#METABOLOMICS WORKBENCH eso5005_20190215_075746 DATATRACK_ID:1622 STUDY_ID:ST001149 ANALYSIS_ID:AN001896 PROJECT_ID:PR000768 VERSION 1 CREATED_ON March 18, 2019, 7:59 am #PROJECT PR:PROJECT_TITLE Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required PR:PROJECT_TITLE for Parasite Membrane Homeostasis PR:PROJECT_TYPE LC-MS Metabolomics PR:PROJECT_SUMMARY Hydrophilic LC-MS analysis of PfNCR1 Targeting compounds as part of functional PR:PROJECT_SUMMARY validation of publication PR:INSTITUTE Pennsylvania State University PR:DEPARTMENT BMB PR:LABORATORY Llinás Laboratory PR:LAST_NAME Llinás PR:FIRST_NAME Manuel PR:ADDRESS W-122 Millennium Science Complex, Pollock Road, University Park, PA 16802 PR:EMAIL manuel@psu.edu PR:PHONE Office: (814) 867-3444, Lab: (814) 867-3527 PR:PUBLICATIONS Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required PR:PUBLICATIONS for Parasite Membrane Homeostasis PR:CONTRIBUTORS Eva S. Istvan, Sudipta Das, Suyash Bhatnagar, Josh R. Beck, Edward Owen, Manuel PR:CONTRIBUTORS Llinás, Suresh M. Ganesan, Jacquin C. Niles, Elizabeth A. Winzeler, Akhil B. PR:CONTRIBUTORS Vaidya, Daniel E. Goldberg #STUDY ST:STUDY_TITLE Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required ST:STUDY_TITLE for Parasite Membrane Homeostasis ST:STUDY_TYPE Drug Exposure ST:STUDY_SUMMARY Metabolic examination/confirmation of resistance mutations and GFP tagging ST:STUDY_SUMMARY observed in study ST:INSTITUTE Pennsylvania State University ST:DEPARTMENT BMB ST:LABORATORY Llinás Laboratory ST:LAST_NAME Llinás ST:FIRST_NAME Manuel ST:ADDRESS W-122 Millennium Science Complex, Pollock Road ST:EMAIL eso5005@psu.edu ST:PHONE 8148673527 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Plasmodium Falciparum SU:TAXONOMY_ID 5833 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - ATQ-20180530 Drug treatment:Atovaquone, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - MMV009108-20180530 Drug treatment:MMV009108, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - MMV019662-20180530 Drug treatment:MMV019662, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - MMV028038-20180530 Drug treatment:MMV028038, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - ND-20180530 Drug treatment:Untreated, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - ATQ-20181025 Drug treatment:Atovaquone, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - MMV028038-20181025 Drug treatment:MMV028038, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - ND-20181025 Drug treatment:Untreated, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - ATQ-MB1 Drug treatment:Atovaquone, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Original SUBJECT_SAMPLE_FACTORS - MMV019662-MB1 Drug treatment:MMV019662, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Archival data from Study ID: ST000441 SUBJECT_SAMPLE_FACTORS - ND-MB1 Drug treatment:Untreated, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Archival data from Study ID: ST000441 SUBJECT_SAMPLE_FACTORS - ATQ-MB2 Drug treatment:Atovaquone, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Archival data from Study ID: ST000441 SUBJECT_SAMPLE_FACTORS - MMV009108-MB2 Drug treatment:MMV009108, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Archival data from Study ID: ST000441 SUBJECT_SAMPLE_FACTORS - ND-MB2 Drug treatment:Untreated, 2.5 hours Input material=3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells; Data presented=Peak Area Post-blank Subtraction; Data Source=Archival data from Study ID: ST000441 #COLLECTION CO:COLLECTION_SUMMARY Aspiration of 4 mL media, transfer of sample (1 mL) to 1.5 mL tubes, CO:COLLECTION_SUMMARY centrifugation, removal of supernatant, PBS wash, centrifugation, and extraction CO:COLLECTION_SUMMARY via 90% methanol with labelled aspartate. CO:COLLECTION_PROTOCOL_FILENAME Metabolite_Extraction_for_LCMS_2017_Llinas.pdf CO:SAMPLE_TYPE Cultured cells CO:COLLECTION_METHOD Aspiration of 4 mL media, transfer of sample (1 mL) to 1.5 mL tubes CO:COLLECTION_LOCATION Biological safety hood CO:COLLECTION_FREQUENCY once after 2.5 hours treatment CO:COLLECTION_DURATION Collection and extraction occurs in under 20 minutes per plate CO:VOLUMEORAMOUNT_COLLECTED 1 mL containing 1x10^8 infected cells CO:STORAGE_CONDITIONS On ice CO:COLLECTION_VIALS 1.5 mL eppendorf CO:STORAGE_VIALS 1.5 mL eppendorf #TREATMENT TR:TREATMENT_SUMMARY Infected Red Blood cells were exposed to Antimalarial Compounds, associated with TR:TREATMENT_SUMMARY sample names. All samples were treated with 10xIC50 of a compound for 2.5 hours TR:TREATMENT_SUMMARY or left untreated for 2.5 hours. TR:TREATMENT_PROTOCOL_ID Metabolite_Extraction_for_LCMS_2017_Llinas TR:TREATMENT_PROTOCOL_FILENAME Metabolite_Extraction_for_LCMS_2017_Llinas.pdf TR:TREATMENT Abiotic TR:TREATMENT_COMPOUND ATQ, MMV009108, MMV019662, MMV028038 TR:TREATMENT_ROUTE Addition to media TR:TREATMENT_DOSE 10xIC50, 2-10xIC50 for archival data TR:TREATMENT_DOSEVOLUME Always equal to or less than 10 uL per 5 mL sample TR:TREATMENT_DOSEDURATION 2.5 hours TR:TREATMENT_VEHICLE Stocks kept in either DMSO or Water TR:CELL_STORAGE Temperature/Gas Mixture controlled incubator TR:CELL_GROWTH_CONTAINER 6-well plate TR:CELL_GROWTH_CONFIG 5 mL per well, each with 1x10^8 cells TR:CELL_MEDIA RPMI 1640 w/ Albumax, Gentamycin, Hypoxanthine, HEPES, Sodium Bicarbonate TR:CELL_HARVESTING PBS Wash followed by 90% methanol extraction #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples washed in PBS, spun down, aspirated, extracted in 90% methanol with SP:SAMPLEPREP_SUMMARY labelled aspartate, then dried, resuspended in water labelled with SP:SAMPLEPREP_SUMMARY chlorpropamide SP:SAMPLEPREP_PROTOCOL_FILENAME Metabolite_Extraction_for_LCMS_2017_Llinas.pdf SP:PROCESSING_METHOD Wash, Lysis, Drying, resuspension SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD 90% Methanol Lysis SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION 100 uL water with chlorpropamide SP:SAMPLE_SPIKING Labelled Aspartate, Chlorpropamide #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME XSelect T3 XP Column Reversed-Phase 2.5 µm Spherical Silica (2.1 mm x 100 mm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Blank subtraction, RSD cutoffs both by RSD per sample and pooled QCs to MS:MS_COMMENTS eliminate metabolites affected by time-dependency #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area Post-Blank Subtraction MS_METABOLITE_DATA_START Samples ATQ-20180530 ATQ-20180530 MMV009108-20180530 MMV009108-20180530 MMV009108-20180530 MMV019662-20180530 MMV019662-20180530 MMV019662-20180530 MMV028038-20180530 MMV028038-20180530 MMV028038-20180530 ND-20180530 ND-20180530 ND-20180530 ATQ-20181025 ATQ-20181025 ATQ-20181025 MMV028038-20181025 MMV028038-20181025 MMV028038-20181025 ND-20181025 ND-20181025 ND-20181025 ATQ-MB1 ATQ-MB1 ATQ-MB1 MMV019662-MB1 MMV019662-MB1 MMV019662-MB1 ND-MB1 ND-MB1 ND-MB1 ATQ-MB2 ATQ-MB2 ATQ-MB2 MMV009108-MB2 MMV009108-MB2 MMV009108-MB2 ND-MB2 ND-MB2 ND-MB2 Factors Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:MMV009108, 2.5 hours Drug treatment:MMV009108, 2.5 hours Drug treatment:MMV009108, 2.5 hours Drug treatment:MMV019662, 2.5 hours Drug treatment:MMV019662, 2.5 hours Drug treatment:MMV019662, 2.5 hours Drug treatment:MMV028038, 2.5 hours Drug treatment:MMV028038, 2.5 hours Drug treatment:MMV028038, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:MMV028038, 2.5 hours Drug treatment:MMV028038, 2.5 hours Drug treatment:MMV028038, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:MMV019662, 2.5 hours Drug treatment:MMV019662, 2.5 hours Drug treatment:MMV019662, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:Atovaquone, 2.5 hours Drug treatment:MMV009108, 2.5 hours Drug treatment:MMV009108, 2.5 hours Drug treatment:MMV009108, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours Drug treatment:Untreated, 2.5 hours 2_3-Diphosphoglyceric acid 1183798066 771910849.5 1206252755 1031779405 906151239.3 1214606624 843896166.1 1167015021 953676208.8 1086813040 997163304.6 1191355219 919764422.4 1097978838 1293461149 2603136935 2911027262 2624318154 2415971593 2578332403 2389591642 2767805366 2885964352 2705382193 1258245457 2275372457 1667865457 1797391457 1630856457 2024868457 1909217457 1945350457 2756608457 5233382245 4883382245 4893382245 3613382245 4603382245 4623382245 4863382245 5663382245 4663382245 2-dehydro-D-gluconate 3162039.241 1672851.48 2300745.124 2156296.653 1875201.389 2107537.079 2075491.103 2194229.447 2986902.889 2062790.299 2210707.191 2230690.068 3237339.42 2261464.72 3392379.12 0 0 0 0 0 0 0 0 0 21516201.79 25029381.79 23343541.79 27179801.79 23146141.79 22268442.79 32792961.79 39824061.79 38570901.79 14492488.18 7064319.182 14592488.18 15092488.18 14392488.18 17392488.18 11792488.18 16892488.18 13492488.18 2-Hydroxy-2-methylbutanedioic acid 40230278.22 33123447.49 37363870.5 37107491.65 35004448.09 37799934.02 41126060.28 41440721.85 39295620.82 36094780.38 34237506.82 34653176.28 36955143.15 38791463.15 39167331.22 64307050.52 69291518.88 56284368.19 59031315.56 57880698.82 55863797.74 60122563.22 60523035.93 62081271.08 420380121.4 545538021.4 438509421.4 567987921.4 473980521.4 542913921.4 593352521.4 755166121.4 750926521.4 269484593.4 282484593.4 287484593.4 238484593.4 303484593.4 274484593.4 264484593.4 309484593.4 268484593.4 