_2 Fructose 1_6-bisphosphate_3 3837.1854 Fructose 1_6-bisphosphate_4 Fructose 1_6-bisphosphate_5 Fructose 1_6-bisphosphate_6 Glucose 6-phosphate or fructose-6-phosphate 308654.4518 221957.2559 45381.9514 239310.2734 153140.8139 382512.0040 308051.4246 184176.4864 171604.9676 74763.7925 191186.1171 280483.7792 280030.8746 143804.2771 183181.1914 314907.8969 383706.4298 188479.2517 162227.7229 33915.1579 Glucose 6-phosphate or fructose-6-phosphate_1 60923.0531 39127.6456 2648.9246 34166.1186 27695.4467 66575.9411 46653.3187 31945.0544 17966.5516 10145.5386 11541.1069 29778.9940 27615.7066 15568.2510 977.5279 1296.2481 1357.4515 Glucose 6-phosphate or fructose-6-phosphate_2 70965.7373 39279.7778 2245.0596 35034.3238 27618.5652 74875.4982 57952.4953 32927.6701 21256.0009 10735.2536 14121.1608 33734.7584 41892.8866 19545.1138 1325.5775 1615.6922 2144.1945 834.8975 121.6862 Glucose 6-phosphate or fructose-6-phosphate_3 84906.5687 46789.9164 2678.9015 49931.4523 28106.9532 67555.3547 53292.3191 31273.0034 25086.0836 12661.2471 18023.7125 42583.5717 44551.2155 22648.0187 9.0388 8.6294 Glucose 6-phosphate or fructose-6-phosphate_4 18648.7798 9331.2397 10942.2252 4467.8190 13355.8918 10366.0202 5921.8080 1722.0718 2604.7837 5552.8796 5763.1084 3939.4538 6.4280 Glucose 6-phosphate or fructose-6-phosphate_5 20750.5178 10608.0241 3240.2839 10843.6340 6306.6890 16995.6116 10732.2428 3301.2067 5764.0042 3128.6548 8109.5244 12825.7392 11076.8353 9775.6910 967.9625 1212.6728 1462.1392 177.8735 608.5612 697.3547 Glucose 6-phosphate or fructose-6-phosphate_6 143712.7241 63411.8253 6010.6136 98913.2954 29717.0207 67044.7494 37862.6556 30485.3336 26844.5241 19568.4212 77304.5961 103297.8337 84259.3727 60766.9276 Glutamate 859697.2765 723790.0750 397846.1928 1120308.9530 433336.9618 1347705.8210 1177694.3190 463056.8660 1812535.2430 481732.1377 2283444.0550 2001801.6590 1746895.9930 1355912.1420 640903.7535 457495.5718 536305.0301 171165.8933 337217.2847 267935.1653 Glutamate_1 72096.3607 47392.7578 18011.9495 102949.1534 23190.8422 87903.0851 73415.8819 32597.7890 144987.0411 37479.6469 130841.3244 165773.3621 133125.5323 84538.5260 1081.5856 847.8552 Glutamate_2 86553.8199 51590.8235 19400.0859 80834.1759 26652.9146 102450.8481 92714.1897 37581.7622 157374.1489 47177.1282 174941.3805 194457.1466 181702.0154 121195.9826 728.2546 51.6371 572.9635 808.1782 Glutamate_3 32590.2279 18620.6826 7288.8337 33499.2069 10087.2824 37554.0617 39475.9458 13938.3176 66414.8629 19949.6976 68305.7257 79840.1589 75181.1338 48894.0120 Glutamate_4 718.0460 34.7519 34.4525 80.1555 638.2373 2148.4504 802.1724 968.2018 544.2180 744.5080 Glutamate_5 Lactate 1478382.0010 406709.3735 180246.3817 1191272.2190 1001049.1580 476369.9651 552129.1519 601896.2634 1412274.1980 278959.5023 1244222.0740 1980395.5170 1105936.7980 950525.2981 717523.7272 644951.1567 592779.6697 564125.9802 770001.8435 205613.8649 Lactate_1 229161.1087 14837.1569 12722.8705 183293.9934 134782.5532 70024.3228 56849.1007 70764.3768 160055.7975 23138.9045 113176.9382 219056.8500 136033.0722 106726.5227 1676.9589 Lactate_2 200506.4515 15598.2846 11093.7726 140382.1993 123098.2107 41330.7968 49083.8679 62519.0860 153387.0993 25155.5348 122382.4363 222266.3619 139627.2282 111319.3189 Lactate_3 1045842.2610 181414.9365 149919.2980 810680.4317 330201.5494 227980.3903 175375.4014 202340.6542 576044.3447 129296.1023 1246847.4860 1537372.4660 910059.7194 1052791.1330 Malate 808040.7608 711994.3477 201557.6630 901946.1029 366727.8641 1715516.4500 980128.5812 558395.5509 925724.7584 395514.7080 1233078.8930 1509022.3430 1572274.3000 1403898.4430 223370.5573 243293.1156 