#METABOLOMICS WORKBENCH araskind_20150410_9510721_mwtab.txt DATATRACK_ID:228 STUDY_ID:ST000154 ANALYSIS_ID:AN000245 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 Use of Aspartate Dehydrogenase by cancer cells ST:STUDY_SUMMARY The human acute lymphoblastic leukemia cell line (Jurkat) was used to isolate a ST:STUDY_SUMMARY clones based on Noxa expression. JP6 is low Noxa, JP3 is high Noxa. Furthermore, ST:STUDY_SUMMARY a Noxa expressing plasmid was tranfected and stable clones were selected for a ST:STUDY_SUMMARY Noxa high model (N5). 10E6 cells were starved of glucose (A) or glutamine (B&C) ST:STUDY_SUMMARY for 3 hours and then fed 13C 1,2 glucose (A), 15N alpha nitrogen glutamine (B) ST:STUDY_SUMMARY or 15N amide nitrogen glutamine (C) for 24 hours. Cells were washed 1X in ice ST:STUDY_SUMMARY cold PBS and resuspended in -20C methanol. Quenched cells were snap frozen and ST:STUDY_SUMMARY stored at -80. For experiment A we would like to observe the contribution of ST:STUDY_SUMMARY labeled glucose into the synthesis of amino acids, specifically glycine and ST:STUDY_SUMMARY serine. For experiment B we are most interested in the nitrogen incorporation ST:STUDY_SUMMARY into aspartate. SCB edits: This fluxomics study requires measuring amino acids ST:STUDY_SUMMARY for M, M+1, M+2, and M+3 prioritizing glycine, serine, aspartate, asparagine, ST:STUDY_SUMMARY ornithine, citrulline, then as many as possible using a diamond hydride column ST:STUDY_SUMMARY and LCMS method (see CEvans). 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 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 SU0011617 S00017122 Type:Noxa high clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011617 S00017123 Type:Noxa high clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011617 S00017124 Type:Noxa high clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011617 S00017131 Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017132 Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017133 Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017140 Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017141 Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017142 Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017128 Type:Noxa high plasmid | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011619 S00017129 Type:Noxa high plasmid | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011619 S00017130 Type:Noxa high plasmid | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011619 S00017137 Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017138 Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017139 Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017146 Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017147 Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017148 Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017125 Type:Noxa low clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011618 S00017126 Type:Noxa low clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011618 S00017127 Type:Noxa low clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011618 S00017134 Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017135 Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017136 Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017143 Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017144 Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017145 Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine #COLLECTION CO:SAMPLE_TYPE Cell Extracts 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-No_Insert.m 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 AN:PROCESSING_PARAMETERS_FILE EX00383-MassHunterQuant-DataAnalysis-Method.m #MS MS:INSTRUMENT_NAME Agilent 6520 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS LCMS #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00017122 S00017123 S00017124 S00017131 S00017132 S00017133 S00017140 S00017141 S00017142 S00017128 S00017129 S00017130 S00017137 S00017138 S00017139 S00017146 S00017147 S00017148 S00017125 S00017126 S00017127 S00017134 S00017135 S00017136 S00017143 S00017144 S00017145 Factors Type:Noxa high clone | Treatment:13C labeled glucose Type:Noxa high clone | Treatment:13C labeled glucose Type:Noxa high clone | Treatment:13C labeled glucose Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:13C labeled glucose Type:Noxa high plasmid | Treatment:13C labeled glucose Type:Noxa high plasmid | Treatment:13C labeled glucose Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine Type:Noxa low clone | Treatment:13C labeled glucose Type:Noxa low clone | Treatment:13C labeled glucose Type:Noxa low clone | Treatment:13C labeled glucose Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N amide nitrogen labeled 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 3329.8274 1110.7246 1868.9718 13921.5535 16965.4462 12747.2707 15414.5948 18840.8163 2310.2456 3668.9044 1834.8975 1414.0735 2843.0493 248.4805 4345.9978 1268.8090 1605.2351 2632.4105 1578.1325 1555.1801 18535.8802 16081.9803 16980.1823 25899.6904 33692.1241 27600.2683 3-Glycerophosphate 2094070.5410 1891527.3520 1830290.5210 2246558.1810 2199900.3480 2089632.5930 2158314.3590 2305811.0350 5893.2311 687169.4296 1869.5066 8358.0523 13721.3850 17150.7753 174248.4998 3626.7980 391.3674 4537.6845 4514575.6320 4340278.1160 1822278.3070 7187585.6660 6749155.8520 6584166.9340 9325685.9800 10039266.3800 9044818.4980 3-Glycerophosphate_13C_1 107792.4131 97464.3026 94228.6655 277.1057 302.6957 1544.9807 610.6321 599.2883 51474.2254 547.3710 2159.2122 958.9930 211.3479 61.2956 204693.0112 185559.7701 87684.6787 195.6863 2573.8846 2841.0396 4399.0780 968.3043 1081.0530 3-Glycerophosphate_13C_2 2139813.5670 1892409.3770 1824387.0540 6492.2822 10551.6535 10477.9749 3174.9239 32420.7718 1062892.9520 2702.9766 11877.1417 30568.1156 35543.8930 29167.9885 32215.9629 26718.3072 28909.9900 4261696.4010 4062573.0380 1832450.2730 7034.4285 7574.7555 2611.2065 5044.3933 9711.4479 5928.1388 3-Glycerophosphate_13C_3 37861.0962 29474.0701 32437.0824 46800.2467 41205.2137 14612.0771 3-phosphoglyceraldehyde 27471.1209 19885.7086 8215.1231 20151.6795 11256.3432 35324.4216 38547.7985 34475.6299 46373.8927 50441.3579 27679.7015 3-phosphoglyceraldehyde_13C_1 3-phosphoglyceraldehyde_13C_2 3-phosphoglyceraldehyde_13C_3 100129.6825 1402.5140 26001.9203 21290.5654 62868.0776 35023.8895 193290.8958 132079.1653 315026.4237 182446.5830 6-Phosphogluconate 9336.9402 6750.3988 2667.2129 15099.7758 14121.4682 15673.1517 14399.9958 20894.3179 4186.6926 2633.5820 3416.2039 2350.4862 2905.5868 2313.8995 3736.3340 3728.3883 5144.9800 6092.1378 5220.2975 2106.4806 5471.6586 6183.7591 6467.6291 5346.7673 11137.9994 13159.3276 10957.6082 6-Phosphogluconate_13C_1 858.5022 6-Phosphogluconate_13C_2 6-Phosphogluconate_13C_3 8.7828 6.3497 2.5089 19.6542 1.9815 5.1469 12.3783 6-Phosphogluconate_13C_4 1.9146 1.3842 0.5469 4.2845 0.4319 1.1220 2.6984 6-Phosphogluconate_13C_5 