2-oxo-4-methylthiobutanoate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1248117.152 1396079.152 1123143.152 1462014.152 1207145.152 2196122.152 908874.152 1632611.152 999821.152 1033469.44 1023853.44 969819.8396 951475.8396 1156766.44 1035734.44 1095849.44 1185167.44 1065118.44 3-phosphoglycerate 80460208.22 59360612.78 88446905.87 79857435.49 73727609.51 90948843.88 78406068.88 81407983.37 75846506.49 84371623.87 86901768.75 87297109.09 69303679.85 78751139.69 85018058.34 523116439.7 558778633.2 491951276.4 537807272.9 524165404.2 482676593.6 518159500.6 485526106.8 410000284.8 376910139.7 511384039.7 445090839.7 469714339.7 393830439.7 410509539.7 448206139.7 455547039.7 572335939.7 1188831947 1268831947 1168831947 1068831947 1238831947 1458831947 1168831947 1478831947 1258831947 3-phospho-serine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 129886411.9 143113742.3 136349917.6 126502680.6 131530839.9 131111380.9 161301372.7 162619262.3 167783533.1 465715189.8 628891189.8 524878189.8 535889989.8 518277149.8 366366009.8 1164082499 1267896590 1383242512 139995146.5 183995146.5 137995146.5 81495146.5 164995146.5 49695146.5 183995146.5 205995146.5 178995146.5 4-aminobutyrate 37404374.4 29364874.5 38742911.27 27362949.68 26061162.66 24116209.5 29063302.63 31900425.45 30510773.72 30464682.34 30391390.66 29706708.48 34476987.46 37621685.75 35425186.18 47181415.32 49854282.41 48034821.24 46111600.83 46660647.54 44356703.51 43512426 45288734.68 45448335.34 37176986.8 40794016.8 33551296.8 39355026.8 14470216.8 50204686.8 44279526.8 30533056.8 53295246.8 43716465.32 12416465.32 6970235.32 21916465.32 5198240.32 23316465.32 19316465.32 10816465.32 48116465.32 4-phosphopantetheine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2697586.149 3903008.637 2777187.711 3432760.002 3647040.023 2855665.03 2833171.241 3270875.79 3145264.515 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4-phosphopantothenate 88668977.88 60461976.3 70466864.03 55112858.55 50350291.93 57636868.14 112065212.3 113441959.2 113715003.7 81069402.72 85362254.79 88524886.62 112092571.9 116638627.1 117978577.7 323437459 344427630.4 326556896.7 275778827.4 316752482.7 365835218.9 521126434.9 527564123.3 563604119.3 354212375.4 452251975.4 400978475.4 589728475.4 477393175.4 542092575.4 486089675.4 568281375.4 567120075.4 524926367.7 540926367.7 541926367.7 378926367.7 449926367.7 439926367.7 611926367.7 700926367.7 613926367.7 4-Pyridoxic acid 9188884.107 7206559.25 9307625.753 8612377.72 7868797.832 8200222.545 8812787.239 10114179.53 9734010.017 9400778.018 9670603.536 9060333.188 7823239.228 9455012.289 8997915.974 0 0 0 0 0 0 0 0 0 1031663.416 2664699.416 1798621.416 1660201.416 1155193.416 1254871.416 1872051.416 1929554.416 1684239.416 1699548.02 1676776.22 1638862.02 2086457.92 1009079.52 1581805.42 2130635.32 1568507.32 1853749.62 5-phosphoribosyl-1-pyrophosphate 16646801.04 8046619.123 16764973.39 11029308.55 14466374.26 17492972.57 5732629.501 7480680.827 6336006.721 8477161.713 7407785.23 7970545.038 24330515.72 24147458.74 42052047.84 33710000.39 38252950.41 25791658.09 14720432.91 17275392.88 13950166.23 36559377.76 36228184.61 57460020.94 13379210 35708960 10708730 14604830 4359919 20027660 3557988 9901500 12336980 43105613.03 55605613.03 39905613.03 25605613.03 28105613.03 16905613.03 62405613.03 64105613.03 54905613.03 6-phospho-D-gluconate 38454078.72 26898437.26 44610797.34 34323627.26 30055087.17 37033744.17 36704879.66 39679670.62 30591853.59 35152516.88 35243790.3 32296987.26 32530397.35 38802504.95 43477990.75 172318154.9 176306415.5 150549332.7 161154258.7 158520381.3 145076406.9 177187161.8 182002844.6 150292113.4 128184662.6 165910662.6 144894962.6 154959462.6 124975262.6 150785362.6 130864362.6 152342162.6 164072062.6 234965460.7 229965460.7 244965460.7 197965460.7 237965460.7 235965460.7 223965460.7 252965460.7 234965460.7 acetyl-aspartate 1091106.772 911807.7866 1127407.903 1558712.048 1211528.214 1238681.955 1323346.137 1369822.91 1341153.027 1140726.084 1167640.359 1160204.648 1378698.951 1371696.93 1426224.142 6750566.934 6535991.842 7155385.39 5388980.674 6477230.623 6418791.45 7583855.2 6823095.005 7331149.119 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-CoA 2634667.482 1491923.579 2964786.859 3594006.738 3156449.469 2814437.933 3857049.467 3364211.845 3576031.953 3539264.853 3219626.364 3236148.538 1513828.132 2367094.916 3932616.184 6986421.63 6129977.144 6259500.358 8410398.141 9260160.994 9526233.426 11293825.69 9749434.102 8890664.432 8964799.468 8886227.468 11075163.47 30587913.47 29401723.47 30983193.47 18337493.47 29740723.47 23838123.47 16951401.58 20351401.58 15851401.58 29251401.58 33051401.58 32951401.58 36951401.58 40151401.58 34351401.58 Acetyllysine 3750732.269 2966650.12 4008932.038 293358.6285 121174.0291 110598.6281 316890.4149 676123.8023 442582.8858 68793.29076 51418.64141 22782.95139 4729815.11 4591484.09 3973420.959 4612323.641 3339300.141 2880508.836 60083.15329 104049.5176 142795.5835 4420851.835 4786828.293 4553545.04 17155873 16858893 18225473 9808290.003 10375273 9730799.003 23830583 22299713 25960793 27690639.53 28790639.53 29190639.53 5340062.532 5964109.532 6456627.532 27390639.53 32990639.53 26890639.53 aconitate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4316989.649 4168431.445 3063654.317 3903293.727 4127757.95 4734052.801 6765252.389 7148866.267 7095510.43 5101540.324 12038546.32 9630060.324 4772949.324 6549583.324 7343046.324 18153656.32 9168332.324 21207332.32 16292497.72 8366949.718 15692497.72 12092497.72 15492497.72 14292497.72 14892497.72 20292497.72 16992497.72 ADP-D-glucose 3260388.509 2332221.829 3300357.783 2978537.652 2653186.298 3115635.945 2718966.131 3097433.515 2631733.734 3180802.366 2903033.191 2871927.043 2883899.538 2904773.598 3322098.308 6975004.178 7171385.977 7042142.835 6028238.563 6009175.256 6007365.092 7249901.619 7456681.21 6870140.401 4125708 6509684 4768706 4870121 5307404 3307841 5845812 5931840 7937981 17200000 17400000 16600000 14000000 16800000 16600000 15900000 17800000 16200000 a-ketoglutarate 120003012.9 83482360.55 123811396.7 94363247.44 103161333.4 98424036.3 92038001.37 91401041.06 91441112.78 119791755.9 116493991.9 138601379.4 144067968.4 159063365.2 175421622.7 343150078.2 323770573.9 318938721.3 288527892 317776649.5 367745704.1 336405276.9 375125190.3 413596794.8 1111338058 1019437058 1112069058 1252668058 911392557.7 1978265058 940819357.7 1326556058 1075487058 1118532699 1378532699 1458532699 934532699 1068532699 923532699 1718532699 1808532699 1638532699 alanine/sarcosine 6281975.527 6012117.277 8198402.494 5849666.19 4688902.92 4839121.244 4715598.966 5142570.138 4578768.411 4129885.989 4846451.196 4783700.654 8909211.119 9908882.314 10401478.25 7246347.647 6620957.48 5743587.832 4095799.041 3998127.133 4556500.903 9311970.442 9747748.413 8886443.308 13779866.2 16990946.2 14413796.2 14114206.2 13143006.2 8306186.2 16631056.2 16681336.2 18867196.2 25688423.62 24188423.62 27188423.62 17788423.62 15988423.62 23588423.62 23888423.62 28588423.62 24088423.62 arginine 8182446.422 5705058.026 9526936.713 1747010.092 1604987.276 1628259.037 2063131.995 1600882.883 1125694.276 1344645.145 1651162.14 1113583.81 4053058.494 4375828.367 5664829.21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 asparagine 70985061.37 71178023.12 89337737.7 55897148.91 44846577.53 46751216.73 62149738.55 66943134.81 52749983.78 49362423.84 53981711.1 47168596.42 74316114.64 74787970.1 66812717.09 41169714.86 39187108.08 35544964.68 25580422.79 21574595.8 23965487.78 37773400.77 38848785.26 33888597.81 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 aspartate 257802376.8 184046547.9 253381639.6 202111391.9 175667152.9 164957434 232116530.9 252816489.4 245024474.1 151177088 163906734.2 173020584.6 310927647.3 343753476.1 307088848.9 266434002.8 248333937.6 242600138.5 113446705.2 134333026.9 184109465.8 374018424.4 383995126.1 384365337.4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8504395.861 8973941.861 13344981.86 11963635.86 10560969.86 15919381.86 10857591.86 11097109.86 10400659.86 2820827.527 4509276.527 2783500.527 2380269.527 3423623.527 1531206.527 4972903.527 3240431.527 3330961.527 CDP 8639068.27 4703363.611 5583263.468 12219294.31 12698634.83 15199713.34 11362075.58 11774221.49 12105934.89 13065945.78 12933448.81 14513929.96 13619938.7 9394280.809 11428693.85 14701849.56 16707844.78 20173046.44 19894535.18 20104256.66 22715239.27 33182181.72 32098626.17 43747289.4 15881970 21032350 17619990 36133620 28969560 43265280 31128410 47109160 35390780 34497344.28 33097344.28 36397344.28 43097344.28 47197344.28 49797344.28 36497344.28 41897344.28 40297344.28 CDP-choline 325051.9796 238550.3675 334626.1141 465241.034 406744.484 400011.5917 385974.3122 401710.0841 373340.8003 101091.0049 314834.8106 277516.466 346081.8647 370501.4519 384394.2669 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-ethanolamine 12514637.5 14471743.98 13701187.54 20368433.64 18054750.79 20645136.18 17254155.81 19861628.48 15679310.3 16875637.65 15771249.83 14768340.27 16859637.2 15339307.7 13796664.15 40637193.76 40634883.15 38676399.34 39905546.73 36756510.68 43216496.38 45856757.92 47730354.73 50967147.81 99611670 148708700 110306100 168578000 158127300 101638460 330866200 347341000 424464200 145000000 141000000 141000000 172000000 205000000 216000000 149000000 174000000 