371014.1918 263006.1134 278413.0018 175092.4637 Malate_1 119715.2015 77421.7193 21164.2245 146756.0789 38017.6159 207023.6943 133494.2119 70790.1415 106654.8212 61373.1173 133192.1128 197570.9360 200945.9955 176762.2550 210.5169 597.9078 5.5707 Malate_2 117291.5174 101444.9429 29562.5793 130584.5479 57755.8160 244257.8003 153499.7961 71407.6110 134677.2038 58639.9259 128589.0569 241169.0179 296421.1276 201131.6138 2879.7977 15973.8822 18177.3618 5395.7039 5539.6872 3468.9500 Malate_3 65614.5421 38210.5327 6921.3679 57132.8101 17162.6913 112479.9051 71581.1034 43443.9864 47614.0730 30525.2839 86304.1383 96943.6998 119940.5656 134264.4747 503.1671 440.2143 Malate_4 9940.9355 5477.7130 220.9824 10026.0729 3388.0269 15957.8812 10085.9200 6511.5940 10132.9077 2192.6816 13156.4522 15335.8641 19310.6438 19188.4218 346.7981 836.5150 119.2984 81.3260 Malonyl-CoA Malonyl-CoA_1 Malonyl-CoA_2 Malonyl-CoA_3 Nicotinamide Adenine Dinucleotide oxidized 1068195.8460 739426.2877 545235.5934 1368570.1360 692568.8416 1279636.5940 936358.0361 703957.8888 907659.7057 401648.2987 146551.5628 202565.3165 168870.5418 816306.4926 1373724.1150 920271.6853 1151907.6930 645497.9175 1111347.0080 699427.9369 Nicotinamide Adenine Dinucleotide oxidized_1 10614.5126 4994.2158 5291.5682 24276.1839 12358.8571 9146.1720 12802.5727 5148.9229 16117.2208 4516.5447 9732.8705 6439.4162 8246.1552 15875.1938 11461.1570 8849.8695 4889.2185 4974.0804 8346.2529 Nicotinamide Adenine Dinucleotide oxidized_2 16013.4909 15241.8804 4113.1624 7540.9378 6251.8025 9691.6270 8806.4266 3567.7793 14269.1511 1182.4819 4058.4747 7403.3757 4133.0353 13005.9725 4763.6185 6456.2773 681.5611 1630.5000 Nicotinamide Adenine Dinucleotide oxidized_3 7086.0143 1590.6508 228.1073 4968.9750 310.1512 7299.2320 5658.3875 2021.4685 4571.3006 138.1725 2097.2645 1593.0151 279.1525 2850.7936 960.0830 1176.7575 922.5678 Nicotinamide Adenine Dinucleotide oxidized_4 3944.0400 5174.3772 21.8373 2278.0727 1849.5601 1389.0362 309.9826 5782.0756 116.3041 2551.6476 1234.3827 1237.0138 1445.4491 549.2142 Nicotinamide Adenine Dinucleotide oxidized_5 3813.5496 3606.0957 1263.7885 159.8134 1897.7086 295.7150 563.3660 956.0398 423.4170 Nicotinamide Adenine Dinucleotide reduced 1032055.6930 591071.6113 1077570.8040 1352586.6070 807407.8773 1404020.8060 1570702.5080 336872.2159 1108480.2470 243513.3956 265300.3975 322566.7284 208812.9192 1336230.1090 847405.7039 1315259.6840 897015.6883 355082.6340 506781.5898 369660.5982 Nicotinamide Adenine Dinucleotide reduced_1 7763.5221 3873.7707 1357.0965 8432.3929 8624.6934 1321.1804 2095.6681 796.1869 4713.4573 7788.0268 3925.6643 948.9066 10370.6897 1598.6355 Nicotinamide Adenine Dinucleotide reduced_2 13290.1789 12216.3003 5395.0757 11192.8433 7029.3224 12833.1234 14568.6487 2617.8410 13767.3676 2251.1977 3605.9236 5208.6848 998.2829 10903.7676 3638.1170 2200.1910 498.8059 313.2807 Nicotinamide Adenine Dinucleotide reduced_3 12222.7820 8693.3854 5025.9817 8696.7300 9007.9055 9513.5197 10398.9826 1086.0495 15577.0767 4225.8710 6663.1714 6847.8887 8791.4487 13366.5091 2401.6720 2814.4692 3711.7767 810.8229 1830.2271 Nicotinamide Adenine Dinucleotide reduced_4 3378.9391 3771.6723 2839.8301 8049.1546 1116.4897 2381.5273 4123.8189 1176.9029 892.4802 1542.7925 8936.8226 Nicotinamide Adenine Dinucleotide reduced_5 5367.5028 3037.9115 46.4318 3237.8183 2372.1477 2452.5916 5583.0205 222.5288 1129.6600 1276.5368 3086.3267 1764.6956 3868.6789 2938.6032 Phosphoenolpyruvate Phosphoenolpyruvate_1 Phosphoenolpyruvate_2 Phosphoenolpyruvate_3 Ribose-5-phosphate or xylulose 5-phosphate 242552.3377 200488.2912 123861.4179 299816.2101 125755.4283 