#METABOLOMICS WORKBENCH efahy_20230425_000057 DATATRACK_ID:3954 STUDY_ID:ST002635 ANALYSIS_ID:AN004307 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Hippocampus ST:STUDY_TITLE Powder - Untargeted Ion-Pair Negative ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Burant ST:FIRST_NAME Charles ST:ADDRESS 6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714 ST:EMAIL burantc@med.umich.edu ST:PHONE (734) 232-0842 ST:SUBMIT_DATE 2019-09-19 ST:NUM_GROUPS 65 ST:TOTAL_SUBJECTS 50 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CS00000MP-01 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191122-EX00979-A043-IN0030-CS00000MP-01-N.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191122-EX00979-A043-IN0030-CS00000MP-02-N.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-03 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- 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raw_file=20191122-EX00979-A043-IN0030-S00042176-90578015206-N.zip SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581015206 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191122-EX00979-A043-IN0030-S00042177-90581015206-N.zip SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585015206 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191122-EX00979-A043-IN0030-S00042178-90585015206-N.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587015206 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191122-EX00979-A043-IN0030-S00042179-90587015206-N.zip #COLLECTION CO:SAMPLE_TYPE Hippocampus #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See SOP SP:SAMPLEPREP_PROTOCOL_FILENAME MiCAS_SOP002_Sample Preparation and Extraction_v3_20190904.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent ZORBAX RRHD Extend 80Ĺ C18, 2.1 x 150 mm, 1.8 µm, 1200 bar CH:METHODS_FILENAME IP-GlyTCA w backflush-10min linear-MoTrPAC-30min.m CH:SOLVENT_A 97% water/3% methanol; 15 mM tributylamine; 10 mM acetic CH:SOLVENT_B 100% methanol; 15 mM tributylamine; 10 mM acetic acid CH:FLOW_GRADIENT t=0 min: 100%/0% (%A/%B) @ 0.25 ml/min | t=2 min: 100%/0% (%A/%B) @ 0.25 ml/min CH:FLOW_GRADIENT | t=12 min: 1%/99% (%A/%B) @ 0.25 ml/min | t=18 min: 1%/99% (%A/%B) @ 0.25 CH:FLOW_GRADIENT ml/min | t=28 min: 100%/0% (%A/%B) @ 0.40 ml/min | t=29.9 min: 100%/0% (%A/%B) @ CH:FLOW_GRADIENT 0.40 ml/min | t=30 min: 100%/0% (%A/%B) @ 0.25 ml/min CH:FLOW_RATE 0.25 ml/min; 0.4 ml/min CH:COLUMN_TEMPERATURE 35C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE QTOF MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE AN:MS_COMMENTS See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf MS:MS_RESULTS_FILE ST002635_AN004307_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90217015206 90218015206 90222015206 90223015206 90225015206 90227015206 90229015206 90232015206 90237015206 90239015206 90245015206 90248015206 90251015206 90252015206 90254015206 90258015206 90259015206 90265015206 90266015206 90267015206 90280015206 90281015206 90283015206 90289015206 90292015206 90410015206 90412015206 90416015206 90420015206 90421015206 90422015206 90423015206 90426015206 90430015206 90439015206 90441015206 90444015206 90449015206 90450015206 90559015206 90560015206 90564015206 90567015206 90571015206 90576015206 90578015206 90581015206 90585015206 90587015206 CS00000MP-01 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000MP-09 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS0000OP0-01 CS0000OP0-02 CS0000OP0-03 CS0000OP0-04 CS0000OP0-05 CS0000OP0-06 CS0000OP0-07 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CS0UMRA01-01 CS0UMRA01-02 CS0UMRA01-03 CS0UMRA01-04 CSMR80012-01 CSMR80012-02 CSMR80012-03 CSMR80012-04 CSMR80013-01 CSMR80013-02 CSMR80013-03 CSMR80013-04 pyruvate 9353.06150245145 4672.2753976086 20777.5399699365 8919.66100820299 15411.3685739119 14095.2530064185 5511.37181981325 11658.3012452317 9950.6695927678 14650.3037380917 16350.325890812 11949.0148016978 9121.64255252243 nan nan nan 9057.86432153784 nan nan 14487.106934773 8130.26494409778 nan 8379.6903964156 6841.52393931856 7222.78867612171 nan 11518.7646475873 nan 5923.87096910331 5030.44002148918 17350.5718707064 17163.3124983295 10566.2372740883 nan 7568.9164153512 11774.4496051069 9430.47117402637 7999.14050292202 5970.0425384583 8264.32745668237 nan 7496.51352367834 5034.09799050641 8772.96131109069 8942.8748558722 10142.1024077931 11816.8415834452 6169.16352608772 5915.17637512726 12681.8801881653 9154.51497032827 12423.265296108 14569.115483723 10470.6993181051 13928.3914432103 13793.7062291639 15949.6773770135 21359.8082571858 nan nan nan nan nan nan nan nan 6558.26254835347 7015.2996113347 10852.9015881213 10773.1362718728 10846.9933446233 15302.3478983634 31433.941737934 10350.1293504434 15414.9407486071 16920.3046889816 17977.6819318851 nan nan nan nan 8381.2396169087 9536.63768541987 12488.824999559 21389.2072998121 5720.65582791358 4338.33577278653 nan 6258.45251307637 alanine 85844.6827673016 109701.887880326 56582.7060840158 50568.8022648501 117024.763591694 68767.7397015172 95279.3592931057 86581.3422476341 124125.297336656 52709.6955600003 65088.7472532878 87383.9689382503 91595.0490207335 48367.8024211862 59613.21168572 88154.282417612 100224.272284442 52401.3843814697 96492.0531374412 116591.486252431 71837.187582603 129381.706449791 108547.02680248 77714.7968214176 95094.3340654119 92791.6375672243 69998.2089238689 81208.4097081194 77319.1463435223 87191.5785122414 75343.0064209908 64058.1647455654 58310.8958290958 99078.1268930346 123034.03016549 75828.3612954654 48372.4144223258 75341.219883064 93647.9396104105 79399.0060293631 70272.3611427862 103915.340621243 77564.6890577803 86439.1426263174 53532.5864436727 50779.6974650717 69777.8803181121 63246.5789649249 69860.1977249518 54639.8857591149 55687.7256070108 76286.0880484844 58499.597365404 39502.6589987053 50532.1690011685 51386.4969733868 39674.2170994389 43985.9509370116 nan nan nan nan nan nan nan nan 14431.6761377152 15000.8398434701 19484.4100691211 20381.2754132343 18161.3736835166 19667.3608065889 20564.7794073235 57014.6563245593 74816.9279346013 50255.7727993311 39813.6623459495 6876.6402361581 7323.93505753538 nan nan 5546.90283384511 2345.27017542846 nan nan 3483.00108552382 3127.28338812155 nan nan lactate 72475.4295892565 66422.4701055976 55772.5728300526 57552.4366543774 104781.125682671 69528.3981206643 54473.0355718021 54101.8692069674 121057.882830135 40834.0284536213 82965.6441902972 98568.0930222378 59250.6436221461 43761.6404225808 63192.1511276146 95092.4329739949 96527.1059541896 41194.1716788894 112361.094814571 104935.109689281 63912.1841145844 90239.7128438896 93677.7842616181 68276.0710041332 89579.6711925907 66184.0630431892 57056.9606534712 74987.3315195067 91052.3024504916 91758.2539562045 87726.0361216951 54846.0776254988 52848.0978538168 76713.8620882076 112833.07219232 70000.1632803673 58210.4564423708 53766.3004734852 99758.0427395584 67284.9182265936 61198.4744410425 122103.206900042 68895.3035697426 70755.0868193434 54149.3117489053 56745.3317223185 72110.8397423375 57986.7392785585 65721.5938544003 59077.5178423866 45369.8375921916 58793.5569816621 67065.3494145897 48785.6952782293 60555.17337094 65616.1467944724 46599.5704646593 39978.6236890325 nan nan nan nan nan nan nan nan 14064.1024513945 17639.1724957302 21537.8556022864 23727.8689514072 20183.2608696807 23684.1110238741 27012.7361607017 52046.577451517 87905.2852731009 58108.8207067384 46019.3588313136 39257.6754134072 37810.931341877 71458.5982760535 40293.2953456407 24204.2569408483 35063.0183335861 101928.568233795 65961.3478458996 24403.7384340262 30876.0197028283 88054.9904485543 82547.3591806299 valine 15311.0138128132 29643.3486964479 12461.6278366224 7988.99978424437 9182.37446121148 9209.45717005962 32240.5288207017 6977.10406523751 nan 8007.81570749207 7935.53427610374 11214.7608264494 12667.5192028123 6014.69904970001 7860.91013630864 11311.8095497955 12465.7293499939 nan 24010.5136636519 12130.7542388075 23226.2003908707 13286.4923985791 8749.38541165423 7049.08036317508 22803.8998318132 12653.3415640171 6991.60146699206 10115.523568107 7639.00984956611 14310.9261584165 13893.4608839648 7083.33955207334 9424.00761624658 13162.3177813725 21247.7485379937 7756.82022922513 4513.50297004187 8919.83579766525 27322.8034103195 22600.924186396 15301.3432054442 7690.07592207391 nan 34032.0932851928 23433.8058497269 8976.58529764268 14534.620192842 16655.271420734 17451.4893431806 6932.4068403594 8772.45053614118 10504.3393843502 6085.02242529213 9461.48739515915 nan 5825.8160678201 3667.84619670115 nan nan nan nan nan nan nan nan nan 1955.16182169425 1958.55646039336 nan 1723.33294823691 nan 1237.8929151736 nan 11443.3515058462 4169.31754192329 nan 4737.25751875462 12568.3413724168 13637.6440606343 10547.7208240857 7855.50097901478 12468.2331677601 7069.11454674254 10181.9475223888 10953.5311416527 10903.6255293554 11423.4104825485 10841.0704702684 10405.7421838119 succinate 51771.6780394054 58080.7039830101 30611.3772750743 37693.6277139078 32267.2525626216 36257.0663254097 92146.264952605 28671.5465253773 30381.8752853981 26161.7381304965 29404.5757634902 26466.0188126476 25873.7600634065 24269.6157148287 34801.3960519665 40008.8840428732 