157000000 citrate/isocitrate 17066659.97 11711474.22 22784049.55 58478531.51 50089064.6 60783928.09 78061102.26 88177908.54 84716015.72 44594213.15 48612142.46 45924937.04 120330447.6 130521227.3 153862136.8 70640458.85 68687348.86 55228922.21 81535441.02 97874135.02 134536283.5 318770004.8 309316311.7 279774138 4100371273 4002790273 3892119273 6064619273 4058143273 7177781273 3527236273 4602131273 3920665273 6500000000 7620000000 6330000000 5860000000 6980000000 5450000000 8310000000 8510000000 7830000000 CMP 5556648.489 3136204.199 3233108.443 8390326.764 9720491.299 8850059.5 6125978.676 5436519.09 4986377.949 8094726.123 7357798.072 7503474.933 6466865.285 4318413.808 4614645.591 11159381.74 10936362.45 11398563.68 17437638.05 16634585.26 17215173.76 14094040.65 12522006.23 17971133.34 16106975.27 21457925.27 17504455.27 31111645.27 25817765.27 27714765.27 25964055.27 32333185.27 28886015.27 16100000 14800000 16500000 31500000 33700000 39800000 23500000 32900000 25400000 coenzyme A 607113.7855 576728.1486 1239506.383 751216.9935 420614.5447 545276.2281 572786.3323 629394.0329 841495.5196 633641.9612 630147.0075 239073.9689 665150.4587 1053740.544 1456512.66 1419376.767 2142605.844 1580243.308 1393028.705 1409434.389 1395452.97 1961211.547 2569042.614 2314047.623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CTP 64645785.19 45082457.68 68861964.76 121095005.3 113852180.5 130858546.4 107883959 133021161 114317201 105412633.1 107050254 106131102.5 91983391.17 103094382.7 113143667.6 84419898.65 106125616.4 95281432.68 111851253.1 140847613.6 166783392.7 212395825.4 224193708.1 193093845.4 131708964.1 186244064.1 149587664.1 309498664.1 263271164.1 349982464.1 233618264.1 269255364.1 295751564.1 314162853.6 339162853.6 297162853.6 353162853.6 447162853.6 393162853.6 428162853.6 438162853.6 419162853.6 cyclic-AMP 302997.2899 244554.6414 316801.9236 316952.665 329633.0769 291276.92 336079.8608 312232.6947 343463.5739 286226.8819 256872.6962 284608.635 370337.367 358304.7213 349056.4432 818651.3751 889748.9373 722694.7568 843754.1587 830226.671 928742.9685 777241.6588 818406.8007 797055.4448 3835679 4284244 4329328 4618617 3695337 4105067 3923131 4189551 4471672 6593436.486 7009858.486 6662892.486 6537266.486 8334058.486 7784134.486 7045940.486 8129403.486 7231949.486 cytidine 444071834.2 394387663.2 422825829.5 438457355 401069065.3 394657152 430809984.9 472676185.5 425274644.8 423872063.6 418935481.4 424274070.8 355584368.7 382761118.1 341203890.8 675507244.8 634178664.7 559759939.8 718630821.5 711159326.2 632354766.4 571449135.8 621986727.8 658346624.5 2642269238 3439704238 3009086238 3077938238 3055219238 2498912238 3038285238 3181709238 3655021238 924944267.3 1059944267 730944267.3 407944267.3 770944267.3 330944267.3 1109944267 1409944267 1049944267 dAMP 766518.983 394828.444 262165.3346 331835.3755 353732.4788 330883.3373 334047.1338 304807.1118 340598.4672 576364.7177 511737.4279 668526.4397 365319.3838 171748.8715 278755.0298 1764736.762 1725551.725 2323178.074 1880544.385 1600141.29 1624014.971 1553386.169 1355217.648 2027850.233 2577485.39 3304702.39 3382461.39 2213130.39 1768053.39 2172979.39 2244595.39 3232794.39 2698622.39 5115743.726 5447198.726 5496456.726 5771297.726 6927468.726 6716288.726 4305670.726 4516700.726 4000362.726 dATP 31694608.68 22832160.93 34576814.29 24762684.04 23333684 26172281.73 25675482.22 28137853.67 23572954.82 29958157.23 26790077.1 25548889.3 19969033.86 21808347.99 24115785.9 89094374.91 99441105.86 86769790.34 101447966.7 104439935.7 86270199.4 69292035.41 73905751.35 64035500.65 80229137.86 109065357.9 94146347.86 96575537.86 81355137.86 101413557.9 66881547.86 81461627.86 86762437.86 143395139.6 146395139.6 132395139.6 120395139.6 145395139.6 131395139.6 129395139.6 141395139.6 131395139.6 dCDP 1677291.796 793993.9447 1008362.722 1520026.475 1510717.634 1725312.903 1675144.896 1665231.771 1729393.122 1797759.321 1722837.16 1931025.079 2279978.684 1551980.591 1954763.652 3010648.021 3060501.434 3589854.16 3465756.099 3400065.311 3864717.925 5923350.42 5878717.342 7889584.292 2480695 4123643 3380009 4145549 3880843 3306766 4532504 6649108 5290926 3236485 2774325 3478556 2878317 3059702 3982182 2350065 3125701 2841804 dCMP 816558.1053 580972.146 631060.9122 887957.8612 990061.4815 1022118.388 719644.9073 761793.8931 770798.5587 1053333.946 935606.0477 1167948.081 1157345.934 1060147.918 1135787.101 4325873.342 4531249.418 4829337.049 4943760.707 5125683.446 5707345.298 6009387.401 6442785.668 7672324.238 7067834.659 9231917.659 8399622.659 11890846.66 9374824.659 12683646.66 9047753.659 12352876.66 10016966.66 9155880.679 9121809.679 9385720.679 10796500.68 11896500.68 13696500.68 4192533.679 12196500.68 10596500.68 dCTP 9780160.61 6250356.055 11033461.74 12788744.6 11500001.19 14273710.54 13413371.98 16178174.14 13412486.99 12407806.49 11803586.54 11926584.25 13434804.56 15033390.88 17347036.78 15240921.48 18676119.38 16908829.99 19209801.11 23301421.01 27518499.92 37521858.86 40190056.81 33298338.86 58183784 79258184 70683244 86156814 69334314 87207354 64839024 73593764 80082544 68621373.03 74121373.03 65421373.03 54221373.03 67621373.03 61521373.03 64421373.03 68621373.03 62521373.03 deoxyinosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 335337.308 225415.808 166393.508 344453.408 150279.408 715508.608 16363.708 241412.908 49159.908 1906806.829 2215490.829 1880445.829 1633055.829 1903131.829 1650898.829 2000763.829 2198765.829 1912096.829 deoxyribose-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8277671.893 19308483.89 18365105.89 24115223.89 20138183.89 13895853.89 19006171.89 19266079.89 22327803.89 34588172.09 32288172.09 35888172.09 34288172.09 39888172.09 42488172.09 18388172.09 13088172.09 37688172.09 dGDP/ADP 296532480.5 167546534.7 221723737 219381369.3 220066485.7 257742021.4 194679177.8 207033496.7 205538950.1 242912316.9 231212415.7 247521937.2 263955638.8 207359758.8 255504240.9 492028335 526049302.5 567806064.3 492892399.3 467871627.7 432730882.5 577850927.2 573449295.8 730722880.1 16128237.5 22312897.5 18247037.5 23568197.5 18740017.5 26637717.5 1540269.496 4757705.496 26652017.5 1347841157 1367841157 1507841157 1167841157 1367841157 1317841157 1187841157 1277841157 1257841157 D-gluconate 31599713.51 65923735.14 91266625.88 60531437.37 69198747.49 125785688.4 20322498.86 22117060.76 17342961.37 51814306.54 67588971.01 31923716.05 51214703.29 47154211.4 136135565.9 195462889.9 169217423.9 159116745.4 208038636.3 201181656.8 193811628.6 172397353 188244227.8 203146096.7 632465860 794215860 692310960 806835560 644229160 595757360 642976060 747241860 745970060 814990322.1 175990322.1 488990322.1 106990322.1 394990322.1 442990322.1 938990322.1 330990322.1 178990322.1 dGMP/AMP 49875591.19 25226288.93 22670504.74 24157767.12 30016960.35 26782140.88 22107913.13 20476312.59 23284968.12 37942797.18 33953836.36 42507098.56 37522868.37 22161108.41 25458021.6 125639179.8 121907896.7 167751665.3 104780635.6 102968869.1 102870234.8 152201671.2 130783679.5 209154135.2 173133233.2 215728333.2 208011033.2 190957133.2 156491133.2 202286733.2 194977233.2 260364033.2 221327633.2 305196988.2 319196988.2 274196988.2 277196988.2 301196988.2 308196988.2 203196988.2 237196988.2 207196988.2 dGTP/ATP 1569702876 1157737878 1654362466 1432324941 1353601145 1525212659 1287179520 1492259275 1290789511 1429615974 1382932814 1364288031 1454159919 1550069540 1686030060 3189852991 3541241702 3143011069 2971885163 3091569027 2895052062 3354038253 3547277074 3307692469 4097862718 5425150718 4591277718 4916762718 4160252718 5093732718 4516880718 5240302718 5667749718 6013164485 6353164485 5693164485 5083164485 6083164485 5703164485 6413164485 7143164485 6443164485 dihydroorotate 243029921.5 375948203.1 348102622.5 23738894.12 20134041.91 25365673.83 6174736.766 6922629.86 6153777.411 67910954.4 44886058.2 45141829.57 10941464.04 8913058.7 6610530.645 558668424.7 566721246.9 521681289.9 430485747 306693584 185832148.2 37069361.08 31338179.26 30927325.22 1319153949 1598854949 1291835949 98915448.78 89664558.78 84959888.78 102030448.8 106088648.8 116130748.8 1429950431 1369950431 1349950431 189950430.5 197950430.5 207950430.5 57650430.53 83650430.53 62550430.53 dihydroxy-acetone-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 137417560 146549636.3 129805074.8 101412823.5 107184874.2 112356177 143045616.4 109626855 83322108.13 341324191.3 305566191.3 414334591.3 322821791.3 399223691.3 199655191.3 470387291.3 336338891.3 533046291.3 298984855.4 379984855.4 384984855.4 537984855.4 607984855.4 638984855.4 343984855.4 167984855.4 393984855.4 DLH 27071902.5 21230539.74 28522570.68 3982826.383 3667632.929 4026884.856 3779593.32 4530936.788 4213527.248 3494031.579 3429672.407 3152724.761 27118480.24 30717078 31043167.95 66164590.14 65615114.68 59162271.76 5088259.125 6402095.357 7655364.231 57319551.06 61494393.87 59842611.71 38869580 48684820 43235380 18253540 14394660 13579240 51050140 57080580 58228250 189000000 175000000 187000000 35400000 44100000 36500000 223000000 263000000 227000000 DL-Pipecolic Acid 51611615.89 50270799.12 83922104.21 15798128.96 13632069.15 15108439.04 6752274.025 7644486.154 6458599.57 7526480.062 8389637.947 8375836.408 56037162.59 70562714.14 77272661.44 76113089.5 66094175.97 62374755.86 6168217.898 8167182.88 10306918.01 55148574.89 66055184.47 65446849.39 