306088.4251 237069.3098 128547.8048 256846.8776 72279.9515 581205.2153 647984.4041 548716.1712 309718.0065 114845.0856 142665.3978 218299.7411 89552.0565 149587.7497 85252.5498 Ribose-5-phosphate or xylulose 5-phosphate_1 2761.7766 2895.2128 772.1518 3375.9139 144.3029 3515.1750 3020.9908 1512.6777 2683.2252 1032.2204 3085.8990 8660.9068 3398.8632 1680.3036 37.6890 Ribose-5-phosphate or xylulose 5-phosphate_2 9424.2045 7566.6357 5618.1540 8204.7049 2552.9844 11363.8178 5735.2407 4696.0186 7938.9170 1111.6351 87003.3279 53036.4253 23902.7736 9238.0150 4882.1808 3615.4595 4453.7525 1861.0886 2789.3804 2169.4263 Ribose-5-phosphate or xylulose 5-phosphate_3 3684.7724 3718.0813 612.2321 3885.5013 1271.0036 4409.4241 1467.7043 3926.5297 5051.0127 8467.2947 7325.3928 4037.2291 1656.1760 2037.5620 3195.0091 1471.2519 1007.4572 Ribose-5-phosphate or xylulose 5-phosphate_4 651.8676 66.6392 41.7934 173.1966 1543.4506 18.6578 472.3913 67.9339 Ribose-5-phosphate or xylulose 5-phosphate_5 1880.8719 1882.2393 804.4805 479.6385 715.5583 289.5506 2369.8003 1879.3742 432.5798 Sedoheptulose 7-phosphate 116830.7804 124103.5341 71101.5264 181316.8724 87600.3752 190288.7453 213234.9870 64962.8981 146549.3130 38830.7649 560921.0414 425176.3371 243101.1502 132564.9467 98997.3056 150098.5105 225489.6917 82019.1901 114335.6485 47908.0482 Sedoheptulose 7-phosphate_1 37497.8174 33701.6152 3092.8041 48621.0702 25394.0301 46787.4745 53377.2423 13549.0779 23500.5947 6838.6968 17987.6833 26368.8762 16071.0074 19394.5254 1304.8116 2308.5032 1616.0264 682.2239 Sedoheptulose 7-phosphate_2 47404.3388 41040.5943 3374.7143 56986.7155 24655.5169 47712.7550 51041.9581 14729.2646 22999.5222 6958.2405 24207.2020 46153.4472 29334.7897 26573.4482 69.9113 Sedoheptulose 7-phosphate_3 35469.5168 25363.7212 1100.6442 42017.6095 17100.2117 32656.9113 32000.0554 9408.1480 15566.8238 4868.8809 13241.0491 23036.1876 15793.2085 16390.6379 Sedoheptulose 7-phosphate_4 25284.8375 16618.4099 29739.2952 8802.7054 16930.8350 15612.3786 4697.3467 9117.5560 3150.1339 6718.7033 13096.5781 6614.5753 8889.3799 6.7393 12.7292 Sedoheptulose 7-phosphate_5 20295.8665 15488.0066 4410.5543 19435.5622 19519.5577 23373.1875 18805.9638 11579.2282 11976.7029 4634.5994 9113.3875 15769.2455 7469.3120 7935.4791 12638.8289 8469.9422 7403.5008 8281.8050 16742.0327 7891.5571 Sedoheptulose 7-phosphate_6 8412.5231 4907.5572 10285.6156 2560.3622 4267.6842 3670.7582 3374.5882 1333.7188 216.4965 1393.3866 2932.5595 1202.4938 2064.6639 199.2986 38.1761 183.9726 442.6580 Sedoheptulose 7-phosphate_7 6104.6909 4216.5857 8569.7324 325.2638 1203.1412 661.2387 816.3078 122.7937 3048.4868 3436.6411 993.5598 2131.9535 43.0336 Sucrose 248295.7541 257223.2930 80494.7468 408191.0913 251008.0806 616276.6518 575374.3758 100463.2841 503235.7153 92288.4833 310799.7398 236257.6998 88775.4825 471831.5213 112175.6352 80232.8880 99961.6073 62500.8216 111546.3406 29951.0560 Sucrose_1 43549.1349 34628.7709 10092.4232 73413.9544 28129.2902 88945.0049 94421.3731 14498.8300 70819.2063 15490.9057 41404.5527 43958.7644 8642.3482 72613.6402 629.8012 108.8055 1245.3579 Sucrose_2 41685.4270 30324.8027 8619.7581 44727.5870 28592.3492 89063.6215 85294.1577 16329.5021 62380.3984 15560.3798 34551.5957 31076.5949 18339.8321 68482.7487 Sucrose_3 22441.8646 16486.5336 3007.4734 23675.7773 11773.3070 49608.3511 48815.0075 8430.7336 27174.2537 8276.6145 23935.4304 16448.4062 3667.7359 43646.5883 Sucrose_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 3-Glycerophosphate 754 GI_OH3P_13C_1 3-Glycerophosphate 754 GI_OH3P_13C_2 3-Glycerophosphate 754 GI_OH3P_13C_3 3-phosphoglyceraldehyde 439168 