37683.4384611568 21475.4774482178 75898.2202627114 42009.2667641642 72665.6456539969 46080.9580945364 32930.8179084647 19733.236949456 51877.0511448667 41840.3977109172 39025.9702230211 47188.0893702257 34251.7340551023 48812.0793419234 54233.0802056148 25899.6903254632 55353.4784065242 32629.0376962171 43589.7116789009 23398.3167147779 20833.7970895648 35081.0206231323 60999.2083049377 55297.5675136014 37230.6321609469 42952.3978327535 37176.2930577956 75908.6054976377 93248.1998210071 41391.4197824015 48333.797138614 47962.5917942139 49698.8706704856 nan 19667.5491093936 15928.1934474511 20484.4674224632 17475.8707982095 20899.3972930753 18526.7466583759 22348.7221262894 13796.4946070552 nan nan nan nan nan nan nan nan 7421.89257402597 6993.11218904738 6128.83575437484 5699.37183656412 6919.08033509814 6774.11367115116 7192.11204299208 19172.0990263458 22127.4081265451 21311.4235240939 20117.7130419668 3842.17044309375 3383.71995508845 5422.16730846401 nan 1990.01178720075 2114.25294252942 4037.13068945988 2645.57362448111 1473.88606123221 2532.92168132837 3720.67533698668 3410.73466921572 taurine 1481553.49632494 1704262.30053907 38753.4588860255 1196591.48496618 1223427.79038714 1021250.85709777 2447388.49391049 1078991.51665889 69729.9669261889 973307.801182092 1098021.03754377 75467.7310148516 883568.731588675 29479.9384361645 1249616.84408506 1273361.56114048 95836.7212904322 832167.310233323 2514885.14941997 1261944.09699458 2112917.07343113 77644.9853267473 1060030.19925182 32251.1700399297 1396632.44300238 54995.4437922423 880952.402945104 1423023.15475814 915985.911970345 75805.2823514004 50820.4750696695 43005.9083372995 1438721.03614816 1299279.72871818 1688703.48647118 805026.341045958 655499.344834034 48306.9781589945 1819016.02579475 1708898.72119872 1394413.60037 44711.8016066408 1027309.84812707 2504900.68344119 110356.274514271 1078249.39999664 1776398.42860516 79896.666867889 1464989.76772961 766154.252673569 592494.742909833 646328.681544073 699529.077589384 714281.202957532 34338.3099324056 631556.279472552 665497.502906272 715583.806852994 nan nan nan nan nan nan nan nan 165005.472369867 189650.244337625 213867.989236182 213566.827986554 221639.729669841 250315.773653087 12904.6993707961 663506.202812341 649193.865801059 36389.9714653565 698956.871557828 301574.555406807 159649.028955483 250919.926730576 249583.369204631 133697.101507563 84011.023137717 248874.984108728 276136.434160779 102880.322837282 246042.171128363 337223.15663334 257448.17473971 creatine 118791.568672881 161114.154147815 93505.9843336838 86825.3427703861 193130.368425504 107104.772643766 128939.224587715 116067.189446414 181831.109353051 80444.8518471251 104071.38500821 126259.634445258 114069.050213881 85517.8959229811 82663.3969432502 145527.687639662 148158.527470689 88987.9066338351 158667.061937225 184421.95256147 111195.664583576 199918.297715039 149446.747877741 108777.907135328 132263.802486779 139367.352601143 93575.5018664422 130892.662578992 121726.311669489 148799.06495341 101993.213682556 84868.938201856 74505.6494548701 175742.988138351 209046.383324664 111164.361782614 76227.6113421604 100345.460231062 145908.750387459 118569.802879756 108764.361892342 174090.69916531 114710.29738415 123451.342335659 86025.8704573667 79709.712166218 121489.812431629 97512.186727941 103381.88027922 80732.0423062777 71485.2690995506 117005.870568931 81957.4309641402 70027.2920825453 75388.7488237138 84914.1753086492 63057.7684451055 68567.8360455233 nan nan nan nan nan nan nan nan 18464.8805889423 21796.0326688571 28799.2613074281 30638.2065836155 30198.0975498058 31345.088869155 32892.9153100755 83201.0035408647 110452.276450259 76858.9389492337 70035.9219988446 6373.30895622677 5610.83103861551 nan nan 3528.29956635519 2869.73192128531 nan nan 3802.31179652274 3585.36276920772 nan nan leucine+isoleucine 71822.9665912472 65344.8696004708 36275.4051551671 45584.5092894211 47580.7585459429 50053.6759494363 115404.220922605 9101.71412322226 47532.6954666068 44210.6588771887 50116.2116000309 50483.9953840259 51219.901784579 33240.0179774409 33020.1714969604 58170.116526789 47844.4150700798 19708.7918946702 93693.9157955223 12709.9082045555 74296.8857967662 80521.4311932903 30237.4638776338 28260.0360379178 71065.2833637278 43134.9450410534 47695.9121629921 49210.3745503889 41743.570796973 53158.9704237104 8728.3238120827 38063.3342939372 54772.8450752096 32802.6666657162 72054.6763330049 27366.1109425994 15167.4991453235 32689.5991776551 21414.6870728685 77044.6217084959 11766.4057134708 28692.6461123936 36452.9907170388 165375.685541527 24519.9338583532 50443.6079425811 65629.4280532817 69594.3967398076 52364.5838102976 26849.7661856825 8465.24290654658 32807.3576110153 26270.1886303978 20288.4885837697 29988.5740342556 26545.3952374798 27028.1206062942 7175.86057215409 nan nan nan nan nan nan nan nan 8664.15456925307 6523.71178917201 7066.79910977253 7545.00162452145 6115.88786893291 5413.85676042853 9940.26563598549 31345.8659744303 15585.9295811088 23201.7378390662 29588.8118135431 17023.9214575602 15048.8981683088 14831.9520999133 8075.32114350046 13052.2686321106 10218.0310438096 9232.62113094669 4013.06543267303 15809.6380849646 4248.97467047991 15518.2514959234 17722.6459907354 aspartate 41713.5762920464 138068.806499511 106919.678844241 78482.9856265895 124713.336695153 161064.057962761 75974.7794033825 85552.2236701115 133106.972373353 101022.961931376 152082.012170099 152971.080567811 121157.316719333 99876.2600677233 118228.072867446 108871.27549166 92506.0832951905 69439.7607587353 159013.982598873 73229.6611977428 73990.4853362472 139003.769626264 104943.424011137 38798.8065048016 96747.2796045568 42344.0830954242 121729.073566316 124940.677258284 134896.776913009 160493.44917958 110590.674724038 120173.559016673 35533.9155237925 114377.662379681 143384.928011278 111990.577381919 49182.2731706083 92974.4778617064 126555.744043659 107156.786570308 85458.8426031679 167357.584418054 69384.6066878321 119180.637790234 84912.2846046166 102852.833775882 123510.879455586 58451.4733647923 33357.2034623756 71604.1930888153 60475.1759710342 84148.1339641943 115430.426725232 87984.3481502479 34224.0172438089 40119.968206012 49720.1240689769 75502.5402539169 nan nan nan nan nan nan nan nan 16948.2016211717 28365.6726773137 34770.1272034364 36074.9167003798 33013.3387688853 36725.4237058354 39179.086703703 95156.1276325006 153854.117491856 60957.3086555685 33688.3634083345 10073.0179565666 10186.7778520717 13748.379980767 8958.83567031463 2448.36251044568 2426.04902602614 nan nan 7264.37099708421 9481.15106675514 27043.7218495886 21116.9287209398 malate 9233.94489286736 7625.43128792467 9911.33967960339 7627.77235339494 9395.43807202697 9539.11395533418 10386.6179393925 9866.670482618 6297.27851157072 10441.2063037783 14752.1307172869 7954.5965473631 16537.5849295335 9710.80757867686 8638.36783838652 17634.4297932142 10592.4450005069 5870.94908206794 9436.47615990184 8671.67469374343 9103.4714575642 8957.60106527282 15250.7811451405 9355.01293436373 10295.5051623022 9812.25707872338 11449.4262091006 11015.8192052121 9163.074697863 9810.14822667492 13299.4836310267 8221.82684631951 9806.04622601509 8987.39517176832 9840.71595828378 10685.0456659598 6361.93695622672 10446.8196733488 10088.9570681001 14021.6822005574 13790.9747485163 12918.2354446419 9336.25934360484 8743.04140833637 9577.53884048821 10192.5629471118 7849.47148544816 11782.5111560495 9987.92423610639 8372.93494581036 11574.7419316676 10599.9537344976 9764.20373608459 10404.4161142489 8757.27038140039 10253.2035919707 10801.5147259621 10500.9055532363 nan nan nan nan nan nan nan nan 12721.1386352311 9674.33943683382 11068.2577643158 12183.1768249235 11465.360889488 12965.8693387855 11729.3929376541 12469.9800707445 9310.11942517637 10223.7760689195 8851.37452560926 nan 3115.85179296291 nan nan nan nan nan nan nan nan nan nan hypoxanthine 281985.960219224 176196.115407502 88941.0327562646 116099.937284975 131463.039346431 117946.703308456 227975.169989414 106335.919437789 97937.1317153151 99947.8734724922 136685.914705918 90507.7077507475 110079.64921029 84276.7014360117 87529.8535855453 95770.701435105 88788.2252023302 74172.1596210544 176027.705460042 107860.513480068 190084.931353367 109965.228491425 79727.6055760796 56626.392450131 109165.079804055 147792.20980742 79413.6536880204 128675.781292984 68293.4106322711 150518.775677903 163034.622889394 87854.9694410684 113413.445558074 79252.3871062996 128684.646822963 63940.6126590051 34483.3943260502 73441.6367589202 115161.901644938 227855.773111469 90396.0399866649 64471.1075439983 61708.0006874442 298380.055228066 247804.918097255 91005.7728168567 128552.949090703 140963.304676462 135150.763991087 56965.3733302511 61862.141883868 57682.0563593693 55287.6545210745 47021.0746947985 54612.2902134108 55040.2460652207 52278.2273023802 31773.7769162181 nan nan nan nan nan nan nan nan 25776.760033876 19780.1002452627 25525.9299464639 26012.5388413257 22023.7487792667 24654.4305470575 30960.0600447363 72391.7638100523 52957.9914900109 69518.6237849375 59371.3607115079 9584.97192999331 11446.7408544243 9205.43250822163 nan 4509.54813466983 2223.93671345408 4261.98078979931 nan 5215.1503911565 