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 DLS 11909055.05 9906915.911 11844045.78 2438815.655 2368379.308 2160016.718 2614606.494 2807080.364 2794711.963 1799167.428 1709108.775 1481769.007 10744743.71 11774616.98 11697085.88 1739168.561 1851351.974 2037197.316 1109676.671 1154976.58 1264924.528 2533563.616 2400096.649 2210553.867 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 D-sedoheptulose-1/7-phosphate 24759913.7 22463012.98 30749422.29 24179786.2 22264206.72 24791927.02 24669053.95 29812927.58 23261545.34 23494668.79 24211155.81 22407742.21 28995171.46 36914611.94 38639638.23 77600670.09 87551242.04 87940067.71 60824584.4 46091261.47 50347403.68 76187118.67 74036292.27 71451140.22 124530711 164180391 145917791 183502731 147811191 190525211 122688191 194085391 149732411 126998295 113998295 135998295 79498295 87598295 95398295 83198295 107998295 83798295 dTDP 2568587.435 1183665.834 1449634.92 5180595.425 5494329.73 6587763.99 5560764.683 5104268.767 5785493.194 5018497.855 5333839.093 5942552.576 6902215.025 4742452.335 6273643.486 4331989.638 4430937.992 5089343.47 7149531.308 7033062.882 9157929.878 17515112.26 17614900.01 25851946.15 7245860 10063620 8709311 23492910 18389530 28077810 18297230 29520830 20782800 29590622.81 29790622.81 32390622.81 42290622.81 47890622.81 50490622.81 35690622.81 40890622.81 37090622.81 dTMP 534222.5578 311884.3773 190834.3982 565818.5499 780229.422 631692.344 616154.742 519146.1632 664023.0792 979951.214 911258.9592 1187124.585 980698.2062 514556.1277 605339.1933 1149849.705 1074730.416 1396540.899 1464124.843 1474254.347 2178944.793 2804287.866 2413076.402 5205037.212 1616165.758 1904541.758 1824558.758 4538810.758 3625233.758 5763522.758 3323689.758 5270058.758 3415185.758 5722452.58 5991137.58 6613686.58 8495624.58 9494412.58 10160953.58 6095889.58 6612253.58 6938420.58 dTTP 18607482.39 11111846.19 18408757.76 53007323.03 47647211.23 57547483.73 53704470.63 65522089.56 52807364.55 43428082.25 43236377.1 42923713.02 50143023.3 55908973.59 63844179.77 37967055.32 44242582.1 37734830.28 61240822.18 71187487.78 95823958.66 158184222.1 165031831.2 150745136.4 81817987.78 119215697.8 99982697.78 238437897.8 189167297.8 240771597.8 190494497.8 226013397.8 250567897.8 213984441.8 236984441.8 219984441.8 264984441.8 366984441.8 317984441.8 353984441.8 386984441.8 353984441.8 dUMP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36357.8844 53978.1544 10000 332562.6944 205884.6944 207935.4944 200299.1674 289809.6994 236028.8444 10893.9194 51701.1594 63147.6494 328504.3694 381620.6694 480758.3694 34113.8194 64290.7494 137550.2694 dUTP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2316499.101 2328554.352 2376464.334 2143443.292 2243726.079 2239253.32 2925130.91 3019762.814 2480327.696 7963059 10846320 8809457 9066097 7043352 9517204 8116154 9292270 10056230 11600000 12700000 11100000 8521380 11000000 10400000 12000000 14000000 13200000 FAD 1922079.684 1307943.325 2056299.764 1645135.094 1451225.099 1784078.947 1526812.15 1739973.981 1488870.803 1610259.811 1624079.481 1456527.761 1768613.195 1732403.632 2020103.433 3814325.552 4113365.636 3728792.839 3451880.354 3654963.831 3268156.565 3994385.449 3725206.992 3947156.195 10149290 12528460 11076310 11234190 10043800 10800020 9630846 10934670 10654720 11600000 12000000 12000000 9647324 11400000 10800000 11300000 12600000 11500000 FMN 236572.9007 142648.9208 214180.9699 232897.2898 234780.7245 280352.6895 204452.1279 271823.031 261039.0397 284984.6042 263260.2698 293725.847 218269.0671 242352.3189 237200.8836 609083.9365 513597.5234 601150.7425 605940.6146 536973.3865 464348.4296 772717.4468 637237.4791 483412.5023 762666.8 1256481 925759.1 1181728 1082936 1114121 826045.5 1035195 1033227 1666921.958 1655130.958 1571587.958 1370067.958 1969828.958 1686153.958 1873222.958 1575060.958 2256876.958 folate 4783400.17 3568417.447 5527004.926 4953425.736 4455766.617 5422887.881 5811873.139 5984378.76 5245617.105 4702159.701 4973295.109 4161785.884 5593104.005 5669396.563 6463288.466 14603946.1 16292958.32 14031994.92 13402676.68 13725536.93 13686806.07 16447708.37 16668856.9 17410361.42 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 fructose-1-6-bisphosphate 115859085 87632418.92 133111445.6 103627450.6 88899544.72 114433277 92478349.09 113385716.5 103828014.4 100855777.2 109340334.3 109666671.5 107691091.4 122196326.1 129722508.8 210326153.3 223910788.5 189061601.8 158969156 163323661.6 172567359.5 251281052.6 223976447.2 183703455.3 215540976.3 361598076.3 222945276.3 182486476.3 140828776.3 153461776.3 247746576.3 153968076.3 298640176.3 73908821.7 77008821.7 72808821.7 62208821.7 75608821.7 75708821.7 71908821.7 50208821.7 76308821.7 fructose-6-phosphate 241081788.7 244682128.3 339878313.6 228977473.6 241135933.6 274754554.1 296941946.3 286837086.8 242174665 220051552.1 261336751.2 189261690.2 177635665.6 262867909.5 310575458.5 99026956.88 105254873.3 104619541.5 99351352.21 92912016.6 87283289.8 98876907.78 95681795.16 92944714.45 157280643.8 266825883.8 172051063.8 184624443.8 250437883.8 30871663.78 86103093.78 125378183.8 97210143.78 61600000 110000000 63100000 20800000 95000000 21100000 127000000 120000000 118000000 fumarate 115565886.6 99140103.66 143748332.1 82952831.29 78491221.06 86788558.44 65490187.69 73010825.51 70684884.79 80439850.32 84135410.41 80144550.27 164618188.5 185139640 196010615.7 36634046.62 34492430.51 32760354.07 19021641.02 21131412.64 26522939.49 51340428.59 52826055.33 50812534.35 321735377.7 362079377.7 338101677.7 320376277.7 261254677.7 366016777.7 47422217.74 51973107.74 58766507.74 850454804.8 958454804.8 862454804.8 471454804.8 569454804.8 559454804.8 705454804.8 797454804.8 703454804.8 GDP 28146097.38 15129886.71 18516657.5 17626980.67 19726446.01 22276736.39 15552961.68 16961133.32 17618758.87 23368085.55 21002407.16 26128847.49 22042216.84 15188594.78 19343968.34 38330290.68 41849240.63 50416870.23 39182803.38 36570314.18 34308845.86 41159468.32 41077063.18 51477953.12 24552597.06 35130297.06 29026597.06 32808627.06 23877087.06 45196007.06 30041387.06 44694587.06 34308177.06 73783591.64 72283591.64 65883591.64 52883591.64 63483591.64 61983591.64 51783591.64 57783591.64 53383591.64 glucono-lactone 8090177.183 8468510.55 8974838.626 8429777.543 6931505.043 7913514.426 9226802.105 9300187.977 9121965.703 7648913.721 8213228.189 8168633.797 9659727.384 8253810.046 8300550.42 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glucose-1/6-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1253708804 1617745904 1319842604 1248503204 1034441204 1026810104 1181335004 1161108404 1471156904 679996753.8 827996753.8 665996753.8 511996753.8 829996753.8 623996753.8 597996753.8 932996753.8 806996753.8 glutamate 7909789439 6615279182 8422832837 6049705857 5966939085 5719232222 6417617963 6822781902 6505059675 6743875697 6644447231 6596591769 7422998700 8128310864 7751308407 11530142882 11634475860 11120349059 10727000223 11273791722 10727527459 10579953948 10898475448 10770508747 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glutamine 795449821.4 863239861.2 997910245.4 796584976.9 706370506.9 772985290.3 844376205.5 950490731.4 782201451.3 814754002.9 820424086.6 722686415.7 906677385.3 891317287.7 839391176.5 658775680.5 630792262.2 577963448.8 511727199.7 491052326.7 505953611.1 620370262.9 615725761 585369004.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glutathione disulfide 320841797.9 224897881.3 252989621.7 257866938.8 269592742.8 296159716.5 267194651.8 301386055.3 213298926.1 225549258.9 226264417.6 267269466.2 415907247.5 359690069.9 322918168.5 604214974.5 492117522.5 585292187.2 445171675.4 456218037.6 511013166.6 795851695.9 735688589.2 637539460.6 1796854437 2508788437 2042393437 1944884437 1550606437 1541084437 2059848437 2239589437 2428353437 2729948949 2869948949 2769948949 1999948949 2349948949 2509948949 2589948949 3109948949 2749948949 glycerate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2481773.797 2135617.96 1631443.947 1712775.336 1732240.094 1720379.783 2082764.467 2258847.943 2130496.65 78038378 81767868 77553488 91065798 64866268 114644948 115882268 182305948 135052348 104183239.5 100183239.5 101183239.5 79983239.48 99183239.48 89183239.48 89683239.48 113183239.5 104183239.5 GMP 18176500.14 8272560.015 10511734.04 10350766.04 12163832.17 12302016.85 5887530.554 5157406.023 4454621.163 12123047.42 9916065.487 10536092.95 8491860.249 5421722.313 5949540.631 97769739.51 95145567.92 102385559.3 97923633.84 82795683.79 69733826.39 49699094.44 48297989.25 61465329.37 67148828.83 78318488.83 73090888.83 77822228.83 54763268.83 68353458.83 64599088.83 76302878.83 68884128.83 91798029.55 106998029.6 91498029.55 133998029.6 155998029.6 156998029.6 138998029.6 167998029.6 138998029.6 GTP 136834353.3 100094498.2 155297779.5 118617429.8 112764708.7 125619285.8 93717807.86 118564696.7 107960386.3 122251236.5 120838741.1 129970013.3 103118565.7 116870675.3 121668644 222171456.6 266841752.9 237438676.2 223715329.2 267510554.1 238174002.5 219903100.3 232812755 207624520.3 181586090.3 248194790.3 210942990.3 216126690.3 184402190.3 263205290.3 182563190.3 205823690.3 228661690.3 253612086.8 267612086.8 253612086.8 191612086.8 228612086.8 201612086.8 249612086.8 236612086.8 236612086.8 guanine 4766439.936 4470741.659 5914365.493 4822227.748 3515047.014 4030968.569 