6-Phosphogluconate_13C_6 1233.5885 2262.7505 1054.3438 1790.9530 1089.0761 1345.8865 1797.8604 Acetyl-CoA 41354.9085 32282.5687 33567.3132 77004.6702 69617.4703 69035.6000 43328.0663 52387.8797 44319.7510 40668.6564 33152.1637 6922.8680 30312.4156 33297.7259 26628.7617 45374.0489 29460.9165 25488.5460 19457.7146 17054.6600 18368.3076 83055.9880 73790.6528 69806.3657 45744.4020 51104.1644 44733.3068 Acetyl-CoA_13C_1 37749.0645 27348.4716 29122.2049 58722.0125 58153.0723 55755.1773 3609.7385 2913.5792 35250.2548 8646.6543 20323.4090 31448.0150 71479.8010 49374.8012 3458.9431 35735.8148 38580.6926 31201.3167 68327.2558 66940.2346 61338.6808 6633.6664 7866.8992 6734.7179 Acetyl-CoA_13C_2 49612.4527 38769.1643 36885.3143 21591.3629 19234.0245 15669.8090 107047.9566 125468.3649 127400.8150 30029.8643 6909.3452 614.7166 27019.7781 28452.1821 26774.1519 109136.5625 91381.8023 106863.4719 33286.9201 28971.7568 32753.9885 20731.2042 17419.7805 15138.8857 154653.7187 185261.1889 152647.1703 Adenosine diphosphate 221167.5633 179151.8995 167919.3528 24727.3619 25520.7362 25026.3943 18991.3667 19864.2302 2858.8328 89378.8476 56171.1906 62409.7508 7479.7353 24646.1565 20785.0738 32216.4415 13568.9466 14239.5961 108459.7500 90475.4907 100212.9685 42597.0918 39053.5900 38251.2539 32593.4038 36287.6261 34817.9690 Adenosine diphosphate_13C_1 201735.6697 159836.9234 151987.6064 18824.9386 20808.9759 20100.7067 4000.1339 2799.2993 2571.4635 81700.0595 30126.3154 64704.2358 25272.7936 37042.4816 33787.7307 1792.3336 2927.7365 3549.6220 227313.0129 189565.8447 210821.1226 39121.6089 33749.2252 31841.6650 4445.7152 5382.2344 5264.7341 Adenosine diphosphate_13C_2 188306.6820 149000.1215 145404.0645 9414.6079 9943.9840 8146.8710 43061.6013 50161.4297 55113.5451 54051.5676 62092.5184 13799.8122 16270.8854 16902.6641 18001.5883 70983.8174 69226.1069 67431.5681 157870.4204 137436.2185 145968.8150 13392.3099 11454.1496 10059.6430 105620.3413 108677.1586 106676.4940 Adenosine diphosphate_13C_3 122990.9163 94815.7656 89605.1901 734.3440 1939.8937 3204.5349 2638.9250 2379.2778 880.2569 49261.2212 41598.0355 15652.9614 1182.4709 58.2703 1574.2768 587.0062 2737.0869 518.3073 143457.6919 119911.4416 136381.4391 861.5579 1118.9548 1334.6517 2267.9968 5814.7564 1876.0643 Adenosine diphosphate_13C_4 177293.5354 143888.6339 136061.8023 850.5673 48926.8954 23021.6361 29405.7696 137208.6343 121134.6767 127656.7331 483.9383 1481.7790 Adenosine diphosphate_13C_5 19588.9376 17509.6584 16015.7353 7164.7148 9042.6344 4156.1758 7723.0009 5455.2039 5494.1036 Adenosine monophosphate 701995.5229 604221.2141 595217.5793 64217.0220 64956.4310 59887.7448 41090.3332 40487.8449 29527.9942 285878.0811 126574.0058 58698.6745 60729.6252 69267.2548 49637.0919 62374.1135 46510.3796 55073.5599 329772.6458 310938.3092 307748.9300 97477.0000 97035.9817 90520.2400 51427.2308 55288.3752 50744.5274 Adenosine monophosphate_13C_1 632893.5474 567310.9679 549936.9202 44722.2063 44662.4514 42780.1372 5563.6844 2349.2941 3539.7592 259343.2791 24709.8743 46543.5669 64569.5073 66648.4591 67162.1299 7385.3906 6541.9302 4728.4258 674215.0400 627594.3636 642220.6220 83164.4838 75654.3826 71114.1940 8827.0354 6909.8207 7212.7134 Adenosine monophosphate_13C_2 605007.1434 540940.4900 525460.4018 20944.5187 20336.1832 18226.3655 88203.9714 89319.1484 98153.6482 171152.7316 61045.5673 27559.0672 26318.8472 30533.0368 27717.3382 114563.4173 117123.6829 111268.3103 463660.9927 444363.8009 457625.0772 25626.6035 26422.9322 25335.9388 146135.6745 