4511.06935902367 5678.10907794502 6472.93283466448 glutamine 8040.40458984269 16147.7418642102 11646.1909633194 137197.772052625 8616.16769899917 121008.263191042 8379.48907750058 15459.048997884 217734.825122788 8360.31531280717 18098.2424830916 248431.345943535 339561.596954889 7726.5105782909 215919.552764969 6560.98353667261 218134.23832963 5187.45215150238 230428.64535831 7869.05937927144 10606.8445594084 8455.07349832293 192903.12807371 8102.52803390511 8466.88750524701 233429.58255839 135371.102762228 268393.793788896 10815.6564148945 8581.37446272804 173510.214448845 238000.523313467 97619.6484526554 7624.40801054514 9511.30654825862 11776.779701253 6931.71662783565 222866.517163049 14304.841982193 231239.131531147 251527.325734199 190463.766627134 123074.442900456 14872.3245130942 244944.737919458 179447.585336409 234063.775887463 14492.845565274 10666.4189450045 202182.974023327 12361.5167066745 10993.5052049545 183686.858077154 7988.82690985112 6634.03319385833 150154.854384111 11592.1525264452 187147.414473847 nan nan nan nan nan nan nan nan 2642.15773683575 73301.5233216598 416195.319056967 75686.4149980141 61833.9490163612 75725.3916042584 4053.91244141958 370362.36578866 9374.85010070102 8163.58492270988 14291.2217982281 20991.4936983991 31052.9815836316 16720.3743415011 8174.43400942929 86977.03843401 38161.798608705 25049.4893710952 26545.1599854344 26529.7543032077 28566.6167612896 24652.9426636147 12375.7079290039 methionine 45125.0402752614 58518.7619853701 27812.6282215355 29353.6974714184 27540.4468891235 28251.7412679435 73171.9020049003 21431.2245863064 27252.8374577078 26867.8997016142 24720.6930356279 22682.6412367004 18689.639064969 14744.7848750161 22193.799532299 25991.9452459197 30770.3780368025 17763.2105129207 34970.4813807732 27210.0347287735 57288.0584653882 45164.2442758347 25553.9522720093 17784.5065983218 40769.2874274257 34406.1383159357 25020.6798158618 25189.2225344105 22317.6391580635 37344.228139475 41413.1855172971 19280.716238422 34997.1946783973 25631.1422292687 46331.0307610692 22062.167178171 11977.972617507 29992.5403164171 60746.7348030014 46087.8753993008 27747.2350403416 21477.6756957702 21790.5542837217 60607.3547922247 59217.4265916907 28333.6388578069 44955.9839219599 42597.4416901684 37236.8346908497 18695.1039470393 20030.0127239322 17266.6262605573 14048.2624312268 15394.5601055166 15679.6404314307 15834.1393606126 14970.1580639455 12689.9020502339 nan nan nan nan nan nan nan nan 6192.24330825016 4088.724325972 4794.15165457691 5012.42819918901 4509.76810344362 4789.61879420166 5776.13497552538 21741.3284631259 13960.2263049022 16602.856012702 18422.0985282596 7244.14596977193 10504.8875320372 6371.94765120445 5037.32870999832 11319.7176425985 6809.04989654748 10421.3507246053 8003.77809073102 6789.06716780979 6238.49671811853 8745.54214006054 7067.88581065342 xanthine 763003.235393112 599204.810633204 301973.144596312 434570.924602358 405102.867706624 369774.148852179 719619.2455184 352913.190592888 305386.036073491 345313.549843838 431643.111269998 315663.059703563 347183.587442771 249178.524894495 398261.738706425 321678.081460547 323209.770314902 256870.288335836 600604.822197815 343646.358855138 528924.425914062 425292.74523958 283092.692495998 187464.161560376 393195.678542767 427310.048433368 235874.481021292 488901.204390305 209439.91541412 525847.84468483 469991.451497442 268090.9407616 392917.900518943 267198.116344525 435247.382408153 204651.075917533 154021.974053618 243838.251115476 404600.122133429 572601.618648602 308376.099038151 268602.899572542 247064.823387268 674966.475335979 726908.373505935 286080.064325745 452469.872743931 362949.462749043 392752.025088363 224154.883573769 181066.346209179 195646.488585835 219242.624448927 197099.32088209 224072.506002607 190625.477630539 202962.860100498 175961.998720933 nan nan nan nan nan nan nan nan 56116.5068842419 59562.2144579266 64428.9454857441 68330.0352805466 68921.5532142764 70580.4376516067 80228.4695556606 211976.680229571 183059.988365959 221523.691462447 214721.616927593 93169.058674379 91744.4434744892 132533.495735 112480.28355771 35343.9874076323 30840.5711479851 58317.7533203431 59207.6793228389 48226.7104155395 49759.6201321128 102587.331597752 99148.8555672477 glyceraldehyde-3-phosphate 21864.4726337725 24365.4601460948 17803.4051913132 15314.6169918088 23011.235681098 12626.0523762657 16543.5913701025 25543.8043790429 19657.2949212247 13216.5261992622 26335.9416206167 21306.6329452918 19939.1534646485 11851.1785440499 27966.5382392193 13997.9107594543 16343.2004538203 9631.63772922891 21212.7318091095 18787.8514347186 15138.982825241 17166.4574458412 20325.0304784839 17606.0654805774 21173.386855653 16082.17284026 9928.60897221563 19149.6686923583 17803.1632023779 18170.7547002207 16633.6348828805 16694.8111053482 9615.72318103754 16940.5494008016 19177.2132268239 15351.4044498455 19076.6279263093 16424.1553664034 25612.129692041 11635.7583834025 20323.8080491873 13405.4870964048 14076.4032239722 22770.292751968 21530.1400255812 13887.9410743243 16795.5847809979 20712.216951921 22647.6699066743 15758.4304104807 17046.7237895216 22259.0441073062 18991.1955948844 17869.0857612383 19677.6517969243 19667.4897551794 23532.3089190323 19633.147442375 13312.31251 12432.13114 14091.02643 14224.82075 18973.41335 16214.34783 13123.19483 13866.34041 5876.08838455239 6546.92950719428 30815.8851890443 6785.89161524889 6881.86135127922 5649.84098360175 4903.38199954765 21168.580215991 21260.5010104825 14522.7382910412 29644.5156940236 8289.46481368768 10454.1548986911 9230.2516617769 6267.77362101872 7263.44238323844 6231.35738461445 8147.50090492091 6925.44486467128 7414.98148359377 7465.6480736324 13114.5936132297 7810.11842433659 glycerol 3-phosphate 189812.503786861 136790.111410592 nan 265530.452955968 250394.969192015 213107.113965987 198871.165124431 225838.182863669 163622.551747896 212755.370641427 256079.04003272 304837.075248066 175380.946351583 218447.904312254 273118.172044166 207091.012216194 198726.391939636 229882.527986619 173216.459721841 249010.870920072 157824.147013009 309582.745268239 263186.496983154 192914.833748751 189742.601491692 179224.094975744 179448.134136802 153354.181065226 196608.42048336 187153.594036303 156605.439391713 200522.061971678 167753.725528772 219533.340516014 241540.569396004 227891.905982832 218052.166108283 152424.568250954 6220.47723201538 215098.752814384 201029.680796737 205409.446781807 136761.113519371 171302.21198469 191490.697390739 166665.367188872 237822.727033818 171404.290660523 233791.080930132 nan 10116.2362655782 153105.387524369 168767.856719723 184770.439288691 159946.58487043 137464.461451101 nan 23584.9566529067 nan nan nan nan nan nan nan nan 136241.729368621 131032.301607241 208812.946687446 217061.09717064 216238.775636094 222433.102527444 535108.247939576 10317.9339609032 166638.591964798 196119.429693394 162557.939659863 14902.1041239267 248502.101433897 31543.2746153151 41519.5145992597 nan 12721.8894321548 22322.7029802755 31111.3501870352 9744.31641287197 7887.84592208927 17071.6703751757 14948.6753414327 tyrosine 30380.6271388454 21472.9004056707 34268.2489194584 34792.9625299904 37792.5086452325 35135.7499945448 26976.5387666049 40487.6209038381 35241.2749258384 30825.1163496606 30032.3888529776 31587.1955210269 27413.9425429875 24139.1852892103 24803.0713770627 25176.7568770489 23052.2149517372 36582.1292275234 26438.2649158289 43568.9343806461 23937.5022794038 46962.6465156796 22847.3927803435 20584.3341161666 22538.5435578586 26876.879759582 35628.823451493 18900.5264427642 32554.1551105369 24807.2367525157 24839.4917679252 20395.1380431593 27183.4384131351 31178.9319423989 32454.2440575575 26395.4013817908 23687.405641065 18425.0477220327 25558.8147900688 32609.9397894907 35222.6297561888 24723.5899914293 17333.2474083814 40890.3519373307 13763.4811164253 27705.2953498859 32142.8928238834 26275.6376331197 26920.9266915722 16686.1884601574 18776.2386609561 24943.0778261313 27201.2905324783 25550.9664868805 22459.6967651528 20915.7683248213 33884.5968147686 24695.8925861288 nan nan nan nan nan nan nan nan 33002.3760668181 28893.3150424977 44880.1321387603 52918.4232788754 45219.2701665946 49787.6436544481 113276.278463379 26020.9057771841 25842.8329503531 27195.6887812442 26015.4145593683 15977.7879600186 208132.130902351 18748.8257721524 21467.5708056675 30836.7415072592 25813.9664127056 30773.6373148012 46132.8735218587 14410.8770326099 12980.3147032511 19399.9526305012 20697.8692910132 citrate+isocitrate 59912.2884594726 56506.2263986351 59101.3180467414 60914.2134696172 65818.4080059408 42694.0965493945 63887.2441533699 57629.2773526227 54930.9501390736 63756.931244312 57312.8351908626 65649.2629328043 66589.2385393543 64079.5484501962 64496.3595862428 76064.6061918276 62001.5742338878 45436.3913397998 19268.4217750916 66388.6173525486 65089.5750857834 71806.0261997588 67289.5967387457 67848.2228904575 74717.8180705396 58649.8557348455 46469.0266265471 64619.013672252 69896.7684433486 60850.4191108308 78144.7122082405 22695.6960147597 51366.7999692314 19011.6334885829 66618.2456372365 12763.6149873201 56910.257629547 51879.6645944016 57102.1683562408 66464.637478886 