4453660.289 4800756.566 3310876.626 4989831.392 5175744.599 4209021.356 2681409.161 2756350.214 3128286.789 13819920.53 11751626.52 10080684.88 16581167.18 17036810.95 14690157.87 8455810.535 8840537.019 8259777.973 53842346.84 57309606.84 55531506.84 53863886.84 45042616.84 56065096.84 39882946.84 46634486.84 44369966.84 46596922.84 54896922.84 47096922.84 41096922.84 47496922.84 42296922.84 43096922.84 46696922.84 40896922.84 guanosine 2054947.335 1204188.179 1857417.728 1235117.369 1113579.548 1249315.117 999136.1761 973383.5376 867191.2151 1318158.123 1241738.493 1316399.108 1386829.576 1265067.565 1534934.367 7997265.658 8153805.666 7989836.78 8316245.305 9233810.938 7931447.597 6508262.936 7186646.035 7780852.064 6183526.552 6520898.552 6740489.552 4469114.552 3614856.552 5524556.552 3190377.552 4266733.552 3458293.552 5063704 5177501 5018834 3907460 4623100 5114189 3322770 4358845 3718072 histidine 13606355.9 13320766.48 17121774.24 8115266.194 7048326.356 8279217.445 7434902.954 8135526.187 6370489.888 7139999.008 7367725.226 6546516.914 16820591.15 16828547.58 18397056.72 14162948.87 10959467.95 10217227.8 6179013.743 5700151.746 6181798.635 13328120.68 14332997 13526442.2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 HVDD 7061679.573 5183071.561 7844479.372 1015282.348 895763.543 1011586.915 807285.7756 1101916.46 1016281.289 815329.2112 887381.4446 749257.6007 7055760.574 8172286.457 8905250.352 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 hydroxyproline/Aminolevulinate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14622447.7 13227532.31 11686919.86 12239543.01 13542130.24 13424886.36 13248160.86 14690777.86 13550946.92 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 hypoxanthine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 101439026.8 88885251.37 56267809.63 100911812.3 117132760.7 111353267.5 94257214.62 94378479.06 60350616.07 3099187548 3161472548 3077659548 4071523548 2901272548 4337713548 2435779548 3235545548 2882912548 1659978761 1909978761 1629978761 1489978761 1779978761 1359978761 2039978761 2139978761 1909978761 IMP 67399048.17 52560208.9 74115799.15 43254568.82 41422368.38 47551837.62 41572004.17 48224676.2 42809951.96 48671921.98 46519742.65 45794133.41 66059037.08 65867139.58 73401852.08 180212744.7 191988685 181269770 150892969.5 158102497.3 141182303.2 195038006.3 203180116.3 195750002.5 10000 10000 10000 10000 10000 10000 192868421.6 228472021.6 225945121.6 537995973.1 576995973.1 552995973.1 322995973.1 401995973.1 376995973.1 461995973.1 489995973.1 466995973.1 indole 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3348501.292 3779199.292 3567653.292 3515378.292 3223794.292 4119815.292 2721669.292 3364226.292 3248802.292 4590894.613 5283066.613 4645834.613 4389442.613 5023881.613 3968032.613 4932824.613 5753805.613 4895884.613 inosine 21118765.76 24893671.75 43496921.97 26788022 16789036.17 21490018.18 22528529.57 25043927.92 13728386.61 19628696.88 23012481.54 15532253.47 19666397.87 28196603.29 35339260.87 58647556.53 52307601.27 37874108.82 49410279.54 59782694.33 57180297.62 64174504.42 68441612.81 47728606.86 278845912.7 261377412.7 285530512.7 261097012.7 204792012.7 264323712.7 194018712.7 249951012.7 200008312.7 64300000 79900000 63900000 54000000 62700000 53200000 80800000 77100000 77400000 isoleucine 135746957 130554569.9 206937780.3 190673350.3 155842749.1 146509248 161362202.8 171426892.9 129897467.5 130210439 160850435.3 149226350.2 155929675.5 198551376.2 184353079.6 176906131.9 149845231.5 115001490.3 148390508.2 177568588.6 168018125.5 169291793.6 186994699.4 158273638.6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Isopentyl-PP 2512303.176 1967805.239 2645414.913 2245417.559 2005329.718 2373347.451 2495053.949 2590674.43 2375366.059 2244335.227 2146117.798 2046059.903 2817184.014 2995881.374 3126135.295 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lactate 1149593585 2074983918 2514847358 1663022806 1165274430 1351053192 1670030903 1744460228 1003697105 1675114325 1996570897 1335980389 1812564185 2087820948 2576443134 3210171785 2746131679 2081624636 2204016162 2159218252 2466524141 3359310074 3170811636 2733274660 40743590000 41291770000 37810630000 43791460000 35941340000 48821820000 35463280000 42382730000 40484290000 53090600000 67990600000 54190600000 44090600000 49990600000 46590600000 69490600000 69490600000 67190600000 L-arginino-succinate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3004515.493 2877831.683 2820387.586 730898.0216 299160.7505 990333.0356 3302031.818 3525255.992 3255838.632 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LD 8508829.561 6326758.369 8469433.961 7644350.879 6985832.059 7474875.036 7163559.199 8061732.96 7972616.275 7010639.432 6908328.46 7390190.135 8122007.648 8729869.094 8239102.936 42172862.84 42704870.66 40271747.25 22572484.54 25129828.23 24599653.98 42557543 44841193.68 44611687.16 11663945.52 14268563.52 11470521.52 9423065.52 7364581.52 7265765.52 10640007.52 10169587.52 13347387.52 35028218.02 32628218.02 38928218.02 7904991.018 8945291.018 8955121.018 40228218.02 41828218.02 43328218.02 leucine 180536698.5 186155842.7 302793250.1 229554349.5 178655497.9 175993460.1 187421852.6 203052258.7 137786512.5 147956814.6 183986952.1 168993527.1 227162382.9 296131445.4 290604533 274075691.3 218558055.4 172362784 187050143.8 221249997.4 219538437.5 290619607.5 314564317.1 258757822.1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine 44006984.65 33317014.1 44253415.76 4539790.359 2864360.386 3972010.483 2931720.271 4557174.772 3480731.131 3992719.337 4162583.609 4423476.342 26613488.91 27293085.95 25811911.3 31331583.28 26492735.95 24489974.64 3737198.128 4241232.542 3878164.799 20521211.6 22425910.07 20992132.63 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 malate 451666529.1 379668959.5 558570691.2 334711420.7 321484340.6 353144937.9 271797825.1 305090297.1 293008626.6 324612558.4 334890981.5 323989251.6 686714575.1 774602932.5 818509543.8 1384619869 1373287162 1228211591 705811270.3 843164369.4 978094512.3 1814324272 1947496737 1897594685 7088483778 9189215778 7217864778 8395157778 6173906778 8247746778 2078420778 2788875778 2818737778 3269474006 3679474006 3349474006 2009474006 2419474006 2379474006 3029474006 3489474006 3069474006 maleic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 302416252.5 298575180.7 267780375.7 187371773.4 206867941.5 205807842.5 292146169.7 319050536.6 319546666.9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methionine 50532019.95 61344294.36 96569262.13 67697767.75 45515514.37 49364443.38 56491937.43 61421370.83 35609630.41 46069016.07 58831083.45 44979285.09 50343967.86 69313505.2 71184736.44 117398454.6 91090083.24 62881188.77 88754296.04 103685811.6 95902612 110125217.1 110016060 84700615.78 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 myo-inositol 15911269.31 75532045.14 80462694.57 34527625.66 17509704.58 28239314.7 39787502.96 43654579.64 15673229.25 45351435.97 53131273.23 27992958.46 53579442.81 53616368.07 65364954.04 119911657.9 94903224.36 67546498.02 67778495.78 57174743.1 67958164.3 102286360.7 90088299.65 73299228.31 1177561656 1330183656 1114816656 1260651656 1058884656 1085597656 1125358656 1352382656 1465709656 422321037.1 527321037.1 391321037.1 407321037.1 352321037.1 449321037.1 270321037.1 649321037.1 432321037.1 Myristoyl/tetradecanoyl-CoA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 456000.0311 477681.7747 389280.1107 561488.7702 492869.5319 355036.9839 498920.9447 515914.9835 344252.675 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetyl-glucosamine-1/6-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13969326.66 14330715.76 13726929.98 10640962.91 9945507.498 10225182.44 10549602.53 9729641.198 9529038.98 27337128 91304620 15201047.8 24295710 76899558 20007290 90913500 53435972 122608500 14252044 16326271 5572287 9926545 13845761 5745016 13389542 12936220 7783588 N-acetyl-glutamate 11916749.01 10010045.82 12699391.06 11494892.66 11281691.04 11367673.63 12516235.16 12667496.83 11886562 11661078.66 10981437.07 11191853.11 12822141.66 13696373.21 13675412.95 48230834.83 48849753.61 45717899.57 57652224.16 57906677.17 51717175.14 48978221.87 51171305.95 51842109.32 56885006.13 75777576.13 66309016.13 71228106.13 56544156.13 68454406.13 112558086.1 144613826.1 141751666.1 152857045.6 150857045.6 150857045.6 167857045.6 182857045.6 177857045.6 152857045.6 180857045.6 147857045.6 N-acetyl-glutamine 922981.289 838977.8089 1303175.773 1233904.434 1200723.984 1334110.554 326303.3024 333840.0548 316387.4605 616863.8212 619312.5061 606856.8456 1121788.653 1287587.854 1441361.996 1963776.642 1768327.932 1899784.851 1618263.111 1726910.623 1520072.709 1781608.624 2006371.223 1910715.078 8059735.136 19186707.14 11044357.14 15211213.14 9789989.136 30282153.14 7122563.136 12881903.14 4058791.136 7108685.538 8104272.538 7017163.538 9819153.538 7562274.538 7448309.538 8900374.538 8826832.538 9187381.538 N-Acetyl-L-alanine 5290598.305 4569652.323 7826810.966 12596420.1 12073937.32 12702015.76 2697065.709 2785159.549 2512221.304 4990667.452 6358578.396 6169882.063 6568723.878 8324922.351 9358756.916 13303217.59 12163144.82 11003064.66 13405128.17 13313706.9 12910964.21 14199636.08 15708668.44 14660056.13 76303394.96 98807244.96 80008034.96 108377445 73910824.96 91129994.96 71739604.96 