150287.0366 144857.5897 Adenosine monophosphate_13C_3 380222.8896 340392.0083 338621.5180 138.7147 550.9796 1708.9259 2275.8958 1719.5727 148753.8540 62762.4500 49925.4587 2953.6521 2433.5875 4118.9001 4063.6421 3639.8107 2471.2038 439437.4983 417173.0812 416136.9499 966.8052 157.0942 1788.1710 3321.3073 3085.9751 2849.7955 Adenosine monophosphate_13C_4 597686.0581 530886.7561 518675.8086 431.1035 40.0183 352.6965 689.3178 157555.3727 9174.4594 22745.1011 190.4838 1080.9781 580.7567 3716.7887 421253.2013 387842.3718 406601.0435 1479.6977 833.4026 Adenosine monophosphate_13C_5 67074.0065 56838.3487 55035.9647 1430.2402 25443.4015 3034.1532 2754.5314 24608.7974 19793.7658 22253.7695 1525.6813 Adenosine triphosphate 92340.4195 69044.4862 67941.6797 61221.8725 59164.9249 54674.5408 40587.6631 59227.0375 14412.7559 49997.7997 24490.7233 14882.8795 23685.0225 48810.8582 65284.3169 42560.9736 23792.3208 18419.0629 41488.2816 30605.6294 37382.1763 89573.7177 68502.8386 75569.5452 70004.9115 79628.1940 73907.0227 Adenosine triphosphate_13C_1 68523.2463 51364.2610 48665.8932 45037.1891 46783.4759 43254.5280 5499.4771 7274.0760 8505.2717 36308.0534 24929.7519 4171.5132 62681.9745 64222.9694 66725.3588 4537.2588 8369.5182 7771.1543 70839.3194 56655.2477 63552.6942 71758.3749 59195.8349 64358.4395 10602.2156 9757.8449 10641.9165 Adenosine triphosphate_13C_2 64333.5307 54778.5428 54054.1790 26839.7466 25686.0328 21239.6755 109851.0513 161584.0839 134728.5675 30879.8430 18551.5627 3317.7790 32647.3102 37489.6745 32829.1184 134651.9090 112668.5582 136011.5676 50994.3822 38575.7927 45323.7288 30112.5452 24989.9600 24246.2873 220237.8782 251279.0903 230243.2445 Adenosine triphosphate_13C_3 40665.3897 30962.3696 28475.8035 1658.1079 462.2280 1730.0177 4453.3960 1368.2313 1445.7648 17944.5655 8390.2663 13614.5603 2549.1606 3090.5809 2478.9473 2554.8985 318.6569 1957.0045 40988.5148 34875.2770 39616.9350 511.5998 1813.9000 4117.5976 5462.2356 4433.8974 Adenosine triphosphate_13C_4 63113.5466 44502.8598 43276.8267 725.8847 1964.4312 20722.9565 10190.2552 5972.8778 377.6731 1021.4655 42721.0747 32825.9936 39381.1784 2302.2848 1992.3885 Adenosine triphosphate_13C_5 6470.8420 6896.4251 5248.0108 2925.7354 1610.1227 1561.9560 2318.2298 1366.1825 2246.4835 301.4526 Aspartate 728298.9003 638426.5802 631258.7841 715998.4147 708361.7355 667451.1540 1439330.0580 1582333.4190 920716.9054 24460.8004 51054.4815 17246.8374 69474.5673 28380.1813 17927.5265 66868.9870 257872.2296 250014.9895 242210.6367 270892.5718 262839.8253 254236.9011 426494.2661 469428.7379 418681.2110 Aspartate_13C_1 65580.5000 63754.0704 56821.1151 291199.8448 386112.8792 1387.2106 4110.4214 14281.3720 76185.1446 14827.6142 3654.4575 383295.8411 364571.0064 262912.0646 812.4022 7307.8069 9449.2536 21079.6181 19783.5397 23635.0219 160265.3544 65777.9688 2739.2191 2628.6108 Aspartate_13C_2 163500.7691 152769.3994 141465.3778 17663.4491 14530.4744 21372.1907 257.2793 3746.8014 234423.8720 5482.9980 11651.7034 1909.7095 4195.3460 5808.9766 2371.8597 3022.7760 3031.4748 52840.3423 51452.2344 55003.7811 5732.1132 4727.4242 40.8324 Aspartate_13C_3 41361.0802 36848.8097 35391.2028 25169.4555 22697.9661 1763.3447 1201.5831 37903.2198 4696.6681 3201.1793 2329.5203 1406.6726 1612.2625 1282.1208 1493.7575 2312.1494 15511.3181 13520.8732 16181.2098 2600.9076 2884.0429 2276.6334 1341.0330 7582.8944 Aspartate_13C_4 10630.7023 8928.7830 8985.2608 14044.7451 4036.1292 1413.4308 3605.3693 3034.7632 2671.9547 64709.9333 Citrate or