60702.5382004454 85537.7440569406 57129.966894824 67188.9411598709 66140.4558543737 56979.7558672926 73263.6838584728 79161.1933777492 63115.7817715514 42694.1866070001 50074.5406756799 64758.2155887139 50303.5553202412 14073.5671463685 69678.233402475 59645.1795555797 59252.7690884771 61478.1469321903 nan nan nan nan nan nan nan nan 86261.6997104371 103630.741842484 117019.159221179 104871.020376951 112854.488030246 116913.03684325 117387.746264896 19350.3686507091 57125.7607646025 60261.9097510444 66419.4681526214 4721.06291635563 3978.06423787951 5946.50223998482 nan 5235.95479038353 5112.41882725177 nan 5379.7674465951 nan nan nan nan tryptophan 12450.068967941 8731.5721309423 9907.08969134958 4243.53244629797 7672.14133350855 3881.06837401504 9566.85126679222 6000.21332765257 11884.2678457323 nan 5740.20444150364 12459.5747970074 7864.68395937341 5555.90161158751 3883.90571289194 11670.9555683939 nan 4530.13147008644 9947.62790084546 10651.9548836583 7606.31497671045 13511.687934653 8385.00430962602 7906.87062785027 9391.29482238876 nan 5860.139518779 9483.55872198447 8030.74706585792 6586.8095215876 9473.04968685831 5704.63148262333 4093.32246595077 8214.14571465255 15772.9092013085 7199.42132196378 3469.34497272477 4231.43321180899 8521.16839222893 8749.45197789022 nan 12668.1268295713 nan 8297.99467360951 7494.75974128486 7747.89436963348 10175.0677165382 8942.56397927146 8209.31696840325 11838.0711299568 8047.40066840333 11614.4113382837 7027.48350359837 nan 7531.67748515089 6003.13013247526 4522.84744144312 nan nan nan nan nan nan nan nan nan 4861.0076240413 6065.8291228682 5953.4797989694 5030.43656693667 4929.80827520419 5222.68842076957 4703.99227938292 12640.480881085 10017.5286869364 6158.52490299782 3630.34410957837 16176.3502593024 19021.461902875 16227.8418789349 10228.5460870414 21763.5060799168 35532.3742757268 48463.1097410277 26890.1578791246 25038.1870616012 21713.4649474167 44519.1428246155 34185.7292487821 phosphocreatine nan 7794.45019490553 3555.55567581513 nan 5421.9802086229 nan 11185.9634380342 5161.44790464004 5663.12027642657 nan 9655.7401216765 nan 5332.70628544213 nan nan 5767.31469431733 nan nan nan nan nan nan 5440.20053727269 4668.63991273887 6940.16437304967 nan nan 7379.60209331584 5015.73661516671 nan 8863.34535031277 7276.6215071194 8007.81139874641 nan nan nan nan nan nan nan nan nan nan nan nan nan nan 5897.16029713832 nan 8444.29064969874 6266.21105949876 6106.477644324 6351.07501942873 6195.58446150876 8549.22818176325 7003.98731136233 6951.92687683643 7464.63933161476 nan nan nan nan nan nan nan nan 2035.88997628904 1788.71601097709 1979.2501602899 1520.03593909389 1433.63402163775 1672.75635255857 1603.06150651013 6739.74281764976 7023.07041209332 8430.57896252815 9095.12605722366 nan nan nan nan nan nan nan nan nan nan nan nan ribose 5-phosphate+ribulose 5-phosphate+xylulose 5-phosphate 56639.8581887646 51192.0681003091 52205.9342511357 62713.1766776988 43111.9661075754 46441.1086142683 41316.9182903871 75263.2794009637 76036.1532546885 51840.6026282196 44647.6919021208 36722.8305527362 56157.3998013635 41990.5817374465 36882.2571409822 49941.657043702 34138.7073490828 49347.9814587974 26657.4498395021 64378.3993676656 50337.6691906334 40255.3140879157 40979.4544167485 36523.1328260307 54428.1535059922 32194.6897898591 74665.9212918425 43830.8513362841 54325.3285589964 49239.3246360876 42282.7737907597 63150.6014756552 53100.9446549327 42411.1359877711 41453.1933659887 78320.3312706229 25775.129140095 47052.9217907573 45518.0609837881 41713.2084901397 36882.7046078927 41983.7078124351 38117.0503675843 30348.2722977497 50136.4028136447 46335.5498706848 40214.5780738982 10683.3835695408 31805.6908538361 37897.0579500102 41297.5420203252 39106.342910169 31681.9438758583 47806.744075573 54702.7313970226 50098.008849895 29404.3947717125 41817.3793939912 nan nan nan nan nan nan nan nan 68803.0517584191 48741.2457578531 64420.1709412182 50515.0703645727 60955.7965533261 50435.5125445088 59368.0665203323 41467.5529775118 29101.1132172615 29649.2650876037 49937.7881856177 nan 3602.98958624076 nan nan 3224.43199673314 4059.17590955958 nan nan nan nan nan nan ribose 5-phosphate 48134.9394279957 7069.01162786281 10150.3273015164 104322.373854642 10306.1297133769 72347.049698384 28247.7647023939 101310.220465497 6763.57219308215 74310.5481289016 13473.4920886712 12135.7582619479 9272.00354761121 55293.5493755648 76532.7463329426 6397.42889483463 74204.6851574035 94966.7512982114 8388.1626517219 96165.2188883789 7761.02916197336 12344.6737831405 11977.5138306425 50042.410683897 8814.83894839559 49603.2801764743 7364.36751077293 47803.9874090933 50732.4058611682 49663.4514710357 8629.85046113478 8671.75140849414 53483.5041944297 7959.46427476623 62734.3512282462 94368.5384337765 76448.0492813684 46435.8964149805 nan 57142.1068858825 nan 55393.573748028 41895.1501952165 14155.1204206893 8944.47818873484 40611.7890156123 nan 7572.83482037306 10511.511165076 8710.94352846783 6889.00053448183 37111.5084800251 7552.09553312687 nan 54859.3585607993 6565.55634492202 64689.9850055928 nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan 8173.08476101272 57344.6745074483 25988.7841580301 9052.55705914761 nan nan nan nan nan nan nan nan nan nan nan nan fructose 6-phosphate 58637.0019369221 96734.5810182523 81738.3262657328 58109.8247028716 114717.319710498 57812.9140748389 71731.1835560671 52888.6610499832 125635.578073566 51166.6396535235 50693.5191344034 95946.0857307199 41365.9732479069 24726.8139602132 66735.0031687695 104978.322031386 114251.462700026 52528.5169373353 76504.8341597418 131573.349022063 107428.858092046 120985.951023375 104596.558548741 72545.3253657924 77389.5768933878 58290.7609579655 66504.6005512599 87830.7651739642 92919.2376258389 87393.4983653665 98430.1409650882 59969.619140384 63086.1178767584 126983.013901419 122050.484949499 54102.4810339364 62334.9685488536 53487.0544370224 81804.2037065098 89336.7520332678 90279.4367516145 91332.1269341304 94990.4444525005 99193.0728020275 59295.4461938988 53998.0986880935 75413.2808347579 69888.2796399126 102034.020076503 59429.7585688652 54559.5248523745 56715.0817814468 63375.5072193513 46328.027311249 61147.3169011469 39213.6438287095 44056.9047502638 31941.9135679524 nan nan nan nan nan nan nan nan 11426.7650257189 12566.3613266791 13854.7769547793 15817.8217689814 15266.2614508937 6772.32704541827 14017.009364277 53621.5231914701 70724.4892724055 57525.4536901656 47692.9732467869 nan 3925.18710701075 nan nan nan nan nan nan nan nan nan nan hexose phosphate 58637.0019369221 96734.5810182523 81738.3262657328 58109.8247028716 114717.319710498 57812.9140748389 71731.1835560671 52888.6610499832 125635.578073566 51166.6396535235 50693.5191344034 95946.0857307199 41365.9732479069 24726.8139602132 66735.0031687695 104978.322031386 114251.462700026 52528.5169373353 76504.8341597418 131573.349022063 107428.858092046 120985.951023375 104596.558548741 72545.3253657924 77389.5768933878 58290.7609579655 66504.6005512599 87830.7651739642 92919.2376258389 87393.4983653665 98430.1409650882 59969.619140384 63086.1178767584 126983.013901419 122050.484949499 54102.4810339364 62334.9685488536 53487.0544370224 81804.2037065098 89336.7520332678 90279.4367516145 91332.1269341304 94990.4444525005 99193.0728020275 59295.4461938988 53998.0986880935 75413.2808347579 69888.2796399126 102034.020076503 59429.7585688652 54559.5248523745 56715.0817814468 63375.5072193513 46328.027311249 61147.3169011469 39213.6438287095 44056.9047502638 31941.9135679524 nan nan nan nan nan nan nan nan 11426.7650257189 12566.3613266791 13854.7769547793 15817.8217689814 15266.2614508937 6772.32704541827 14017.009364277 53621.5231914701 70724.4892724055 57525.4536901656 47692.9732467869 nan 3925.18710701075 nan nan nan nan nan nan nan nan nan nan adenosine 46384.9835618249 33811.5827904635 41484.2546894577 46359.6322721025 29032.2571286301 49160.760471745 35998.9842450629 53659.8696679986 23577.7147021203 51861.9573749583 81225.504791023 58807.4971345533 31918.2668136908 51554.2184498654 31999.787699586 31216.017870634 33838.5871005139 52535.8920978205 31691.2368205397 25675.2758589801 32833.7358472029 21506.1940563044 44932.2719599917 38199.7233741107 23725.2068559682 31079.4568050921 69482.3840964802 35908.0799445436 38759.0470549663 32922.8404417255 36840.3392988602 51732.3149743812 39818.4266915184 31517.8834714517 37497.7488394384 30122.1011312819 26478.576063639 29558.9927014387 25189.9859901229 50175.0388657703 25478.911241204 15369.4315796873 27545.8853359163 37872.1820985659 28588.1223668187 63539.1732921571 44348.9673242523 29406.5471718658 32851.7089021519 38300.0551379387 33842.9752141275 30594.2701306003 33558.2945969785 26602.7943888296 25910.8231725623 23877.1074798617 37531.404644508 27030.3756102767 nan nan nan nan nan nan nan nan 70372.9141528799 41980.6543884526 62955.887518741 46607.1533685695 46276.2762342449 42915.0626216639 154019.892316967 37329.3702648601 27196.3867440925 30728.5827967748 38969.0983299019 1231.99196645925 nan nan nan 5643.82662922037 8717.26249376038 nan nan 2389.12330910393 2340.41043134183 nan nan Inosine 152938.075206151 111111.958797422 44740.7013817282 68071.1854271945 55291.0784890407 