#METABOLOMICS WORKBENCH araskind_20150607_9177821_mwtab.txt DATATRACK_ID:278 STUDY_ID:ST000181 ANALYSIS_ID:AN000279 PROJECT_ID:PR000153 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Graft-Versus-Host Disease PR:PROJECT_SUMMARY T cell metabolism during graft-versus-host disease PR:INSTITUTE University of Michigan PR:DEPARTMENT Pediatrics PR:LABORATORY Ferrara lab PR:LAST_NAME Byersdorfer PR:FIRST_NAME Craig PR:ADDRESS Ann Arbor, MI PR:EMAIL craigbye@med.umich.edu PR:PHONE 734-000-0000 #STUDY ST:STUDY_TITLE T cell metabolism during graft-versus-host disease(CAB 311) ST:STUDY_TYPE T cells were injected into animals to model graft-versus-host disease ST:STUDY_SUMMARY T cells were injected into animals to model graft-versus-host disease 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 - ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 8 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0004280 S00015090 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004280 S00015091 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004280 S00015092 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004280 S00015093 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004279 S00015086 Treatment:GVHD SUBJECT_SAMPLE_FACTORS SU0004279 S00015087 Treatment:GVHD SUBJECT_SAMPLE_FACTORS SU0004279 S00015088 Treatment:GVHD SUBJECT_SAMPLE_FACTORS SU0004279 S00015089 Treatment:GVHD #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cells #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Fluxomics_analysis_protocol-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) CH:METHODS_ID AQM020 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm.m.zip AN:PROCESSING_PARAMETERS_FILE EX00316-MassHunterQuant-GlyTCA-flux-DataAnalysis-LCMS-Method.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 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 S00015090 S00015091 S00015092 S00015093 S00015086 S00015087 S00015088 S00015089 Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:GVHD Treatment:GVHD Treatment:GVHD Treatment:GVHD 2 or 3-phosphoglycerate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2 or 3-phosphoglycerate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2 or 3-phosphoglycerate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2 or 3-phosphoglycerate_2PG/3PG 21762.9795 989.1510 724.0710 2905.6926 1593.7505 5422.7833 1624.2305 14725.1516 3-Glycerophosphate 3982.1377 6715.0894 5659.6415 7098.3403 18218.0675 16884.1126 15330.2463 22146.3358 3-Glycerophosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-Glycerophosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-Glycerophosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-phosphoglyceraldehyde 4566.6221 5776.2671 5492.4343 5935.6493 21899.8222 22471.9255 18149.5539 24613.9544 3-phosphoglyceraldehyde_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-phosphoglyceraldehyde_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-phosphoglyceraldehyde_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate 0.0000 0.0000 0.0000 525.5925 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Acetyl-CoA 2037.3771 0.0000 0.0000 0.0000 0.0000 302.2195 0.0000 0.0000 Acetyl-CoA_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Acetyl-CoA_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine diphosphate_13C_1 0.0000 1434.2813 0.0000 15.0584 1632.0183 1392.5993 769.9298 2644.5406 Adenosine diphosphate_13C_2 2055.1685 705.3532 2338.1919 410.5324 1209.5038 556.3715 2024.6535 1680.5026 Adenosine diphosphate_13C_3 953.0750 575.6912 458.8347 0.0000 0.0000 233.5605 376.6399 1006.7307 Adenosine diphosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine diphosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine monophosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6518.1647 Adenosine monophosphate_13C_2 0.0000 324.7020 1555.4058 1321.0362 2134.8825 0.0000 1378.3583 0.0000 Adenosine monophosphate_13C_3 2984.6858 2157.3681 2858.4639 0.0000 4045.4210 4852.1478 4690.6913 3141.3142 Adenosine monophosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine monophosphate_13C_5 0.0000 0.0000 0.0000 0.0000 131.9932 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 330.8098 Adenosine triphosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ADP 124090.1417 132836.6269 163825.2598 111201.7781 137253.5570 142724.4827 182095.5071 191067.3774 AMP 1055634.6880 1282817.2330 1597156.7780 1328807.4100 1757823.1170 1859026.6210 2598622.0570 2186649.7610 Aspartate 123186.7191 151084.5018 190613.6922 149043.0056 602278.3200 541691.8208 469681.5946 640477.5838 Aspartate_13C_1 30164.4545 33570.2395 46756.6220 30122.0589 50272.9109 45691.0842 59995.7719 52977.0008 Aspartate_13C_2 58805.6867 71266.6508 89502.5976 69429.8782 183933.1068 164871.2169 168588.0657 185828.6120 Aspartate_13C_3 47251.4584 56252.0205 65485.8599 54172.7108 86504.8461 79417.6733 99451.7547 85560.1090 Aspartate_13C_4 17600.6257 19326.2837 23150.2475 21878.8045 24866.6923 19275.9835 35854.9162 24495.9852 ATP 35900.7660 29892.8235 36277.4183 35268.1121 34965.2103 34859.8231 45094.0963 44378.5664 Citrate or Isocitrate 331045.6130 204779.5997 206253.9573 322843.5634 519498.7517 416663.5594 356851.6892 537216.2197 Citrate or Isocitrate_13C_1 1657.5854 4443.5692 5689.2441 3480.6034 8266.4403 8357.5100 11389.5412 7917.1923 Citrate or Isocitrate_13C_2 12218.6723 19281.4213 19457.1093 14930.9815 39278.0570 38104.7293 33981.9072 39913.3646 Citrate or Isocitrate_13C_3 9222.1729 12017.7199 14432.9888 13137.4376 16089.5379 15777.3656 19457.5956 19295.2037 Citrate or Isocitrate_13C_4 4695.3553 17211.0416 21224.7000 16233.5026 17926.5520 17584.7387 26067.0478 19057.6206 Citrate or Isocitrate_13C_5 12809.2977 12172.9709 14465.8929 13989.0731 12854.8729 11071.0841 22898.7476 14288.6859 Citrate or Isocitrate_13C_6 78169.0604 31707.6935 25806.3612 37427.3698 31307.1726 34889.0021 41365.5649 63598.0938 Erythrose 4-phosphate 1714.7774 0.0000 0.0000 1066.2997 0.0000 2382.4503 0.0000 1007.7869 Erythrose 4-phosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Erythrose 4-phosphate_13C_2 257.1651 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2091.5838 Erythrose 4-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Erythrose 4-phosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate 51262.1832 21470.5406 23483.5603 32400.5278 58218.0217 66718.0388 50072.6023 100033.6384 Fructose 1_6-bisphosphate_13C_1 1032.0385 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 304.7840 Fructose 1_6-bisphosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 1276.5168 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate 93323.9562 29757.5282 33285.8581 47782.0984 93549.3190 95355.2909 67136.7364 140326.6906 Glucose 6-phosphate or fructose-6-phosphate_13C_1 771.3301 0.0000 1371.7252 423.2414 1928.1567 0.0000 0.0000 3886.2772 Glucose 6-phosphate or fructose-6-phosphate_13C_2 0.0000 71.0334 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 517.4278 0.0000 Glucose 6-phosphate or fructose-6-phosphate_13C_4 20.2925 0.0000 2251.2687 10.4084 21.1015 19.5773 1865.7165 18.1249 Glucose 6-phosphate or fructose-6-phosphate_13C_5 697.2800 0.0000 0.0000 0.4176 187.1270 0.5183 239.7869 670.6063 Glucose 6-phosphate or fructose-6-phosphate_13C_6 5787.8661 0.0000 0.0000 741.0946 523.5606 855.7385 1061.3337 4469.3017 Glutamate 99321.2209 105058.1222 140669.8842 112761.0681 255431.2875 239643.5445 213620.4285 295521.7823 Glutamate_13C_1 15553.9551 17691.7916 22639.0919 15953.1985 21771.5736 18583.3129 26254.2631 25052.0981 Glutamate_13C_2 43505.7532 54442.5535 69309.7603 52801.2393 83176.1892 80288.3828 94747.4112 88613.0899 Glutamate_13C_3 25367.1569 26369.1709 35535.6459 28323.9368 29040.1483 27158.1126 40988.4093 28398.9253 Glutamate_13C_4 23485.3751 23495.8588 30963.8881 26177.9008 25181.3449 26342.5264 37370.4846 30781.9675 Glutamate_13C_5 11318.5312 11025.8737 14298.9526 12729.2124 8632.3940 7247.7630 16647.8806 7960.0440 Lactate 2800.0059 3321.7692 3567.6210 4267.4737 10101.3709 9332.6002 6963.0379 6868.0236 Lactate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Lactate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Lactate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malate 