93554294.96 104739145 19567910.36 18867910.36 12567910.36 22267910.36 25067910.36 26867910.36 14067910.36 16767910.36 18067910.36 N-acetyl-L-ornithine 8329353.447 6143545.202 7593087.067 1840333.079 1529084.99 1476384.322 2258083.833 2867954.028 2299739.918 1061413.518 986739.9654 725447.0278 9546850.317 9450504.179 7509526.689 11648953.8 12211136.34 9682438.909 1034476.667 1113743.027 1629764.533 13241253.86 12919892.25 11873486.06 41306065.95 47527525.95 47797085.95 26388915.95 24326025.95 20673085.95 53463205.95 48688855.95 59403995.95 87367022.42 84567022.42 87067022.42 18267022.42 19367022.42 20967022.42 88467022.42 117967022.4 88567022.42 NAD+ 50781174.18 39301582.53 49926474.98 50041287.62 45912243.62 46045600.49 49272698.99 52007796.86 48952471.06 45320138.06 45063995.31 44920708.01 50158837.17 56937442.43 51573452.16 104260438.2 108698140.9 100561175.6 97757596.97 97892306.41 100933008 113513666.7 112638482.6 112922075.8 866618344.4 1146495444 940759644.4 1130444444 922630244.4 1046879444 911745344.4 1110141444 1118533444 349998082.1 349998082.1 373998082.1 324998082.1 375998082.1 375998082.1 336998082.1 386998082.1 359998082.1 NADH 3021282.997 4132321.472 5832461.363 12333868.12 9986246.159 15142528.17 6768959.095 5278972.436 7331962.273 5303075.455 5521551.573 1116494.962 3378152.145 3342485.418 5479472.857 5528412.893 7263260.241 3665455.321 4762223.957 4319893.282 3460474.73 3989320.821 4087104.86 6229544.992 243423.8 1557658 319784.4 6088674 3756103 569694.7 360782.2 758939 1829698 1764945.69 2107610.9 7133326 422880.1 2423675 2886505 1964624 2019856 3089835.4 NADP+ 112695050.4 75840647.24 108406093.8 93233336.37 89589514.07 102189199.8 94277560.77 118249428.3 91606791.64 112613099.1 107019800.3 98142232.92 104307625.9 109035923.7 119429969.6 162321225.4 170651178.1 168795401.6 158938932.6 160605077.4 154726344.2 182753565 182841000.5 171730797.8 277420093.2 363089893.2 321722193.2 366995693.2 294544193.2 274757793.2 318551493.2 376134893.2 396318693.2 316911597.4 319911597.4 308911597.4 265911597.4 322911597.4 309911597.4 320911597.4 362911597.4 321911597.4 NADPH 11356020.27 14354406.19 38804605.11 46054328.37 30956079.5 43461486.87 19981542.86 16831433.17 26445221.05 16766664.61 16973079.44 14887194.01 11315507.4 13936943.22 25109927.51 23668321.8 38499542.16 25379908.73 24433998.92 23449471.26 23106968.4 22734714.73 23720246.67 29192375.37 4759931.09 5540714.09 2248831.09 22940613.09 19602253.09 120293893.1 2896104.09 12446973.09 9912878.09 1408274.073 1190724.073 9111969.073 5436465.073 6885511.073 7281945.073 3006063.073 1394764.073 4275151.073 N-carbamoyl-L-aspartate 2404982087 2066743136 2417811495 562125417.5 501260053.6 569446903.9 154495778.4 172398712.1 167306407.6 1149618917 971418066.5 1035934922 221581653.3 238498125 236281546.1 9711555768 9941817291 9734329800 9085035089 8640629508 6971315495 3089193519 3133527001 3094527724 9790360062 11908891062 10760581062 1351885062 1058079062 1257716062 1179757062 1451421062 1402366062 11699950602 11699950602 11299950602 2089950602 2529950602 2779950602 602950602.5 872950602.5 745950602.5 nicotinamide mononucleotide 1050269.963 422489.2794 1091256.453 1115688.163 1036734.098 1151219.572 1147325.784 1354022.153 1293336.687 1074333.267 1083176.727 1148684.511 1564265.683 1774898.142 1738894.833 1313347.998 1417095.809 1290237.135 1214007.543 1275674.084 1269117.892 1806056.216 1831405.893 1824275.497 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 nicotinate 3993047.954 3946048.246 5572699.858 6959906.513 6385371.807 6026665.772 5950092.765 5803119.179 4878629.635 5042438.846 5844009.916 4547169.541 4889381.811 5272551.82 5817683.54 20609084.04 18090207.1 15273813.15 23691533.18 26428391.42 26614526.01 26976246.02 27279107.26 23789079.85 365022566.8 366970966.8 374314766.8 402183766.8 278745966.8 525377166.8 120222766.8 175119066.8 134974966.8 109465058.5 124465058.5 103465058.5 91665058.48 103465058.5 91365058.48 112465058.5 113465058.5 109465058.5 Octulose 8/1P 1005656.383 906916.2285 843889.4756 1018087.455 1078029.945 1140119.141 1211272.461 1434395.185 1022669.423 1111535.401 1125639.134 1174796.563 1195536.337 1149424.757 938001.1136 4461556.978 4845979.975 4252893.191 6418618.556 8077251.8 7205674.674 5533643.864 6348866.059 4959977.165 46329912 62688752 33848766 53261268 56137266 31685400.8 65053230 56682666 29226534 17000000 15900000 18600000 12200000 17900000 16500000 16000000 19600000 16300000 Octulose Bisphosphate 7401251.293 4941104.84 8189752.539 4838647.786 4289591.009 5301389.631 5035373.651 5683106.724 5011381.321 5382213.281 4964291.794 5116233.594 7451706.696 8024117.921 9088413.399 14514836.03 16012009.07 14741758.63 9230193.49 9497881.63 9452477.772 16720342.27 17117761.42 16214953.12 4226607 6618272 5198170 4509137 3883268 4493322 5966052 6130154 7822628 7746171 7571238 7655764 5263130 5756271 6720991 7444561 9286563 7384595 ornithine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25431218.88 18897608.88 25156048.88 23236598.88 26229488.88 17997918.88 21831328.88 26839398.88 25140168.88 10475016.36 11875016.36 10575016.36 7926500.358 7924114.358 8102258.358 8080986.358 8615290.358 10675016.36 orotate 16555415.73 19742851.62 17619306.27 37900625.31 33763974.57 32568821.51 21044978.12 22135922.6 23140438.98 157574748.8 151711901.9 151223197.9 24149235.52 26378972.18 24142648.59 21094863.59 22784053.47 22557578.92 39289081.59 71208098.56 137387098.5 74081769.07 78287311.05 87220682.55 75040110.6 81224170.6 79021990.6 103755500.6 79888650.6 108645200.6 71964480.6 88314460.6 86667130.6 238000000 250000000 239000000 202000000 254000000 227000000 174000000 169000000 156000000 orotidine-5'-phosphate 349397.5352 241240.1595 529720.4674 379916.5412 365058.9702 481209.0376 309713.4673 359214.4218 301024.0781 817791.8807 713929.2627 816067.8857 674683.58 802368.819 1013053.363 1118106.082 1355666.881 1353460.739 1020724.346 1297660.078 1603472.501 2891677.286 3435507.472 3401498.325 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 pantothenate 2359905.903 2367731.035 3243890.605 2854674.381 2571113.228 2475513.904 3374647.931 3082372.125 2674368.651 2582225.156 2723529.882 2557263.428 3083469.958 2946313.391 3271613.91 10414170.67 8542796.927 6869110.865 10632789.12 11410665.77 11075754.23 10653797.4 10761702.66 9374477.871 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PD 535089269.8 395602419.5 531532594.4 140421969.2 129118599.9 125803953.5 147593165.2 176028766.5 154795285.4 114374904.8 114439841.4 110414735.5 505630724 574043199.2 515954597.4 872947467.4 851863674.9 805615439.7 86708181.73 128064588.5 173927636.2 859583599.8 879744357.8 842241781.4 1087565830 1289429830 1220319830 581872830.5 490066230.5 462604230.5 1099565830 1174948830 1184635830 1569992904 1529992904 1629992904 540992904.1 624992904.1 627992904.1 1319992904 1539992904 1389992904 PE 150571571.2 104730633.2 134903275.5 26955518.44 26585718.47 25932931.61 33699046.59 34940637.57 29135992.45 24883149.33 23814228.83 21539731.81 135737379.8 136025556.5 135581820 128074697.3 116072502.6 106994000.1 12888311.32 16836582.71 20822097.74 111934375.7 115732639.3 109377600.8 101678272 118320272 114000872 47435992.04 38830552.04 40311092.04 109694172 116777672 119993672 487921238.9 444921238.9 518921238.9 132921238.9 149921238.9 153921238.9 498921238.9 622921238.9 551921238.9 PEE 11183548.75 8234743.222 10523608.62 2023954.514 1915527 2076827.342 2018830.31 2399984.56 2122936.625 1571080.266 1622124.569 1560183.621 11968854.38 11995520.08 12334470.53 31591400.95 31731632.53 28635783.09 3134609.193 4091673.753 5199291.985 31237785.88 32190785.21 29945069.15 25444890 30181030 28576140 12124530 9507042 10615280 31458690 35413560 34778640 138000000 129000000 144000000 33800000 35400000 35100000 160000000 183000000 163000000 PEEK 1205969.246 900981.4819 620398.3174 47201.43858 23067.69657 40268.82929 40901.43924 66026.7835 125932.0266 12930.98814 63970.85929 51868.7842 1159503.136 1313534.897 1235950.246 2214723.072 2146075.389 1809078.167 70002.36656 91084.35319 77512.56806 2024232.138 2011039.396 2000834.623 5446889.267 6638237.267 5851885.267 2359793.267 1761484.267 1621629.267 7226407.267 8522557.267 8614842.267 9459406 9474094 9550246 1273054 1037345 1662656 9622440 12600000 10500000 phenylalanine 314611105.7 346209436.1 526328425.5 362685446.1 281843341.4 316121795.7 303332694.5 316422430.4 210126571.7 249382517.1 302373637.4 247686709.9 385989602.9 482286145.2 536947074.5 648159229.7 549158151.6 433705825.4 427192453.7 528240947.4 525616155.5 763903447.9 807497187.1 664345810.8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylpyruvate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2975694.778 4686893.778 3130804.778 3746846.778 3429108.778 4733364.778 1863423.778 4860059.778 2423458.778 2048439.134 10000 122109.534 2560411.134 2723352.134 10000 270314.734 231315.334 2744710.134 phosphoenolpyruvate 21939934.67 14245497.85 24292242.26 21217589.9 18633477.98 24378308.35 17502175.5 20632848.14 17536189.8 23519708.63 21232760.6 22703100.87 18056879.14 19542502.68 21613085.83 92210048.78 101872359 83967134.49 104786949.7 106726880.2 90262462.7 86421935.2 84483275.19 82019455.92 95467438.18 124495528.2 107414328.2 122958128.2 94895388.18 132153828.2 94047218.18 117069228.2 118151528.2 236968696.6 272968696.6 227968696.6 224968696.6 264968696.6 269968696.6 