50691.405057713 212816.003952421 45216.3875964642 35128.9422736329 51673.6721504119 60358.1198431899 9717.33308931416 47941.9999035571 37423.958358452 56137.2937595552 44055.4749580734 22665.4738472943 12308.8625312253 55810.9551232231 31214.3092850653 66854.4729485087 58820.0065291176 39920.642993746 20080.3727114725 41642.5863667715 53842.523723569 26809.6067186205 48036.0254972658 23140.6426406395 67007.6014929295 64769.8220956299 42682.5609554917 37160.246898956 35259.1954546309 69128.607183373 26388.2477941404 6009.84410995139 52628.7173108826 25260.6740992981 97877.3619636258 24933.4945083979 36551.7649443451 20339.472449158 90242.5165530222 77530.3348404626 28432.1525250091 70554.227363129 43038.1036548043 50478.7555343058 22360.9608520801 19687.7684656932 26458.2403142418 24937.3445591726 11970.5444422888 19029.4280755783 16463.8376470848 26149.6618096279 20700.2186782368 nan nan nan nan nan nan nan nan 16510.4181321192 24247.2353652176 25325.9266549477 32351.040340101 31244.3434534458 35819.9234312264 35793.2591167932 28588.477765378 22365.5260545525 29919.9161573062 28333.1370989532 5800.90874111902 5412.91985176552 5994.22544696778 4441.59581159003 9690.71876121644 4875.34549496575 3804.24204218183 4734.19728653271 5753.69718814474 4750.35527415151 6337.86627989794 6120.6855376462 6-phosphogluconate 11538.7116832151 6803.60611212412 6957.28190707069 6689.34935048773 14452.0163113872 10025.3990302526 6767.85255806894 6196.934331916 11078.5846073687 8056.74736869566 7673.42344006382 6732.26088266219 5603.68250720691 7536.9036919311 8323.39882952747 5495.49624827495 8064.0714243044 5076.06896242801 8856.77720990558 10187.8012910328 7399.93689558199 10521.3520705134 8783.0133668497 7762.08719937486 6835.82905994175 5996.36621459458 9539.55152487535 6775.46064377016 8604.12951333417 11721.6072135674 9033.30960810492 5269.35931309008 5078.83208373148 6371.31904673883 7592.89304909093 nan 7281.85867232664 8209.06856058054 7399.65131998248 7701.12870834989 6800.99288858145 8890.43788133678 7181.88939793751 5203.51624386226 5424.42412391039 7079.29768885806 nan 4526.32576278929 9473.64626693295 nan 4514.46198561114 4327.67546566561 6925.55702877486 4216.72192463381 4221.9739354834 4530.82398525413 5079.42944189003 4805.57010070028 nan nan nan nan nan nan nan nan 3039.00378330228 4124.17808281687 4978.78136947191 5929.20506031843 4521.96639425498 5119.51355712346 5079.15957312137 3950.32949332812 8655.57552131007 6547.3058563277 3628.4693812789 nan nan nan nan nan nan nan nan nan nan nan nan N-acetyl-D-glucosamine-1-phosphate 10986.0754724532 16697.5385042696 9159.93373193928 28809.9068700973 41108.093673771 25691.8330385784 23480.965410934 10718.8197669702 36216.950678835 6785.92023048533 54421.5230425018 23790.7977880789 37077.937268203 22411.9995767126 46189.2599027079 8657.67392779655 10984.991542957 26672.3628263658 16684.6425000147 19522.9464587542 10595.4880411823 30177.4783656001 29570.6242822013 36585.0106896156 36460.8794527254 13041.5023515958 16262.3972103824 21753.9795359986 9911.42872319078 11649.7000070775 12736.9800337185 36689.8986397495 21063.7863913337 37768.5831447759 9831.06441570849 31225.2089880798 11170.9105553291 7787.02904002511 22008.8582352956 39745.6051250508 28056.1644814012 9370.43415408789 18715.0619641176 15038.5287100772 13971.9703762043 10633.2786732078 11111.5026395427 46745.7164165694 17372.2490840053 nan 9481.32957182873 26816.4590910545 9559.87736109065 33994.355919911 50415.4107237018 34076.6459086417 11837.2859145839 nan nan nan nan nan nan nan nan nan 6723.9699487216 7311.25892644122 31022.5968995907 12419.0010027113 8553.4379099879 4442.44839834938 5711.90055683522 15106.1212623843 51168.6605249919 7976.0388571492 10870.6217457494 15836.2247800275 20583.1030370318 22790.0665851635 6237.67887847232 nan nan 4576.71940289391 nan 8919.05360208946 13402.7387476514 4656.66612331559 3094.36850381659 CMP 28385.5529823055 53707.1378728488 59137.4930154739 51688.4035565783 85179.6379334627 47046.3054298013 53412.4053282375 47201.8385086309 106997.270079447 43562.8782172297 54724.4466057395 95619.5320970212 52825.829759454 35576.817566214 48999.4082388389 71838.5301321901 101588.678379946 40855.1829373449 86987.2353437093 105877.156151143 71683.8257433133 81465.0743649907 98324.0275302041 59938.7527558376 112095.39433673 62170.3870498655 77340.7301372905 88051.194338162 109920.181498247 79979.9543057601 93972.2818737214 54887.2696310921 49170.5803749621 77682.1769722013 50952.6178315318 57322.2495592505 49345.2532525757 56175.429518183 87701.8460549117 41807.6145151883 63873.144747045 108634.219259406 82201.5820367159 66013.9079049687 58086.389114109 87953.871217764 62997.0873674029 56522.1624359123 51398.6304656787 43131.1587079945 47999.3131424421 42130.230059644 54158.4371921381 33604.8676687831 52838.395857016 47358.0335783458 36389.9279561047 26668.6016793971 nan nan nan nan nan nan nan nan 18926.7257853947 12883.9424822281 16501.9998022906 21178.1543814114 15598.6035651946 18018.616428704 16295.9559712852 66627.4477347318 59539.4982839603 42049.3054815362 36608.9307973337 5673.33569658111 6736.84197918686 6418.51093781815 nan 2804.05954714176 2777.90531069629 nan nan nan nan nan nan UMP 241225.214361634 384169.054788758 215068.346892497 157985.180622263 170685.865017129 187019.880043459 701175.753878482 147272.504036578 194295.310949102 178125.185285224 145457.732272143 163607.073235168 129635.080001707 103341.751255974 149358.213560082 227159.761479964 249355.790604351 118339.490102866 300948.750928148 192188.310863965 544486.063006672 278033.580292856 9585.05868280252 5097.21838369021 372572.20655847 170082.505653701 233891.382239987 273336.599768885 10054.9322470027 241262.707233117 12852.2393107709 156038.561949142 278753.05570702 164526.898096043 nan 125471.344614033 105558.914563272 264461.306451216 399610.574673138 311098.958445025 176044.994384549 147428.986491472 179600.896304094 29865.2195791426 577879.956601638 19174.4256492505 263707.679838301 17074.4536484337 350616.036552024 24246.5703339667 nan 136974.985879766 102242.879132014 93704.1702267833 130760.382480328 95406.992173974 91389.6658869899 74574.5863607949 nan nan nan nan nan nan nan nan 4696.48323490573 1681.50955140604 28611.7466123023 31777.1303128569 31732.8824467116 28569.7639793244 38825.9051758259 134174.051002625 81735.1478414136 110781.472795693 86327.9049199311 22364.5984034833 34271.7799631039 16539.9533765311 13371.7847700991 18312.0114227743 12765.1076520846 6258.37038629417 8353.35990612005 13522.9894026347 7064.34590555914 5357.13399674057 6438.76407300576 fructose 1,6-biphosphate 494979.121628013 952865.585929085 16085.903025654 18033.0284074834 651717.547850394 19817.8067354389 1059432.41130805 353373.193145371 8366.47016838768 540180.567102579 24058.6376450595 443703.066636553 12212.6683956866 301408.478494949 639668.881718658 740997.537900383 748480.391841664 270732.861957821 940720.596154512 590808.945828894 995770.657719734 968975.254264219 597530.103194457 347238.509393603 743733.563038614 504505.143932542 31282.5172409443 632092.957166325 474224.185402906 629698.051428991 24849.0148749108 12896.8172594778 699802.040669073 473517.782605089 742281.554901763 435069.994456974 399759.623192669 20983.3390381964 1013405.99763599 807133.813165847 614735.341354322 689761.037141718 555915.70512653 1130889.11650984 890766.49522903 598608.320722786 14772.9639591956 651671.939776415 621041.50342721 369488.279221029 244270.739098239 295065.776104874 304366.856944124 324699.688188258 294060.724225417 304934.962195228 20781.7033680697 273136.940236457 nan nan nan nan nan nan nan nan 97200.0824029638 93196.08583825 100488.616479261 9454.2265666887 7457.76982082105 106819.335391045 105921.221914685 306353.622116707 315829.48136002 292830.587393326 314040.090105395 nan nan nan nan nan nan nan nan nan nan nan nan AMP 2158899.99354989 1461839.25902478 2470602.585263 2248274.81635827 1985279.23830003 2010858.320363 2505741.78084645 2574258.90239909 1965318.8879821 2432570.35850947 2495490.71986254 2472919.47361914 2050822.21358622 2285097.10343055 2308368.81103134 1983450.04335122 1995828.80879391 1975405.79439409 1713331.63388397 2256180.39966483 2146336.02526352 2162933.26996975 2470756.78531164 2011511.97507356 1432245.0025909 2018029.82668962 3037400.44773247 1557039.54724433 2383568.62904336 1899593.99080541 1889317.00524204 1989733.88706956 2368276.45691119 2462659.92662183 2221127.69945695 1992691.55749745 2222990.11162878 2377944.58032736 1818550.75785473 2077218.12533715 2224988.86834607 2032325.39301537 2162543.29940646 2359536.6352747 2395362.72331205 2660052.30870635 3020767.16823092 2273316.34405214 2595842.72191672 2201081.56482689 1905307.52997055 1785990.74520932 2007667.62574689 1568181.05404227 1860432.34785146 1395216.4624065 2458378.69102865 1833907.26238638 nan nan nan nan 11617.97199 nan nan nan 1989306.59620177 1918033.16459593 2337639.07218969 2354658.95051376 2424332.86440669 2289907.80287619 5218944.79567208 2222900.58475843 1814806.20622702 2062387.18880159 1874610.06885452 224687.308175966 3914969.94132651 337781.019890103 395075.021056105 419780.552123758 450252.134957397 345544.274180031 561379.676876222 236694.849764574 234945.838906919 