105629.7617 95791.1615 118650.6059 110233.4710 219429.6383 210531.6007 186524.2361 234231.4308 Malate_13C_1 19183.6292 20174.8542 28295.1043 19926.6971 30873.2633 30232.6449 34362.5093 32190.4758 Malate_13C_2 44177.1755 54915.1612 62859.4276 58469.6156 86369.1162 84470.2546 90997.3251 88166.4672 Malate_13C_3 29182.6741 30901.1994 37613.6154 38294.4281 36196.9064 35079.0468 50344.7204 40823.0097 Malate_13C_4 16252.0254 17989.2357 16984.6843 20181.9979 12725.5419 12815.9728 24085.9901 13335.4867 Malonyl-CoA 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malonyl-CoA_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malonyl-CoA_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malonyl-CoA_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate 462.2188 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 478.5943 Phosphoenolpyruvate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Ribose-5-phosphate or xylulose 5-phosphate 32347.5298 26761.8166 27434.3682 30030.6955 116996.3947 102360.0995 61435.7404 119744.2970 Ribose-5-phosphate or xylulose 5-phosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 143.9175 Ribose-5-phosphate or xylulose 5-phosphate_13C_2 433.4818 0.0000 0.0000 0.0000 1838.0809 2702.0171 1616.1164 3238.7277 Ribose-5-phosphate or xylulose 5-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Ribose-5-phosphate or xylulose 5-phosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 434.7068 0.0000 560.5845 Ribose-5-phosphate or xylulose 5-phosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate 16489.3017 4447.6428 3660.5137 3574.6978 20680.6669 21158.6187 13506.7237 28577.1177 Sedoheptulose 7-phosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_7 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose 1464.2102 647.6455 579.1389 1643.2667 1777.6436 0.0000 1045.4676 715.5546 Sucrose_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 2 or 3-phosphoglycerate_13C_1 724 2PG/3PG_13C_1 UM_Target_ID 2 or 3-phosphoglycerate_13C_2 724 2PG/3PG_13C_2 UM_Target_ID 2 or 3-phosphoglycerate_13C_3 724 2PG/3PG_13C_3 UM_Target_ID 2 or 3-phosphoglycerate_2PG/3PG 724 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 729 G3P UM_Target_ID 3-phosphoglyceraldehyde_13C_1 729 G3P_13C_1 UM_Target_ID 3-phosphoglyceraldehyde_13C_2 729 G3P_13C_2 UM_Target_ID 3-phosphoglyceraldehyde_13C_3 729 G3P_13C_3 UM_Target_ID 6-Phosphogluconate 91493 6PG UM_Target_ID 6-Phosphogluconate_13C_1 91493 6PG_13C_1 UM_Target_ID 6-Phosphogluconate_13C_2 91493 6PG_13C_2 UM_Target_ID 6-Phosphogluconate_13C_3 91493 6PG_13C_3 UM_Target_ID 6-Phosphogluconate_13C_4 91493 6PG_13C_4 UM_Target_ID 6-Phosphogluconate_13C_5 91493 6PG_13C_5 UM_Target_ID 6-Phosphogluconate_13C_6 91493 6PG_13C_6 UM_Target_ID Acetyl-CoA 444493 aCoA UM_Target_ID Acetyl-CoA_13C_1 444493 aCoA_13C_1 UM_Target_ID Acetyl-CoA_13C_2 444493 aCoA_13C_2 UM_Target_ID Adenosine diphosphate_13C_1 6022 ADP_13C_1 UM_Target_ID Adenosine diphosphate_13C_2 6022 ADP_13C_2 UM_Target_ID Adenosine diphosphate_13C_3 6022 ADP_13C_3 UM_Target_ID Adenosine diphosphate_13C_4 6022 ADP_13C_4 UM_Target_ID Adenosine diphosphate_13C_5 6022 ADP_13C_5 UM_Target_ID Adenosine monophosphate_13C_1 6083 AMP_13C_1 UM_Target_ID Adenosine monophosphate_13C_2 6083 AMP_13C_2 UM_Target_ID Adenosine monophosphate_13C_3 6083 AMP_13C_3 UM_Target_ID Adenosine monophosphate_13C_4 6083 AMP_13C_4 UM_Target_ID Adenosine monophosphate_13C_5 6083 AMP_13C_5 UM_Target_ID Adenosine triphosphate_13C_1 5957 ATP_13C_1 UM_Target_ID Adenosine triphosphate_13C_2 5957 ATP_13C_2 UM_Target_ID Adenosine triphosphate_13C_3 5957 ATP_13C_3 UM_Target_ID Adenosine triphosphate_13C_4 5957 ATP_13C_4 UM_Target_ID Adenosine triphosphate_13C_5 5957 ATP_13C_5 UM_Target_ID ADP 6022 ADP UM_Target_ID AMP 6083 AMP UM_Target_ID Aspartate 424 ASP UM_Target_ID Aspartate_13C_1 424 ASP_13C_1 UM_Target_ID Aspartate_13C_2 424 ASP_13C_2 UM_Target_ID Aspartate_13C_3 424 ASP_13C_3 UM_Target_ID Aspartate_13C_4 424 ASP_13C_4 UM_Target_ID ATP 5957 ATP UM_Target_ID Citrate or Isocitrate 311 CIT/ICIT UM_Target_ID