Isocitrate 169399.2197 167120.4486 149121.3283 921908.3071 885506.1545 810130.2983 939653.6697 1103559.4900 78437.0172 430893.8559 36079.9915 1222.4377 67856.9735 82214.2268 2946.6337 3123.6464 79390.0415 73794.8813 161897.9638 133943.0510 152106.3674 632940.2700 572772.5384 538367.1187 812147.2605 904688.2446 784313.1766 Citrate or Isocitrate_13C_1 19502.7171 18435.5268 16619.1283 348.0862 1794.5376 354.0575 409.6459 30158.0785 5019.3999 355.6659 5787.5293 22587.9507 19314.1563 19454.9647 269.1628 669.4723 470.1765 Citrate or Isocitrate_13C_2 86832.7241 74274.8568 72010.6934 140309.4237 498.7747 876.6408 1805.6707 1359.9037 687.6070 623.9993 73821.2191 61843.2069 71226.1609 Citrate or Isocitrate_13C_3 19682.7695 17483.8664 15479.8814 415.2070 664.9058 316.6596 765.8367 20965.2451 8288.1484 1747.4532 2276.8812 3297.6133 2085.0863 2573.9775 1972.0191 20454.0483 17400.5509 19362.7612 732.8596 830.7435 849.8741 2207.8276 1879.0502 1921.6957 Citrate or Isocitrate_13C_4 28721.1254 20970.0957 17873.9598 55.5762 4686.3903 32849.0378 7517.6917 1738.2735 22070.0343 20746.5002 22644.0796 5044.3643 22.0223 Citrate or Isocitrate_13C_5 5003.4280 4568.7205 3994.2498 3055.1336 1189.8284 4297.7765 3836.8513 3767.3095 Citrate or Isocitrate_13C_6 2495.0534 1323.1755 2524.6524 1774.0998 1266.2250 1798.6399 3510.1154 1111.7535 1027.8156 2153.6533 1187.3350 Erythrose 4-phosphate 3186.1052 4260.1644 15663.5639 48833.3014 45988.4253 36782.2559 41434.6496 41997.4925 16501.8929 6407.2985 2743.0401 10509.4975 9726.7064 6871.5307 10268.6642 10980.3278 16582.4877 27372.3274 3449.7857 20470.3021 4476.0116 46612.3470 42434.4838 41411.9851 46426.2004 50594.6707 43689.7205 Erythrose 4-phosphate_13C_1 Erythrose 4-phosphate_13C_2 Erythrose 4-phosphate_13C_3 Erythrose 4-phosphate_13C_4 Fructose 1_6-bisphosphate 3577.9375 17531.2557 35786.4278 111884.3152 83021.6153 71409.5508 77529.6255 112652.3861 54220.9196 54142.2931 11498.8531 2877.3691 100536.8287 68241.9841 17125.7117 50128.7712 79724.4912 14578.1752 19325.3096 10442.5783 12032.3041 330176.0267 292719.0982 295558.7239 476663.9530 551574.9675 561482.3180 Fructose 1_6-bisphosphate_13C_1 490.4338 425.5656 603.2284 6554.3219 3896.1110 2350.1074 513.7349 571.4129 1230.6043 12.6764 812.8625 4644.2023 535.6186 2603.2872 Fructose 1_6-bisphosphate_13C_2 3376.0302 4692.3852 1986.8795 4689.8110 4993.7826 2810.6655 9242.5437 2978.4056 29.3566 1261.3483 107.4803 841.9109 7643.2792 6992.1827 6611.3544 3511.8493 2080.3572 2452.2892 4623.2060 2555.1465 1681.0095 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 47497.3110 41243.4914 43542.5700 118615.2930 122677.3332 113592.9270 130979.2179 140339.5508 11535.9869 32278.5887 20616.8262 9442.0951 23371.7749 5198.7154 8041.4200 13166.6708 26214.8613 31854.0154 26037.2335 29458.0709 234452.7976 238428.9241 202585.2720 378915.6075 444150.4439 387673.5276 Glucose 6-phosphate or fructose-6-phosphate_13C_1 1463.5293 954.5298 865.4301 1264.3826 1467.1237 772.8263 6612.2571 1056.8267 2706.4213 5087.8020 7226.6880 2466.3603 4098.0824 6763.4500 7069.9224 5630.3549 4606.9656 746.0697 224.9161 501.9547 1337.1960 2702.8615 Glucose 6-phosphate or fructose-6-phosphate_13C_2 78118.6089 69390.3769 66299.6595 748.2061 3104.6880 3035.3417 55404.5762 24211.4848 10505.5715 783.3831 3070.6998 3368.7245 3522.1058 617.1459 140208.6993 141210.5523 118704.1431 934.2446 1571.2691 2082.3618 257.6144 Glucose 6-phosphate or fructose-6-phosphate_13C_3 196.1160 521.6952 267.9924 4043.2905 4978.5887 5355.2277 