285968696.6 322968696.6 280968696.6 p-hydroxybenzoate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1638869.312 1613900.312 87424.112 2321034.312 1584722.312 3570054.312 1330648.312 2769478.312 1318776.312 10266752.36 12266752.36 9866752.36 8498859.36 9866752.36 8448954.36 13166752.36 12666752.36 11066752.36 proline 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 50903695.84 42888519.2 34643075.4 32295857.99 38553218.76 36657915.06 51640944.08 55634443.29 49075608.19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PVNF 7790584.391 6055701.227 7816876.572 1080577.549 1073257.074 1027267.599 1014073.817 1222289.526 864322.7985 912570.5927 908301.1931 801871.2577 8921692.868 9457589.371 9756384.164 35648013.2 35491007.02 31247447.9 2056508.918 2794040.757 3721739.49 38217729.71 39349436.61 36951704.73 26970936.93 30502036.93 30192636.93 2302645.934 1784916.934 2057614.934 34986446.93 42121816.93 30164866.93 18092714.44 17192714.44 18892714.44 5828184.436 5940283.436 5633110.436 57092714.44 69192714.44 63692714.44 pyridoxine 7051632.391 6380217.237 13253037.33 12578445.68 7538876.528 7483860.364 10378889.71 11124231.07 5590160.616 5687432.107 8145728.323 5742458.403 5741951.227 9860295.239 9837456.518 11059003.26 7916691.896 4820210.328 11058788.52 15373293.73 12918223.59 13350391.39 14572288.68 8826568.319 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pyroglutamic acid 38361301.54 61749428.52 74894215.18 73210432.75 61327721.66 67856291.89 57094664.74 55371231.53 36687504.47 49752949.22 59585182.11 45171687.86 50036434.54 55932660.53 58183482.04 167793062.2 141625278.6 115326301.8 180980977.3 192121195.7 185702492.9 201748846.5 201413537.2 181920479.9 6044791000 6403972000 5595632000 7223108000 5752630000 7637173000 5355373000 6604246000 6185328000 7356770049 8186770049 7616770049 7036770049 8096770049 7006770049 8706770049 8276770049 8706770049 Pyrophosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 65491239.12 74997579.12 10519023.12 31624749.12 39899157.12 97597179.12 15497379.12 25234899.12 16136457.12 9832667.498 8488680.498 8934125.498 7060567.498 8968984.498 8810038.498 8914308.498 10038789.5 9044275.498 pyruvate 25396801.29 25992077.18 44687007.81 39028779.33 30936797.59 44949636.12 28193651.36 26884991.07 20045424.9 41895274.43 48005319.29 43866863.47 32165050.02 45651065.02 66900697.97 103353772.5 85419607.04 61936173.74 100557736.2 131951224.5 134362750.1 112659697.5 130293296.1 130128785.5 1541853964 1390104964 1824419964 3012348964 3222519964 3969991964 1879123964 3267719964 2269835964 3088300000 3278300000 3018300000 3408300000 3448300000 3198300000 4438300000 4708300000 4128300000 Ribose-5-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 280042437.5 252383276.5 248047188.5 230773273.9 215914390.5 216616425 243116846 237514201.1 212797722 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ribose-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 92606347.14 106615184.6 116069156.4 56086051.28 43819897.24 48504375.85 86353699.43 82744774.47 67410450.36 190620021.7 236726221.7 249043121.7 152233521.7 304510521.7 130298521.7 586121521.7 431622321.7 722473521.7 133000000 171000000 140000000 104000000 141000000 120000000 238000000 255000000 234000000 ribulose-5-phosphate 37515919.53 32887448.13 57566582.89 33596844 30004240.38 28875357.8 30835244.91 34350761.78 32479750.7 31082588.32 29997701.55 50911719.69 49745196.38 62662579.97 59959031.99 30340337.38 30090073.1 29888219.94 23534859.49 24574040.96 24594939.06 33319304.66 32928306.51 32942104.76 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-L-homocysteine 16565741.05 15422828.43 20828866.07 19088798.13 15436053.45 17035852.37 16004031.46 18039413.61 17136430.42 16051950.59 15911609 15210971.45 20158826.38 21930202.24 21599777.73 32785474.41 34434365.61 32540482.09 25733433.7 23939192 25662561.58 31832992.66 32879949.23 34238808.62 13805276 19655800 15351716 13504584 14489496 8598156 7793161 10138340 11311000 22700000 23100000 23200000 21300000 26500000 25300000 24500000 25600000 23300000 SD 18171549.3 12255993.22 16209965.9 6922825.31 6649815.209 6316962.901 8336368.002 9114712.825 7575099.745 6608938.239 6314731.474 6186734.471 17057833.75 18617829.13 17579946.01 44686192.01 44946019.82 40082380.56 12333380.23 14520419.77 14982918.57 48554213.53 49549596.4 43559062.77 17062592.2 26964892.2 19047632.2 9642207.2 12856712.2 8429082.2 25216222.2 21543032.2 28108912.2 12397655.56 55897655.56 12597655.56 9607616.556 3660679.556 6900681.556 64797655.56 72297655.56 69397655.56 SDL 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12524803.33 11361007.1 10911689.55 993096.9077 1379906.344 1838566.016 11990594.45 12064418.79 11745763.4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose bisphosphate 13820499 9765617.165 15495760.36 12644660.25 10781469.71 13285002.51 10843771.81 13375952.68 11431921.86 12984055.22 13233865.83 12265322.9 12786409.37 14881941.58 16612263.9 25106726.32 27014308.16 24294367.01 21278863.68 22056168.92 21990335.33 29030350.17 28647431.79 25325830.22 19314020 28250580 22675030 19570790 15847320 20535360 20726300 23053660 26959590 20794438.14 20694438.14 20094438.14 15894438.14 19194438.14 20494438.14 19994438.14 23694438.14 22794438.14 serine 35146963.75 30603345.68 38351976.95 27845185.86 22046345.85 21882439.57 28511739.05 30392280.24 25839437.57 22173666.3 24549957.54 22059470.98 32570119.36 34632378.56 32875097.46 19765686.28 18540724.52 17735683.59 12034050.68 10708086.43 11939525.81 19084948.42 18582198.21 17841961.07 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SID 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34522346.21 34772013.06 32275309.77 2838437.72 3797210.674 4829782.268 32425198.02 34399918.65 31837151.67 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-methyl-5'-thioadenosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1524015.801 1654414.981 1080799.144 1761230.381 2118714.927 1832295.218 1536954.888 1713098.415 1624833.15 3130473.777 3733627.777 3790168.777 3635008.777 3182962.777 5110883.777 6142992.777 10951124.78 5256046.777 1040167.976 1073239.976 906674.7756 1617599.976 2118102.976 2111139.976 1182555.976 1099249.976 1102303.976 sn-glycerol-3-phosphate 468834864 400589854.3 538929592.1 455201836.9 403639091 447137687.4 372905180.3 452372033.3 432321373.9 476061521.2 494486848.7 506608636.1 461938689.6 529386371.3 531004887.1 1615708116 1734568480 1657964483 1335664843 1358811878 1462147675 1332169746 1269166292 1240088949 13242506652 16151843852 14190116252 12282453313 12292862911 10580200852 7479996752 5485230552 7188163252 1399935260 1719935260 1399935260 1069935260 1369935260 1199935260 1499935260 1699935260 1499935260 succinate/Methylmalonic acid 53782936.28 50076517.36 63092457.56 357063672 358393211.1 355365799.1 196218563.2 193973683.9 177040298 154242205.7 194093221 174155366.7 256874208.4 284465806.4 301878792.4 522482411.1 506490451.9 460045101.7 489925188.3 541572175.4 632286573.1 779705707.5 856307793.7 883515077.1 1241654735 1634240735 1404536735 1775180735 1291643735 1762151735 1121233735 1574673735 1387787735 2766360000 2906360000 2736360000 3356360000 3846360000 3626360000 2656360000 3226360000 2656360000 succinyl-CoA/methylmalonyl-CoA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 639102.0038 591421.5611 647249.4238 610806.9797 581008.8001 639955.1205 862714.0056 752449.5869 977039.6698 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 taurine 1789979.048 2061853.998 2291261.185 1776985.792 1264419.672 1372274.152 1747527.749 1901117.783 1603304.291 1616845.315 1401160.35 1310002.583 1602907.13 1503641.808 1504651.286 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 thiamine 9143408.383 6806533.223 10423128.49 8489752.664 8005224.137 9539837.427 9856643.741 9893378.989 8750009.461 8272761.059 7252557.931 7369876.823 10132069.41 10070049.77 10786824.57 1930148.616 1549299.398 1876394.211 1968099.776 2234679.09 2096280.207 2221425.324 2808609.444 2437749.981 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Thiamine pyrophosphate 8997190.056 4161008.402 8811614.892 7346323.925 7131831.578 8131013.039 7560894.497 9231462.576 7819113.48 8240648.758 7389705.968 7030183.964 8051172.666 9821380.631 11154694.59 8452105.801 9432937.325 9549140.23 8147305.7 7648188.475 8294237.003 10811145.44 10597756.44 9826524.596 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 threonine/homoserine 63668802.63 53789457.09 64221086.42 45992174.85 39436023.94 38988383.89 43079048.66 45637805.02 42674662.25 34734011.26 38275516.76 35868837.41 59186139.65 61231648.8 61899183.48 41183036.39 37722745.34 35857238.23 21879500.79 23199908.49 23021246.04 40958356.26 41789547.87 39510207.58 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 thymidine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5946161.374 4802779.374 6049083.374 8033659.374 7207575.374 8544492.374 7109801.374 9043779.374 6403605.374 18749.6606 10000 34879.1906 10189.2606 10000 10000 27971.1906 20979.6906 31800.3906 thymine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4480997.64 3788701.64 4783006.64 5230997.64 4144391.64 7368840.64 3060279.64 4233416.64 3352397.64 1321120.3 1688506.3 1601160.3 1254017.3 1890598.3 1233914.3 1833117.3 1361535.3 1914273.3 trehalose-6-Phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 785412.2385 934256.5146 821317.3692 