Citrate or Isocitrate_13C_1 311 CIT/ICIT_13C_1 UM_Target_ID Citrate or Isocitrate_13C_2 311 CIT/ICIT_13C_2 UM_Target_ID Citrate or Isocitrate_13C_3 311 CIT/ICIT_13C_3 UM_Target_ID Citrate or Isocitrate_13C_4 311 CIT/ICIT_13C_4 UM_Target_ID Citrate or Isocitrate_13C_5 311 CIT/ICIT_13C_5 UM_Target_ID Citrate or Isocitrate_13C_6 311 CIT/ICIT_13C_6 UM_Target_ID Erythrose 4-phosphate 122357 E4P UM_Target_ID Erythrose 4-phosphate_13C_1 122357 E4P_13C_1 UM_Target_ID Erythrose 4-phosphate_13C_2 122357 E4P_13C_2 UM_Target_ID Erythrose 4-phosphate_13C_3 122357 E4P_13C_3 UM_Target_ID Erythrose 4-phosphate_13C_4 122357 E4P_13C_4 UM_Target_ID Fructose 1,6-bisphosphate 21125049 FBP UM_Target_ID Fructose 1,6-bisphosphate_13C_1 21125049 FBP_13C_1 UM_Target_ID Fructose 1,6-bisphosphate_13C_2 21125049 FBP_13C_2 UM_Target_ID Fructose 1,6-bisphosphate_13C_3 21125049 FBP_13C_3 UM_Target_ID Fructose 1,6-bisphosphate_13C_4 21125049 FBP_13C_4 UM_Target_ID Fructose 1,6-bisphosphate_13C_5 21125049 FBP_13C_5 UM_Target_ID Fructose 1,6-bisphosphate_13C_6 21125049 FBP_13C_6 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_1 5958 G6P/F6P_13C_1 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_2 5958 G6P/F6P_13C_2 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_3 5958 G6P/F6P_13C_3 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_4 5958 G6P/F6P_13C_4 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_5 5958 G6P/F6P_13C_5 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_6 5958 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 612 LAC UM_Target_ID Lactate_13C_1 612 LAC_13C_1 UM_Target_ID Lactate_13C_2 612 LAC_13C_2 UM_Target_ID Lactate_13C_3 612 LAC_13C_3 UM_Target_ID Malate 525 MAL UM_Target_ID Malate_13C_1 525 MAL_13C_1 UM_Target_ID Malate_13C_2 525 MAL_13C_2 UM_Target_ID Malate_13C_3 525 MAL_13C_3 UM_Target_ID Malate_13C_4 525 MAL_13C_4 UM_Target_ID Malonyl-CoA 10663 mCoA UM_Target_ID Malonyl-CoA_13C_1 10663 mCoA_13C_1 UM_Target_ID Malonyl-CoA_13C_2 10663 mCoA_13C_2 UM_Target_ID Malonyl-CoA_13C_3 10663 mCoA_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_1 15938971 NAD_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_2 15938971 NAD_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_3 15938971 NAD_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_4 15938971 NAD_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_5 15938971 NAD_13C_5 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 NADH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_1 439153 NADH_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_2 439153 NADH_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_3 439153 NADH_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_4 439153 NADH_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_5 439153 NADH_13C_5 UM_Target_ID Phosphoenolpyruvate 1005 PEP UM_Target_ID Phosphoenolpyruvate_13C_1 1005 PEP_13C_1 UM_Target_ID Phosphoenolpyruvate_13C_2 1005 PEP_13C_2 UM_Target_ID Phosphoenolpyruvate_13C_3 1005 PEP_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_1 77982 R5P/X5P_13C_1 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_2 77982 R5P/X5P_13C_2 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_3 77982 R5P/X5P_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_4 77982 R5P/X5P_13C_4 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_5 77982 R5P/X5P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate 165007 S7P UM_Target_ID Sedoheptulose 7-phosphate_13C_1 165007 S7P_13C_1 UM_Target_ID Sedoheptulose 7-phosphate_13C_2 165007 S7P_13C_2 UM_Target_ID Sedoheptulose 7-phosphate_13C_3 165007 S7P_13C_3 UM_Target_ID Sedoheptulose 7-phosphate_13C_4 165007 S7P_13C_4 UM_Target_ID Sedoheptulose 7-phosphate_13C_5 165007 S7P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate_13C_6 165007 S7P_13C_6 UM_Target_ID Sedoheptulose 7-phosphate_13C_7 165007 S7P_13C_7 UM_Target_ID Sucrose 5988 SUC UM_Target_ID Sucrose_13C_1 5988 SUC_13C_1 UM_Target_ID Sucrose_13C_2 5988 SUC_13C_2 UM_Target_ID Sucrose_13C_3 5988 SUC_13C_3 UM_Target_ID Sucrose_13C_4 5988 SUC_13C_4 UM_Target_ID METABOLITES_END #END