265436.372411845 281926.601038515 IMP nan 53198.9837090282 69323.267276507 85304.167296457 42376.6087348171 58957.1939175271 110552.344198985 72726.103230563 62777.3161619196 81558.3273474869 83227.4938860446 nan 73854.5029953784 91038.0242169283 61149.1948816469 9291.83586308592 2811.20116097959 58145.6534376038 33016.1534477793 64642.9823580124 65165.6973140018 107622.52602899 115883.682764826 38475.9207636505 nan 52558.4685578308 79268.3661075266 nan 61056.4086686294 65897.2455238596 54724.4413493342 75316.1510668057 54139.9514067553 83870.3916549715 nan 65700.7996077918 52481.1571376365 85383.4943471011 53541.1814547064 112705.185677385 63007.9647037138 47408.787404078 69551.7382210288 115292.00277086 66879.0639901089 64880.5318725361 91494.1095604916 50699.9366738975 93768.105232732 62558.4423767753 60181.570560218 57247.394258185 55841.9013845686 56674.8362632386 51793.494420568 35276.9210574241 72246.7327491223 68714.0316924563 nan nan nan nan nan nan nan nan 68474.8885611128 58047.3527661628 63753.6821681818 83196.9509031795 71266.6239415674 68224.2546117018 231210.242809328 50026.6890605022 41228.7135789227 60274.860726144 46646.1255279602 17317.8583081508 331843.406696813 16403.6985044188 17422.3976799028 14107.7099723355 17088.6620999128 10141.1070067295 20339.0459514598 22337.3269799245 17769.1848988031 16821.6478460175 19280.5783444022 GMP 179188.27471562 179704.299006428 176213.397771827 94706.5679087417 134370.907839409 147293.529591701 285619.063424412 147140.44491312 239440.557122069 114772.959810188 165506.499283321 149742.903010273 190418.90966652 138587.429318492 107153.507813887 37211.4997446946 197403.689448009 100915.389745344 42355.9553531789 132875.48406836 179761.919247448 47336.342826687 267029.468162824 110494.697507489 269810.325996195 162370.975518284 193205.612555173 206282.320752713 213496.329479012 187869.986134281 174720.078954246 143105.868523708 128743.082240357 184943.120423428 176379.466209177 25516.773916538 84335.7065757557 187400.503363464 191498.474044234 37608.2652413523 138946.629456065 122872.89405533 181949.222553667 169489.818538378 120218.974058137 176601.978895432 142963.255430261 95527.2858267459 138335.895664821 142362.596548994 161005.528377237 152476.422992607 133212.369835757 96837.6529853848 30465.4782693742 110671.540557162 100634.47567234 103305.97035518 nan nan nan nan nan nan nan nan 51332.7088520406 41640.7051125159 36906.5240897466 50247.0211051195 37472.0048427046 37590.5951724833 49660.7935517302 116146.878094439 132473.99095441 128096.24137928 14220.272095879 16852.8372804697 20654.6043464293 9909.21137932909 7844.41732405141 13499.6567005531 11994.8163073171 15482.3849347609 8165.13862498441 5947.37198918656 6606.85378183033 11845.3957069541 nan UDP 22473.2976842132 27972.6359476144 42165.9914510063 32251.389940311 36506.447400245 34955.0150009861 28049.1694554303 32300.0799115904 38503.8233260806 31974.8294168675 38013.6272947227 45093.7576668718 33227.4577035308 30051.1340417545 25430.6516823318 32111.4768572862 28782.3428781593 35299.8778141457 28380.9726655698 55952.4945362658 36922.4267699669 39271.1006345932 39977.2827945845 34039.4553690644 33395.8805138873 36598.3225193209 39350.451226033 31598.316922444 48471.0530371694 41188.786455181 28555.0731013888 40739.1883232915 44147.0808185688 35222.4485009419 50831.7668405633 40732.0399637789 43414.9996579124 30583.202665219 31689.1972828733 42025.2878093187 32867.8236149916 41965.3163492904 36207.7411825897 45004.5467323588 20760.059397711 49170.8007697591 56276.0159001545 34225.4382241763 35955.8056105561 23217.2750818785 24178.9920922427 31282.9812994961 35312.9983695805 35024.9089493984 29107.127201498 24176.0191913362 39093.5098213166 29305.7578473728 nan nan nan nan nan nan nan nan 26536.8774472654 24454.0973361515 33738.7770575398 36234.3432740745 31076.0043327398 35302.6023375221 75640.6642935915 31536.8917894927 37426.8488017609 29039.9820796871 28143.9593136834 2699.79606781962 34484.8281926863 nan nan 6203.98909617588 5228.49682048168 6168.49046715175 nan 2556.95258155974 nan nan nan ADP 668976.579897877 740697.732461636 774859.032677014 1028876.49031847 1202308.27012194 349387.604164839 729391.651247391 1222518.19648348 959841.192677985 1075451.80018284 376218.202856511 1448065.76228199 640023.320425942 1103712.77201264 1068691.37984411 919880.419618514 815143.798810994 1214805.11331632 884452.916182479 1329311.52373781 985531.494543734 1294951.15177254 1242898.73275885 1025060.73846366 905209.331139176 1140784.40085056 6121.39196168841 704305.359433871 1215467.14674699 1041743.04289689 480157.943013783 698825.634913926 1310473.08630866 1046862.19792081 1251579.75670745 1019975.45852704 1285385.78383238 709171.182732741 823856.541410476 1196325.91500424 1138073.22552808 1481253.73234281 1198275.22215173 1184082.45110238 716984.3933703 1218681.05367951 1347272.62091643 906738.882650097 975344.458706252 797889.750863246 650772.219866319 830992.951415479 926902.175728852 992949.840580663 758062.873526659 803797.853573449 1137678.53444793 762463.794920767 nan nan 7417.564263 8449.515569 nan nan nan nan 905251.692451881 969584.566142852 1288540.41436211 1291677.66890982 1268516.7455284 1318312.01569751 2403831.55535795 973433.561911159 1127594.71271734 796153.178081923 976776.347034516 77384.0910615754 1047247.97708442 134481.773359381 161653.347842634 94416.0793071931 82618.943869489 140103.753131448 139376.625605046 70775.461876213 59667.4028798168 105755.480327793 118270.298471183 GDP 189170.882131491 142043.334558604 185661.10289357 208950.140435363 194670.509495078 184231.044254422 114578.789255495 183672.073657626 193954.000091663 200557.253429486 162249.263283888 217239.607880356 153296.389253438 178368.485709038 159619.747299779 178744.930687788 154935.759381019 168595.8388921 146437.795415496 292652.477148866 191505.223278323 222506.056770255 216531.138125135 164218.263802719 168761.094020316 193721.444088441 198210.54762893 165025.516694574 222224.219312341 198818.510566232 163664.851819646 148364.114225946 195460.207303274 132611.829061146 273436.952714341 171676.965817635 212251.290729634 194050.216908616 143481.542687245 228404.566696759 179748.972945107 259643.287632598 187406.518858879 219954.300114448 143391.09763282 241300.336414588 287143.033057717 188817.454278957 172962.271765828 88094.0507740386 84707.6703333878 99040.0612213396 109859.291751474 105231.435127297 92552.5637346061 82206.943548047 118476.082000396 79979.8924550907 nan nan nan nan nan nan nan nan 132957.815289084 135292.680385371 198208.302182852 212549.573337112 191341.239686071 220429.47554873 394903.279121383 119902.147629861 116567.374567503 102870.565750554 100424.588460524 3351.88609621721 38006.9361610421 5208.55744511932 nan 1657.41772459664 nan nan nan nan nan nan nan UTP 8817.92540580992 33866.0414812185 21314.985664763 16113.825310334 33960.3717311231 12383.736856411 13568.9942544167 22856.5413572722 68725.0911104658 10263.6055825859 8351.24379080647 22411.9322158885 17661.7695358671 6928.951280709 12162.039408025 31950.8709506887 22683.0091756085 8106.52081109531 29038.6001973701 42446.5898011928 39474.6832576635 27462.5550906327 39885.3149455577 21940.2577871149 10426.1988099236 30297.7003297376 22013.6222188181 28473.5827651076 31982.6987712254 33137.7594071616 21897.5881826138 10934.9644099817 28845.3667873098 20309.2708670651 39082.0792931934 12740.9413499609 20719.0604996996 18870.9671253891 31520.7584974388 16996.8705234882 13741.4890722801 28377.8940772214 29289.9280016583 29340.4998832833 18233.906761375 32052.3561538517 24381.1295627097 21445.5204314382 12970.2624485123 6882.87487616115 12890.1087058118 8317.99524603118 12024.1267420185 7245.88447258398 7273.1976994925 5785.69868472225 nan nan nan nan nan nan nan nan nan nan 4905.9376316571 7535.34899286584 5235.84882784282 6231.0488298172 4425.41374288665 5199.23498074733 2679.98482444338 nan 9047.76564064212 7221.16548101951 nan nan nan nan nan nan nan nan nan nan nan nan nan ATP 580489.646090153 1817903.2345231 764975.470771546 560999.456519339 523720.227633462 486278.779376582 1114442.03791065 490053.768037186 871948.1814226 464897.676644424 321447.743979822 771638.027329254 266145.015789552 188631.890420655 328071.001941126 740237.472576466 246562.871883527 311900.569176385 1374623.47221518 941465.102758667 2286835.85066487 816956.202659278 624065.055815997 274580.572726742 1127825.97772338 841544.117142129 768858.13023726 900084.827656482 648839.427997084 1158799.57634755 889811.004849034 450808.011884892 1350216.20991465 711193.617405294 1257449.42359119 194859.839680047 388917.123594023 628814.138605233 1369681.45079095 1153350.39601565 464870.259171249 684863.208038462 781347.276558972 2046365.39885209 1673298.42072263 1172492.92420167 941132.250923828 908699.973708186 616138.216591045 284215.099684531 245693.202995596 229615.964368955 262595.058186606 234400.970160147 285412.164129016 253028.900537076 228702.055780992 165976.708692758 nan nan nan nan nan nan nan nan 204053.808973248 217839.093026074 192953.642799031 181728.428364721 173357.304258492 174201.726091313 163066.551346508 48931.0339819814 241700.423299146 281533.647482788 219958.079977502 8543.64977797437 10436.0214782421 