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 30903013.0400 28764413.2000 27741453.7300 13382381.8500 13035902.0200 12519545.6400 27757160.5700 30283026.9200 25338102.0300 2574244.3100 2939673.6950 2085310.0510 2836911.2330 2272464.6190 1617720.8870 1541858.5870 28985496.6800 27683301.2100 27666044.5200 14813697.6700 13942003.7500 13690462.6600 30709788.4100 32328497.9200 29119352.2200 Glutamate_13C_1 1516378.5720 1379854.8580 1330263.1880 13738345.8000 13343145.6900 12823998.5300 1265.9143 1051045.1830 102459.7503 101748.1242 13617388.6000 13801507.4300 12636162.8400 2103201.4980 2004333.6590 2034964.3560 13655376.2800 12980739.4300 12761245.2300 Glutamate_13C_2 5990757.0970 5505911.7380 5317707.5020 54841.6376 71864.9423 53781.2491 5013800.1820 503125.8021 533871.0215 113139.3053 71366.4767 34857.7158 32817.9114 9649.5813 7054118.5890 6766819.9870 6782533.4250 70525.0610 52081.5224 Glutamate_13C_3 1284404.7430 1175936.7060 1129568.1800 2946.5488 1620.7884 54.1922 741780.1954 71689.2724 3622.0710 3234.5778 2862.5199 1729246.6780 1651673.6800 1676711.6370 3076.9226 2084.2116 Glutamate_13C_4 1018662.7220 918377.6717 908311.5990 1821.5325 736.3479 797448.4195 80512.9432 90922.3174 2190.1830 1295602.5230 1247495.5890 1226825.8190 184.6057 Glutamate_13C_5 192987.2323 178391.0020 173032.5184 103906.8009 11868.8737 704.5626 259230.0955 248084.3684 248251.3271 Lactate 133907.3704 145273.7167 146118.1242 253456.6976 228665.5765 305619.7798 212255.7028 234243.5393 118149.7539 108198.2416 111523.0593 99636.5276 273137.7073 441955.6526 263173.1125 259897.4446 266120.3873 243553.9244 Lactate_13C_1 8490.8419 9374.1681 5495.7383 472.1256 1476.3436 858.9067 261.4454 4314.8598 3078.1366 4476.1428 3942.4297 1167.8815 4356.2522 3094.8698 1717.4298 Lactate_13C_2 136972.0545 118118.9535 121100.8146 82134.7612 85898.2176 64447.8291 127119.3705 428.3881 Lactate_13C_3 2566.2026 508.4665 1914.8791 485.8799 585.6779 72.3385 Malate 2154523.6660 1795729.3300 1714110.5000 4645515.2360 4294976.6640 4026251.2880 4460432.8450 5097812.2790 4499.3975 2566065.8370 2241950.0680 1327178.3270 240640.7947 114994.4501 2878.1251 1822738.0880 1706023.3880 1648131.7650 2638516.2630 2430223.4500 2306824.7460 3000355.6530 3485768.1210 2744931.8850 Malate_13C_1 241706.1579 199141.4563 191107.7147 285.5374 3607.1338 4755.7501 26754.8098 182925.9079 164003.5271 175746.5457 8031.4140 12498.8325 1258.9610 12171.1022 25469.3659 20084.2436 245502.7563 232516.9699 238220.4399 3461.4340 2456.6228 2169.4473 4999.7643 Malate_13C_2 560130.5063 476626.3072 458490.7366 868.6831 971.3081 1286.8573 2298.5842 3649.1821 21832.1389 625263.4321 529715.9978 569374.4087 19151.7328 21890.9448 33268.4585 5848.6296 21486.4670 15170.5472 541245.7077 518213.5791 492088.5291 1095.2772 1946.4615 1690.1525 2794.8790 Malate_13C_3 116143.3273 99924.6393 95100.8484 608.9590 344.8693 66693.5066 15163.1439 41388.7785 1129.1707 656.8262 994.3951 1500.0374 773.1068 115786.1837 111804.8801 104348.4546 Malate_13C_4 37247.9811 30649.9184 27222.3783 1045.7880 40453.0018 36191.5143 33215.4807 37558.1531 37762.6223 33426.6934 3225.0592 Malonyl-CoA 4494.1547 2819.8768 2484.7556 7860.0759 6681.3948 7283.0494 3911.3927 7913.0195 1800.0252 1622.5919 1110.2575 330.7032 3114.3555 407.3959 1000.7980 1807.0495 2162.2885 1506.4117 18762.0609 307.4227 571.1502 7854.8288 6954.5657 5160.7711 4957.7458 4970.8754 4628.9230 Malonyl-CoA_13C_1 4512.3284 2606.1019 3717.9716 7653.2373 6025.7086 6303.9673 545.4402 331.3022 1583.7666 826.1721 3038.0476 4028.6303 