C00118 G3P 3-phosphoglyceraldehyde 439168 C00118 G3P_13C_1 3-phosphoglyceraldehyde 439168 C00118 G3P_13C_2 3-phosphoglyceraldehyde 439168 C00118 G3P_13C_3 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_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_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_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 ADP 6022 C00008 ADP UM_Target_ID AMP 6083 C00020 AMP 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 ATP 5957 C00002 ATP 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 122357 C00279 E4P_13C_1 Erythrose 4-phosphate 122357 C00279 E4P_13C_2 Erythrose 4-phosphate 122357 C00279 E4P_13C_3 Erythrose 4-phosphate 122357 C00279 E4P_13C_4 Fructose 1,6-bisphosphate 172313 C00354 FBP Fructose 1,6-bisphosphate 172313 C00354 FBP_13C_1 Fructose 1,6-bisphosphate 172313 C00354 FBP_13C_2 Fructose 1,6-bisphosphate 172313 C00354 FBP_13C_3 Fructose 1,6-bisphosphate 172313 C00354 FBP_13C_4 Fructose 1,6-bisphosphate 172313 C00354 FBP_13C_5 Fructose 1,6-bisphosphate 172313 C00354 FBP_13C_6 Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P_13C_1 Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P_13C_2 Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P_13C_3 Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P_13C_4 Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P_13C_5 Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P_13C_6 Glutamate 611 GLU Glutamate 611 GLU_13C_1 Glutamate 611 GLU_13C_2 Glutamate 611 GLU_13C_3 Glutamate 611 GLU_13C_4 Glutamate 611 GLU_13C_5 Lactate 107689 C00186 LAC Lactate 107689 C00186 LAC_13C_1 Lactate 107689 C00186 LAC_13C_2 Lactate 107689 C00186 LAC_13C_3 Malate 222656 C00149 MAL Malate 222656 C00149 MAL_13C_1 Malate 222656 C00149 MAL_13C_2 Malate 222656 C00149 MAL_13C_3 Malate 222656 C00149 MAL_13C_4 Malonyl-CoA 644066 C00083 mCoA Malonyl-CoA 644066 C00083 mCoA_13C_1 Malonyl-CoA 644066 C00083 mCoA_13C_2 Malonyl-CoA 644066 C00083 mCoA_13C_3 Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD_13C_1 Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD_13C_2 Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD_13C_3 Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD_13C_4 Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD_13C_5 Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH_13C_1 Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH_13C_2 Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH_13C_3 Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH_13C_4 Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH_13C_5 Phosphoenolpyruvate 1005 C00074 PEP Phosphoenolpyruvate 1005 C00074 PEP_13C_1 Phosphoenolpyruvate 1005 C00074 PEP_13C_2 Phosphoenolpyruvate 1005 C00074 PEP_13C_3 Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P_13C_1 Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P_13C_2 Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P_13C_3 Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P_13C_4 Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P_13C_5 Sedoheptulose 7-phosphate 165007 C05382 S7P Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_1 Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_2 Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_3 Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_4 Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_5 Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_6 Sedoheptulose 7-phosphate 165007 C05382 S7P_13C_7 Sucrose 5988 C00089 SUC Sucrose 5988 C00089 SUC_13C_1 Sucrose 5988 C00089 SUC_13C_2 Sucrose 5988 C00089 SUC_13C_3 Sucrose 5988 C00089 SUC_13C_4 METABOLITES_END #END