19370.1688382599 12025.6970014282 9650.92232133488 6224.38509925677 12790.6490118829 17724.4720919512 6492.30381192717 5207.86303802494 14596.1298774934 8801.41314134772 GTP 133234.002628524 262252.959216079 149425.71010645 91551.1816750376 108406.060532202 51934.1909584522 104655.2449166 178715.921411567 174205.591656843 84898.6168316194 77922.0326617529 154987.511537084 91732.7475828993 39309.5770921343 99074.671823898 111791.294336209 82313.9172485577 55610.1678437855 133259.190173662 175785.279613999 155496.243328869 137446.990794914 145524.409996777 89634.3011928862 170308.30070414 136279.483413859 96024.4990204566 207626.56075117 150808.026661092 138579.101895544 119609.002854371 96309.6323265377 88325.4940646416 46285.6531991078 210798.851498823 58263.391874855 150228.941499618 107080.518498233 183879.660990913 58774.8818487854 95144.7598177209 132052.341180931 86254.6252194527 229705.644439101 141850.279445884 140499.171705904 162805.790743283 210239.078832565 113225.543041853 44314.5712533964 58836.6529817732 38837.898298622 47013.1102893871 47789.3853814793 54046.8981582954 39441.0135192145 62438.3863153453 nan nan nan nan nan nan nan nan nan 37910.5166153597 52852.3535347088 240633.093731544 41190.0754008648 36788.0551232004 43053.2524029234 31640.659361238 nan 57496.8280233454 41796.4714284535 62834.9780880336 nan nan nan nan nan nan nan nan nan nan nan nan UDP-glucose 1511325.02043387 1354830.31202443 1884937.78103606 1432235.21546117 1553901.93526459 1494146.48465468 1833798.75151168 1639581.33823157 1709134.83938208 1790226.90632678 1668004.69028313 1603784.85933138 1770244.3619868 1667549.03081637 1584317.67858874 1587935.7841579 1807513.13593061 1430689.36872787 1430677.75042669 1709870.57294413 1742477.58248131 1590403.45622717 1569894.53960468 1683628.91410721 1804269.92273715 1695110.10738184 1964364.05772882 1844513.89842076 1889747.13527242 1741362.18411125 1951037.6133519 1965821.95289595 1700127.0845362 1580837.59416194 1584716.19880562 1682958.96269729 1595740.65873467 1536888.34061423 1639943.56022433 1752542.62212296 1591254.32370105 1848779.02938571 1547090.44970365 1554209.78587116 1783945.62947024 1907192.5296603 1889938.62408372 1919759.17189141 1725432.69931417 1322448.3068808 1643433.82365317 1800139.53863898 1400221.46593124 1325313.98639177 1427090.32586695 1560915.99936911 1582723.97355605 1480674.97718568 nan nan nan nan nan nan nan nan 1828594.20733453 1990236.94686639 2104670.61933544 1977621.39883436 1874709.37034665 2013647.05805492 2222451.81385634 1943046.37765094 1566609.71325518 1666380.48797659 1635045.06898434 723102.835238509 641553.469821886 786516.203272647 746427.199878952 767864.015701855 838916.946075169 816824.344738195 829795.632706783 416017.909760109 368005.920175004 375971.703948438 349995.734940668 UDP-glucuronate 151900.154405557 152313.346921078 170622.980903386 127507.557396574 168319.211998612 136308.10405349 131755.466781457 135921.065833638 151086.248434145 167386.725701767 137974.10333973 142908.246519783 142655.522833671 130176.992338179 126348.202210369 141906.423618326 138148.518252582 126893.212691334 119707.954250089 145145.555455731 149999.276045968 143499.267615521 143593.648126893 146174.507697652 154345.738293722 144554.789326344 142551.505552433 161997.16866938 159626.779843135 154101.080869219 178036.128470267 156146.107958572 134932.034269765 121294.510222724 153300.796165297 123415.337587405 130916.575055978 131588.625795988 137872.117805946 153733.88790577 120568.189172006 156712.764868279 138708.522035127 141114.93917353 154036.848683841 143458.411331035 168216.353869889 179927.66404114 119272.43218396 112750.632703079 151462.612292128 147043.692295555 129513.082784665 116675.834505241 129886.211329456 124593.797975959 125407.830418041 120462.464463355 nan nan nan nan nan nan nan nan 220763.713536232 254863.041746396 233558.496952475 218950.145383918 234065.774567071 228225.159446464 215715.470704244 170389.418011115 131838.716241555 134821.933168827 134740.756247349 32123.6829143106 28531.6020660609 29235.1425233272 26525.3740972313 21836.5460851668 20987.858795479 20727.7982835589 22745.9116161573 10760.7683877231 6675.92019444202 9124.93151991244 9514.4888278455 UDP-N-acetylglucosamine 3178776.14446593 2834278.50938859 3598309.05631401 2709277.62485254 3115850.95376205 3046328.65427009 3472655.47865961 3016352.92217874 3214735.29787822 3439500.96042007 3197874.23865221 2965222.43122063 3282477.95621491 3348157.57360352 3283694.7668224 3090491.98833371 3392467.94720585 2661402.59522591 2593707.67509714 3288608.92023454 3209813.92731386 3073769.5574591 2879801.37077832 3089376.01312199 3370194.08893517 3040503.03742359 3695442.65000608 3439526.10527144 3314924.36679056 3203486.84824447 3490877.06154415 3317174.94538015 2837578.21386474 2661612.37460991 3003625.79722939 3141947.60310333 2828802.78282145 2818215.10513953 3048817.60055395 3342875.18711528 3127066.1282377 3464962.23530234 2933500.46023468 3095286.81379028 3621592.49576725 3290369.3003931 3589251.86059491 3611740.53474736 3128960.93749099 2539630.69919121 3156590.75089244 3406386.56194839 2730297.88676437 2612846.04351571 2697678.53719926 2939244.57520967 2920862.88685215 3232984.30222814 nan nan nan nan nan nan nan nan 3624269.35505138 3835438.07483043 4182307.88909443 3906082.01064787 3822810.08183974 4037902.84524924 4364024.09966974 3579478.2230669 2917939.90759233 3150099.39899272 3075102.52972372 2057570.02658074 1917927.77599576 2280230.69042606 2299187.46714327 2401577.2547277 2642567.94205527 2791213.95391492 2841943.44898175 1580110.19001896 1371816.01225915 1506160.23285123 1398719.86196249 oxidized glutathione 18556432.5376733 22418569.8125234 13391207.115167 17708737.8057035 16663727.9776133 16835932.9642603 51148467.5364759 13674486.2793093 10107.4082211161 14923494.4452135 21211337.7890211 16441673.0283602 12476803.0902847 12074032.4476962 24239945.9333434 18553793.5447177 17344700.3865503 9738776.7143769 42280599.7975941 16722853.3366665 36647743.2021462 30990861.3972821 17777920.2972192 10856904.2672475 23081971.4613916 20260985.9319283 13205109.4763122 20403187.6289544 14489995.646339 26271420.0442566 20369199.5970197 3445.32625223374 25282825.3079754 20855966.6238142 21316987.6673952 10579782.1414532 10378874.9430605 15405600.7050954 30252414.2176817 20695045.0328867 26626822.3777551 22183174.7667774 17385538.4820519 30033714.373981 42255290.3604884 19696998.1678272 24275261.3767701 21512220.7769035 33385101.152596 nan nan 9928300.14526924 10825682.9311965 11115729.3677865 12751279.1988514 12002330.8660853 12431397.6199132 12347127.8211656 nan nan 4264.566165 nan nan nan nan nan 4401828.05333887 4580758.82716264 4602675.85919471 4678947.47690504 4523179.45397801 4859394.72778696 5353111.86119715 10549375.569416 11039649.5833061 13449036.3162177 11697477.1182415 2081588.3683941 1948317.49916026 3535779.7753421 3352732.35577751 1841484.16917996 1626694.54465029 4057927.92287298 4631969.70391253 1857585.68730244 2072900.13874068 4403701.70003315 3566917.00509428 NAD+ 3368646.99109839 3129201.09475932 3994388.11730969 3691600.54827302 3593136.34078447 3493819.43436735 3507357.59118665 3844298.96412462 3686503.0965463 3764607.18089562 3742140.93652149 4078599.25205729 3593214.74335215 3908457.99441949 4227858.5974071 3705725.24549165 4132614.41332341 3262954.89301917 3799951.48922153 3979082.7208268 3816950.29956002 3737908.25027204 4071162.33239667 3892920.0918738 4263699.03112061 3653590.38417381 4074161.66787227 4139217.54039456 4105244.25995217 3724336.35518229 4495464.08705895 4426487.11574178 3467284.97846223 4011577.34215847 3331256.16749641 3920780.73283948 3474831.75042574 3482524.282922 3679509.02684576 4075807.26589568 4056563.72871136 4356055.2127844 3672223.56283448 3903764.33190618 4136133.83050165 3620409.60151231 3974357.99820785 4042233.89657248 3677579.10121993 3114914.75160005 3777225.26712137 3788196.65567991 3751015.37954816 3244337.19127775 3603000.53392117 3479502.31531158 3436091.15468387 3728161.31325935 nan nan nan nan nan nan nan nan 3502041.78365311 3806252.23834645 4464044.36911082 4240790.10228014 4288589.74101287 4127320.02860324 4937663.55838796 5072102.68290213 3564911.87422405 3757503.0106688 3696146.10314137 903430.53706444 845154.140411567 972695.483048902 936538.669094678 1147230.22872331 1460782.69144386 1396295.78017204 1498282.14773867 903200.802664797 785178.224406532 899138.097509853 791302.597277149 NADH 1654420.70786131 2368324.95627697 3025606.26637529 2333733.75320387 2332524.25273423 2280738.9859737 2056820.12562728 2618774.09896299 3099911.34127025 2525234.92235644 5182.05974511714 2550318.9215182 2952458.16103704 2690121.52701964 2370245.13596928 3066961.8502123 3327611.81870018 2487069.78645026 2080157.67400988 3135982.35437524 2631152.93629057 2704753.23951194 2749946.29371406 2686307.63154275 3188016.02389251 3022686.25524227 53749.5024778408 2948596.24094086 3027809.73132198 2961127.69985527 nan 3825212.64332003 2628341.60768654 2454214.58525121 2516158.06207052 2576659.56349791 2642375.29469974 1894318.04018695 2122521.49068598 2442075.90539732 1770363.46982316 3073549.02503396 1759952.79333635 2718233.45882709 2914643.25258688 2288989.81981469 2998340.10062684 