3759.2434 4095.6571 2600.5693 7931.9810 4291.8380 6899.8277 228.6693 10.6488 Malonyl-CoA_13C_2 4550.0166 2075.7933 3234.3382 685.8199 321.3088 1088.4340 11982.3366 15272.1427 15073.3668 45042.4797 1161.7758 482.1279 240.3209 727.9058 4506.4775 3370.4311 7671.7637 550.3946 648.2110 1576.5499 2312.1388 255.5114 18043.6764 22205.3671 18804.6463 Malonyl-CoA_13C_3 3278.7027 3442.4718 3373.3909 15785.2125 15505.6388 1522.4499 945.1786 531.1456 1373.8952 25.2561 85.8560 1838.2446 3030.2214 693.3251 17880.2093 256.8513 Nicotinamide Adenine Dinucleotide oxidized 104855.3479 95234.7530 95690.5370 467396.8552 447098.8034 450853.7102 187053.8058 192481.1207 158095.0693 82269.2294 85113.2162 78844.7673 295324.3107 290314.0099 360983.9326 68009.0767 367030.2346 274173.0773 65253.0344 59383.8426 62967.4402 702877.3634 669584.3573 637784.2154 168684.2114 170947.3481 180853.3371 Nicotinamide Adenine Dinucleotide oxidized_13C_1 154352.1961 141797.9078 137939.2743 278508.7540 277859.0427 264549.7262 124084.3468 124332.8366 147588.8534 118905.0555 103274.1785 62875.6602 214558.5458 243665.1697 186125.0543 64336.8891 13548.5260 29163.8806 115829.9927 107911.0317 116506.1316 457918.3637 446883.5802 423868.7631 213668.8452 227867.1246 227823.5227 Nicotinamide Adenine Dinucleotide oxidized_13C_2 250776.7987 226060.2444 228144.1402 115137.1513 112993.0126 104929.7215 289220.4425 292490.6237 318125.5090 125114.9023 106703.7406 136959.0637 75142.0129 92574.6166 90491.1460 330796.8565 352168.7575 332298.0185 223428.9449 209109.7125 218050.6054 158449.5490 154665.9151 151801.7607 307939.3336 328059.2802 327279.8651 Nicotinamide Adenine Dinucleotide oxidized_13C_3 256687.8766 236082.7798 235774.5714 4935.4397 6713.7894 5762.1380 229264.1921 237850.1666 263399.9463 121973.5503 25689.6367 66035.5530 9991.9230 7193.7866 8989.8068 9032.7061 11578.9186 14620.3860 260591.4351 238635.1151 250405.7098 8963.5723 10512.3718 8322.5017 553982.6105 580753.3818 603348.0335 Nicotinamide Adenine Dinucleotide oxidized_13C_4 334212.1815 302447.4494 303410.5452 1688.2322 2116.3897 374.2918 7707.1927 3771.3109 3846.7444 141882.7161 90086.5910 101423.1490 1704.9418 277.8662 145.9789 436.7721 1294.5753 403.7841 305928.0099 287196.3510 307708.1649 204.4535 876.1376 14014.6734 16843.7542 10959.2928 Nicotinamide Adenine Dinucleotide oxidized_13C_5 271455.5639 248515.6166 249921.9320 2659.5364 3473.4811 3203.5145 105771.1580 64199.3539 76465.0055 290511.2015 265648.3037 277467.2786 956.3662 2460.0743 1615.6373 940.5132 Nicotinamide Adenine Dinucleotide reduced 69511.8953 60324.8246 60054.4981 544816.2672 562918.0640 439576.2905 239240.1138 257529.9480 177078.6106 47203.1192 25079.4303 30958.7858 368300.6972 370525.8922 348746.5594 289647.6810 122837.8442 312872.0314 84182.1862 76344.2355 79298.8409 900766.7314 861146.9886 854312.6209 253584.2411 284428.4523 260197.5831 Nicotinamide Adenine Dinucleotide reduced_13C_1 100595.0521 89491.1596 89100.8033 326264.0977 342653.7349 263194.9504 160500.0794 165699.5113 144460.5149 64634.1439 64229.6096 18679.7892 235755.0541 265654.5618 219312.9745 7469.9262 87261.2631 145039.8800 136233.6118 139478.1150 597979.0845 574002.7127 582328.1082 339184.0674 369052.1345 327424.1720 Nicotinamide Adenine Dinucleotide reduced_13C_2 164652.2542 139744.7824 136585.3116 127768.3385 132867.9678 101495.0300 359872.6400 390087.1874 310486.8208 73767.7473 75281.8588 31861.6825 98656.7636 97316.6466 112015.8961 368491.0940 379728.9543 371277.2615 285482.8561 251966.0644 265693.5074 