3166437.16485809 2242186.43209198 1871982.32849383 2314188.2025564 2631281.32924055 2146916.30415287 2130186.27009179 2066731.7477825 2239511.9474592 2127963.88998046 2274063.68679789 nan nan nan nan nan nan nan nan 299820.103301109 322298.021493172 360069.98097052 332735.440226539 349090.803145674 353641.555310268 387652.896983256 2824530.15139049 2342027.98732922 2194536.31356158 2366316.20802933 120775.984069839 117616.836651274 132040.205786045 122213.593473748 130233.970139663 133592.22906178 139603.110828952 143021.820883215 95328.4139329085 86222.6285729794 84930.3199087867 83578.1986773086 NADP+ 432813.316760203 310484.205729587 490331.289866027 374077.991118281 419404.701794408 404695.88320803 342984.308412807 377305.330879319 451829.441112745 419206.026917804 15765.2096004269 361798.751600148 399698.184388724 370572.562619973 375035.012166852 406713.054894276 438905.543264595 336833.270880745 336862.302270522 355726.939905408 314516.045147838 400035.949468475 388961.098484193 454068.558717747 397940.908433981 387720.658383286 nan 429223.897790521 460681.752736368 347481.559573669 539371.326062598 483599.12676184 317367.696812509 313737.969449332 329214.233576271 444272.994714983 453993.713191465 333325.125105727 387244.848634583 452253.528925625 422966.291412908 471338.400097819 376425.782606716 371309.488041178 359148.713066822 368745.344006323 421204.945209932 423377.034168589 360102.532680802 286140.711310564 342910.489477909 387234.024670497 318179.302200553 322635.299553317 326959.231538332 335068.099505478 337810.464262934 373688.421473977 nan nan nan nan nan nan nan nan 340372.086411782 379659.625293545 398956.228703077 390711.29573519 389995.500938709 408350.671344908 427357.926852214 423870.729830007 343067.115505291 350329.970817165 342770.850950958 47772.3869339596 46399.4551244639 60246.6938476646 57709.8792330066 93052.1536959642 97059.146104796 143417.870122 138028.310705393 30789.730962751 25769.8484470547 37096.6617570813 33109.2584404672 NADPH 73991.1469625425 609466.663590663 13518.3115291476 118461.308575904 17905.0445671559 25052.8852457756 273269.122581674 86331.0280566502 135700.052946333 35037.1559073788 9416.82027614832 207163.033282359 13220.6492139438 7619.97561545456 90408.9842714936 233180.490783749 188908.281619878 14594.3621632361 476785.901605853 444143.677666924 680809.445347658 516517.955683057 218878.994090729 8736.30305240494 525604.483615536 359706.034720405 260788.196848079 245089.708556333 146554.989681147 370879.846195563 27462.060825237 7489.08405770815 354883.939671532 317430.04246493 446165.947067935 14812.1136334911 46137.5475787768 238116.201978787 365901.822830538 289666.389867227 62579.3413184902 343924.093383218 127538.232349396 694251.319826063 510685.04785678 203404.944642012 289030.867803751 323826.465503136 214277.446237111 12251.8727345384 7304.59472901906 6193.06000032846 7619.54074405798 6005.61060392707 7904.49121711495 5713.83798438848 8039.19601239919 nan nan nan nan nan nan nan nan nan 3829.41489848987 5093.50301013363 1582.06623065717 3255.95672567108 3595.62538844097 2226.28152801748 4053.37546638527 8219.3428752967 8289.66551320223 9613.33535294482 5808.49931842418 1880.10922615759 nan nan nan 15968.1360823239 11750.55938207 nan nan 2597.49354175721 2640.31042184951 nan nan FAD 295443.467266407 293474.394161559 283018.786389817 247762.606704903 259374.401867576 238656.32189365 247293.71164409 273152.732604831 276912.225650807 256980.216254404 268702.076817003 241009.012895172 262408.712627373 205257.370390887 265293.34480046 233674.350020717 276310.090674556 217599.590121624 217348.14393401 261216.360160621 236482.970802554 311502.912885624 250975.121953763 275484.610383492 285213.901519675 261216.961046935 270515.80899265 276652.740574507 291310.201201495 237437.574888046 305454.956449852 289079.80007761 242814.93076498 253282.980704191 275224.653138074 292352.094534122 266600.274269516 232564.208283797 248341.826514361 263652.09620483 250637.085276973 305971.832147875 259900.667452386 267203.206337184 262431.33656176 239770.862400136 282628.758882895 268462.45846225 238720.741479645 203446.222195506 249181.182610999 261458.156932545 234687.350459276 228260.401631822 244647.754741109 244719.949952172 233755.046902711 288839.871195717 nan nan nan nan nan nan nan nan 305077.980153219 342362.908275123 351553.044294842 337136.508630073 347688.157293874 350235.533463451 346417.305669762 293928.611914257 242883.506895522 253001.590476201 252431.177512022 57991.487286847 49099.472386594 68385.9990618064 57259.7828251707 50679.654412883 55947.1353013311 60212.523150074 62118.0184246537 40882.5234944015 32187.5517804717 36406.3829515315 35218.4979309432 CoA(2:0) 198127.717617448 315858.812110855 360915.029247704 126100.672236026 89072.210035055 312586.247019147 27956.4802508271 381027.747026162 561108.887004849 335978.755933344 35266.4136024551 59572.2794734587 65450.0772009799 108756.467817133 39404.338653202 168043.835242348 342686.380765535 434025.182293952 40551.8562656767 286318.150026969 77789.0946346591 62262.8419944699 78448.4974384265 68882.7314201229 96071.1509881032 142323.740826988 628266.922969277 125434.085290216 105760.361316413 75328.0462070933 371311.094134075 76862.2143259485 313484.14247096 38294.8280444075 139994.915871271 262436.246235465 151033.813547754 170779.985547995 50539.2554539188 298361.347769295 29281.4688710123 69116.1658461281 115356.120140115 385041.304686243 99551.8898021136 302017.158095971 118495.059072975 140984.264592083 23070.8373934734 48612.0980279379 58375.3117999602 59370.5317598722 61471.8252697864 61288.8323558278 57206.5722549621 56102.5884822346 55487.8749076408 61974.227147963 nan nan nan nan nan nan nan nan 21003.466032677 23735.7185503741 31762.1266351794 30652.4171070429 31744.5618308474 24912.9619605498 28624.7155293893 67857.606232728 58969.0560803224 59046.8479524844 58478.1977554811 14295.4423248465 13960.0653075026 15021.114061234 15114.0847565406 12665.934600162 13920.1877897563 14493.7465737014 17342.4898804666 4623.82287991258 4358.06266379641 6909.34494055287 5529.82773067098 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt pyruvate C3 H4 O3 87.0093 88.0166 Pyruvic acid 7.52 alanine C3 H7 N O2 88.0408 89.0481 Alanine 1.34 lactate C3 H6 O3 89.0249 90.0322 Lactic acid 6.58 valine C5 H11 N O2 116.0722 117.0795 Valine 1.48 succinate C4 H6 O4 117.0196 118.0269 Succinic acid 9.18 taurine C2 H7 N O3 S 124.008 125.0153 Taurine 1.3 creatine C4 H9 N3 O2 130.0626 131.0699 Creatine 1.34 leucine+isoleucine C6 H13 N O2 130.0877 131.095 Leucine/Isoleucine 2.38 aspartate C4 H7 N O4 132.0304 133.0377 Aspartic acid 4.26 malate C4 H6 O5 133.0143 134.0216 Malic acid 9.35 hypoxanthine C5 H4 N4 O 135.0315 136.0388 Hypoxanthine 2.01 glutamine C5 H10 N2 O3 145.0624 146.0697 Glutamine 1.26 methionine C5 H11 N O2 S 148.044 149.0513 Methionine 1.79 xanthine C5 H4 N4 O2 151.0265 152.0338 Xanthine 2.23 glyceraldehyde-3-phosphate C3 H7 O6 P 168.9896 169.9969 Glyceraldehyde 3-phosphate 11.68 glycerol 3-phosphate C3 H9 O6 P 171.0067 172.014 sn-Glycero-3-phosphate 6.74 tyrosine C9 H11 N O3 180.0667 181.074 Tyrosine 2.18 citrate+isocitrate C6 H8 O7 191.0199 192.0272 Citric acid/Isocitric acid 10.04 tryptophan C11 H12 N2 O2 203.0827 204.09 Tryptophan 6.63 phosphocreatine C4 H10 N3 O5 P 210.0288 211.0361 Phosphocreatine 9.25 ribose 5-phosphate+ribulose 5-phosphate+xylulose 5-phosphate C5 H11 O8 P 229.012 230.0193 Pentose 5-phosphate 7.5 ribose 5-phosphate C5 H11 O8 P 229.0121 230.0194 Ribose 5-phosphate 7.02 fructose 6-phosphate C6 H13 O9 P 259.0226 260.0299 Fructose 6-phosphate 6.29 hexose phosphate C6 H13 O9 P 259.0226 260.0299 Hexose 6-phosphate 6.29 adenosine C10 H13 N5 O4 266.0896 267.0969 Adenosine 5.71 Inosine C10 H12 N4 O5 267.0735 268.0808 Inosine 3.67 6-phosphogluconate C6 H13 O10 P 275.0176 276.0249 6-Phosphogluconic acid 9.67 N-acetyl-D-glucosamine-1-phosphate C8 H16 N O9 P 300.0488 301.0561 N-Acetyl-D-glucosamine 1-phosphate 6.94 CMP C9 H14 N3 O8 P 322.0448 323.0521 CMP 7.31 UMP C9 H13 N2 O9 P 323.0254 324.0327 UMP 7.89 fructose 1,6-biphosphate C6 H14 O12 P2 338.9891 339.9964 Fructose 1,6-bisphosphate 9.91 AMP C10 H14 N5 O7 P 346.0562 347.0635 AMP 8.55 IMP C10 H13 N4 O8 P 347.0368 348.0441 IMP 8.09 GMP C10 H14 N5 O8 P 362.0482 363.0555 GMP 8.09 UDP C9 H14 N2 O12 P2 402.9955 404.0028 UDP 9.73 ADP C10 H15 N5 O10 P2 426.0224 427.0297 ADP 9.93 GDP C10 H15 N5 O11 P2 442.0173 443.0246 GDP 9.71 UTP C9 H15 N2 O15 P3 482.9617 483.969 UTP 10.75 ATP C10 H16 N5 O13 P3 505.9886 506.9959 ATP 10.88 GTP C10 H16 N5 O14 P3 521.9836 522.9909 GTP 10.66 UDP-glucose C15 H24 N2 O17 P2 565.0481 566.0554 UDP-glucose 9.37 UDP-glucuronate C15 H22 N2 O18 P2 579.0272 580.0345 UDP-glucuronic acid 10.64 UDP-N-acetylglucosamine C17 H27 N3 O17 P2 606.0749 607.0822 UDP-N-acetylglucosamine 9.4 oxidized glutathione C20 H32 N6 O12 S2 611.1458 612.1531 Oxidized glutathione 9.05 NAD+ C21 H27 N7 O14 P2 662.1022 663.1095 NAD+ 7.2 NADH C21 H29 N7 O14 P2 664.1177 665.125 NADH 9.86 NADP+ C21 H28 N7 O17 P3 742.0681 743.0754 NADP+ 9.8 NADPH C21 H30 N7 O17 P3 744.0835 745.0908 NADPH 10.89 FAD C27 H33 N9 O15 P2 784.1498 785.1571 FAD 10.73 CoA(2:0) C23 H38 N7 O17 P3 S 808.1174 809.1247 Acetyl-CoA 11.48 METABOLITES_END #END