199494.3047 190218.7665 191346.3151 479322.2443 532984.4439 479340.0689 Nicotinamide Adenine Dinucleotide reduced_13C_3 167531.2627 146903.3928 144034.8626 12090.7622 11776.0246 8019.7778 299307.7646 307611.6926 258340.4985 74842.3759 72565.9766 28137.0469 11591.5379 9791.2981 9116.1924 9396.3091 14594.5025 10740.1000 320139.3930 289645.1567 299849.5368 8449.5527 15276.6335 11309.0070 873600.2433 951904.6788 861481.8689 Nicotinamide Adenine Dinucleotide reduced_13C_4 219667.4287 188037.8482 178318.7826 273.1484 1170.5945 1114.7272 5386.1208 9137.5756 9815.6703 82854.6767 43747.6063 61493.8715 1377.9099 1057.1090 2601.7020 1087.3498 1114.3446 395309.8487 355444.9906 375992.1151 290.2587 15163.5889 20653.8973 13496.9580 Nicotinamide Adenine Dinucleotide reduced_13C_5 171932.3227 142609.5061 148349.1768 657.0200 810.3421 1486.9612 3587.8434 2395.3342 26.0850 55939.3786 63997.5143 15634.1647 90.5824 498.2951 355518.7790 327597.7258 345295.4642 227.4567 3085.2984 3618.1336 4007.1724 Phosphoenolpyruvate 1008.5233 1125.6193 1078.3990 6426.9937 6159.8173 4930.9588 8433.2216 7567.0529 2063.1816 2202.8489 1354.0894 1053.0219 1539.8431 5619.7682 5025.2006 5385.4619 6937.4474 8239.7093 5609.3474 Phosphoenolpyruvate_13C_1 Phosphoenolpyruvate_13C_2 Phosphoenolpyruvate_13C_3 Ribose-5-phosphate or xylulose 5-phosphate 2267.1650 1156.0311 27421.1742 27071.1435 22364.4192 18997.9672 20361.0291 3564.9725 2446.8035 1079.6616 7380.0095 15613.2949 6368.7239 10478.2298 4344.5172 5558.5350 1582.5700 2319.8973 121026.7378 92162.9861 95037.6869 102928.6828 106951.5884 107906.9058 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 0.9083 1.3315 Ribose-5-phosphate or xylulose 5-phosphate_13C_4 0.2191 0.3212 Ribose-5-phosphate or xylulose 5-phosphate_13C_5 6432.4738 2745.4527 1340.0306 Sedoheptulose 7-phosphate 23031.9624 18973.3344 19598.0314 28285.7382 27578.6818 28012.3342 25526.5019 28495.3413 12835.7569 6266.8673 7022.5904 3709.2894 12805.3083 4213.0841 2361.5675 1113.9779 11830.5231 10372.6945 81458.8171 76280.6620 82640.7720 152089.9538 140787.7334 140627.1408 227199.0619 245606.8779 221194.5551 Sedoheptulose 7-phosphate_13C_1 2903.6048 1034.3258 1929.9811 10974.1392 9422.7316 7708.5951 242.3483 193.0431 551.6763 Sedoheptulose 7-phosphate_13C_2 25105.0558 23134.9743 19250.4484 7588.9075 5310.6959 3885.5764 112090.2060 96639.6141 93782.4210 Sedoheptulose 7-phosphate_13C_3 3814.9751 3876.0967 3403.3452 5.2187 10.5572 788.8611 16373.4717 13932.9954 13596.1090 Sedoheptulose 7-phosphate_13C_4 6391.8244 5985.6541 5598.7920 6.9187 6.4601 2237.1694 24571.6341 22482.6180 22099.4395 Sedoheptulose 7-phosphate_13C_5 1771.5563 1626.4933 1232.6829 2237.5381 1829.8030 11291.9447 8554.3376 7367.1396 Sedoheptulose 7-phosphate_13C_6 Sedoheptulose 7-phosphate_13C_7 Sucrose 212258.8457 162449.9900 190746.2894 167948.8268 165968.6426 159707.9653 210293.1370 239679.6920 5924.1149 311965.9829 411164.7993 395838.4731 21686.1483 1486.6557 6208.1237 3513.9731 10542.4302 3035.5525 198856.0194 220259.2394 219945.9769 95494.8757 90405.5826 81821.5838 132604.2807 134428.8544 111959.7784 Sucrose_13C_1 21911.9885 28222.6509 26843.7968 768.1788 281.7650 559.4811 576.1076 1540.1506 30284.8479 29200.7408 33906.2623 1708.3605 2138.7399 3501.8125 3210.6358 40031.0595 26874.4249 24714.8874 16.2645 301.8305 Sucrose_13C_2 46172.6883 51032.5838 Sucrose_13C_3 1808.2694 7854.3186 8468.6294 5438.1465 13738.7034 4843.4917 Sucrose_13C_4 34498.8726 19260.2745 9837.3118 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