542994.808 457355.2293 521749.6674 442782.4213 422012.2508 395590.0856 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 tryptophan 43796647.92 52154656.34 53660619.2 65979501.15 60670833.3 65517568.31 58943169.5 66100533.38 38530177.88 48470287.19 56103495.74 56513222.46 64223377.96 61178727.5 54170000.55 62223363.06 51276788.45 42948108.45 43574434.72 47605872.03 49211438.36 61661015.03 60131163.55 55181029.46 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 tyrosine 169062746.1 153462606.9 215157329.9 186660508.5 166837043.5 171666218.6 164721476.4 179895828.2 152127531.6 150622924.8 163869144.4 154955341.9 191582710 226593686.9 217710642 253556167.6 229015916.5 199231895.8 201474970.1 210632721.8 210530853.4 262702168.8 278638929.9 248332336.2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UDP 16611509.71 8594574.019 9780693.598 40602523.98 41951649.89 47907885.16 44704371.64 44006456.65 44963251.82 39913594.77 41967081.58 45662141.84 54412622.94 38571718.11 48511739.71 22624328.55 24117144.98 27206180.34 34086654.6 37084240.98 54968160.66 120730809 117240191.6 160426661.8 29440706.69 42420206.69 34916806.69 91310626.69 71836766.69 117017506.7 80144546.69 131716406.7 93466486.69 123966209.7 118966209.7 131966209.7 173966209.7 193966209.7 197966209.7 153966209.7 173966209.7 164966209.7 UDP-D-glucose 93552576.02 68959977.6 90013843.5 102989789.1 94949127.57 102605468.5 99618888.92 110730121.7 97552485.12 97583220.26 96794199.29 91253067.8 99804213.38 103428484.7 111172085.9 247072066.5 266352964.2 252910592.9 245085851.3 259347460.7 253127764.6 274074194 278869089 268003837.5 314944000 395856100 357687800 412361200 338136400 368497300 342265200 391456100 412251300 523000000 541000000 536000000 485000000 562000000 556000000 508000000 588000000 526000000 UDP-D-glucuronate 4990297.009 2955400.29 4912540.948 4621556.074 4148627.065 5030904.562 4182132.174 4883255.552 4096631.245 4826710.348 4594288.571 4398007.875 4183765.557 4537132.949 5371182.451 12248777.46 14085640.29 12998659.62 13433036.05 14569206.43 14237296.91 16846471.3 17287467.83 15467454.51 24364550 32389990 29516510 35328280 27337740 35819030 29153370 33339480 32481780 62800000 65400000 58500000 58000000 81200000 65300000 71800000 70000000 71000000 UDP-N-acetyl-glucosamine 40334331.51 31848548.91 41035355.65 52337133.99 49649140.73 53362797.12 57802782.61 62051931.3 57042651.97 48466409.86 48499687.68 45230200.17 58973951.04 61407362.32 66359535.87 92797603.34 98104639.37 93170358.9 100925079 107713452 113623363.5 137239748.4 139760927.2 139775184.3 199241700 249251900 229614400 289906500 240454900 255592900 252474600 285261000 295961900 472000000 458000000 482000000 451000000 512000000 549000000 436000000 535000000 482000000 UMP 15007150.93 8637375.808 8431115.135 36054561.91 43410440.64 42928874.02 25335543.96 21075059.59 20876703.71 31409276.47 28028922.49 29274725.82 35879030.83 21937439.22 23892151.08 79958901.88 76167993.32 82233222.23 128705124.1 131423156.8 174929911.7 221250772.7 206563212.2 298892611 237007520.1 291066920.1 259353120.1 557345320.1 403759320.1 525441920.1 458677520.1 552365520.1 466772320.1 57298054.03 69898054.03 56298054.03 126998054 134998054 123998054 140998054 150998054 130998054 uridine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4982892.709 3893896.709 4703297.709 5718562.709 4330910.709 7483282.709 4070496.709 5252723.709 4125093.709 9004009.725 10498498.73 9117387.725 9895964.725 10898498.73 10098498.73 11098498.73 12498498.73 11098498.73 UTP 126841528.6 88071877.71 127791289.9 406510066 370463298.8 422081351.6 419358265.4 510556417 413637571.2 328613343.1 345751537.2 335643243.1 394074325.8 445544940.6 474279336.1 196666143.7 231588256.7 196804683.4 278319972 362983085.6 545450586.8 1054960184 1096989239 972762712.6 610483554.2 849697054.2 704731454.2 1676340154 1388842154 1750823154 1314301154 1511370154 1665971154 1004353903 1074353903 962353902.8 1294353903 1634353903 1434353903 1564353903 1674353903 1534353903 valine 156262585.8 139521055.5 193517590.9 134831902.9 118765211 112079315 123853655.4 134803844.2 113129857.8 104159286.2 115713154.3 112357135.2 188608794.1 216966328.5 198973763.1 171302528.3 148159854.1 131132815.1 108932469.5 121782339.5 123904695 180944619.7 196504448.3 179984222.2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VD 33565313 35246285.15 35975185.39 6779511.55 6327330.726 7073021.941 10616129.85 11570889.5 9558308.606 7874136.437 7015381.618 5667509.14 38393251.67 34112356.36 30523875.58 5781686.868 5768121.139 5315356.091 623135.9784 764444.7783 1027949.491 5437525.805 5288593.187 5190891.501 15542129.99 19095159.99 16013869.99 7938183.988 6198743.988 5203549.988 17362229.99 17962569.99 21979239.99 38228114.8 36928114.8 39228114.8 10328114.8 11228114.8 12128114.8 37228114.8 43628114.8 39928114.8 xanthine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8245524.834 7783016.234 9049300.834 11682784.83 8289524.834 23883506.83 6838504.834 8282586.834 7859830.834 3718375.02 3338320.02 3634059.02 4220662.02 4527937.02 8787601.02 3554319.02 2986755.02 3301924.02 xanthosine 2213087.904 851270.585 2117758.38 2091670.729 2198785.26 1895517.77 857680.5244 697507.7238 734131.4363 864384.7165 1013621.642 1011046.996 1680097.663 2430807.297 3107925.041 4902201.349 4241049.158 4145708.723 3897407.522 4332422.065 3445628.096 4000861.099 4864913.881 4803946.371 73347800 83046300 80137220 78111860 61492960 63317520 35844490 47434650 38741350 31000000 35200000 32000000 40300000 47800000 40000000 46400000 46100000 45500000 xanthosine-5-phosphate 1282241.475 1147245.116 1466368.014 2712288.799 2364744.958 2876023.737 2463381.092 3502635.397 3593482.506 2082155.454 2196219.267 2131136.484 3836029.235 4400421.287 4208115.289 3022149.378 4227607.953 3812732.087 3332361.58 4130135.442 4681870.186 9707612.751 9482739.227 9194021.019 9628598 14024168 12022142 21955320 22810900 23807740 23550880 31422680 30300220 13700000 13000000 13600000 14000000 14600000 16300000 13700000 16600000 14200000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z rtimes formula 2_3-Diphosphoglyceric acid 264.952 14.68 C3H8O10P2 2-dehydro-D-gluconate 193.0354 5 C6H10O7 2-Hydroxy-2-methylbutanedioic acid 147.03385 12.06 C5H8O5 3-phosphoglycerate 184.9857 13.58 C3H7O7P 3-phospho-serine 184.0017 8.2 C3H8NO6P 4-aminobutyrate 102.0561 4 C4H9NO2 4-phosphopantetheine 357.089 13.3 C11H23N2O7PS 4-phosphopantothenate 300.08429 13.94 C9H18NO8P 4-Pyridoxic acid 182.0459 14.14 C8H9NO4 5-phosphoribosyl-1-pyrophosphate 388.9446 15.13 C5H13O14P3 6-phospho-D-gluconate 275.0174 13.38 C6H13O10P acetyl-aspartate 174.0408 13 C6H9NO5 acetyl-CoA 808.1184 15.46 C23H38N7O17P3S Acetyllysine 187.1088 1.1 C8H16N2O3 aconitate 173.0092 7.32 C6H6O6 ADP-D-glucose 588.075 13.72 C16H25N5O15P2 a-ketoglutarate 145.0143 13.13 C5H6O5 alanine/sarcosine 88.0404 1 C3H7NO2 arginine 173.1044 0.87 C6H14N4O2 asparagine 131.0462 1.15 C4H8N2O3 aspartate 132.0302 4.28 C4H7NO4 CDP 402.0109 13.53 C9H15N3O11P2 CDP-choline 487.1 6.53 C14H26N4O11P2 CDP-ethanolamine 445.0531 6.38 C11H20N4O11P2 citrate/isocitrate 191.0197 13.13 C6H8O7 CMP 322.0446 8.61 C9H14N3O8P coenzyme A 766.108 15.93 C21H36N7O16P3S CTP 481.9772 14.75 C9H16N3O14P3 cyclic-AMP 328.0452 12.97 C10H12N5O6P cytidine 242.0782 1.2 C9H13N3O5 dAMP 330.0609 12 C10H14N5O6P dATP 489.9936 14.82 C10H16N5O12P3 dCDP 386.016 13.58 C9H15N3O10P2 dCMP 306.0497 9.8 C9H14N3O7P dCTP 465.9823 14.8 C9H16N3O13P3 dGDP/ADP 426.0222 14 C10H15N5O10P2 D-gluconate 195.051 5 C6H12O7 dGMP/AMP 346.0558 11 C10H14N5O7P dGTP/ATP 505.9885 14.77 C10H16N5O13P3 dihydroorotate 157.0255 5.88 C5H6N2O4 dihydroxy-acetone-phosphate 168.9908 9 C3H7O6P DLH 382.1732 3.73 C16H25N5O6 DL-Pipecolic Acid 128.0717 1.2 C6H11NO2 DLS 332.1463 11.46 C13H23N3O7 D-sedoheptulose-1/7-phosphate 289.033 7.29 C7H15O10P dTDP 401.0157 14.41 C10H16N2O11P2 dTMP 321.0493 11.27 C10H15N2O8P dTTP 480.982 14.75 C10H17N2O14P3 dUTP 466.9663 14.81 C9H15N2O14P3 FAD 784.1499 15 C27H33N9O15P2 FMN 455.0973 14.54 C17H21N4O9P folate 440.1324 13.99 C19H19N7O6 fructose-1-6-bisphosphate 338.9888 15.05 C6H14O12P2 fructose-6-phosphate 259.0225 7.98 C6H13O9P fumarate 115.0037 13.49 C4H4O4 GDP 442.017 13.9 C10H15N5O11P2 glucono-lactone 177.0405 6.9 C6H10O6 glutamate 146.0459 3.26 C5H9NO4 glutamine 145.0619 1.17 C5H10N2O3 glutathione disulfide 611.1447 12.94 C20H32N6O12S2 glycerate 105.0193 6.35 C3H6O4 GMP 362.0507 11.04 C10H14N5O8P GTP 521.9834 14.95 C10H16N5O14P3 guanine 150.0421 3.4 C5H5N5O guanosine 282.0844 4 C10H13N5O5 histidine 154.0622 0.87 C6H9N3O2 HVDD 484.1923 9.83 C19H29N6O9 hydroxyproline/Aminolevulinate 130.051 1.15 C5H9NO3 hypoxanthine 135.0312 1.18 C5H4N4O IMP 347.0398 11.58 C10H13N4O8P inosine 267.0735 3.5 C10H12N4O5 isoleucine 130.0874 2.22 C6H13NO2 Isopentyl-PP 317.0925 15.06 C10H24O7P2 lactate 89.0244 7.28 C3H6O3 L-arginino-succinate 289.1154 3.25 C10H18N4O6 LD 245.1143 8.65 C10H18N2O5 leucine 130.0874 2.6 C6H13NO2 lysine 145.0983 0.85 C6H14N2O2 malate 133.0142 13.68 C4H6O5 maleic acid 115.0037 12.71 C4H4O4 methionine 148.0438 1.77 C5H11NO2S myo-inositol 179.0561 7.2 C6H12O6 Myristoyl/tetradecanoyl-CoA 976.3063 21.8 C35H62N7O17P3S N-acetyl-glucosamine-1/6-phosphate 300.049 7.3 C8H16NO9P N-acetyl-glutamate 188.0564 13.37 C7H11NO5 N-acetyl-glutamine 187.0724 6.26 C7H12N2O4 N-Acetyl-L-alanine 130.051 8.41 C5H9NO3 N-acetyl-L-ornithine 173.0932 1.21 C7H14N2O3 NAD+ 662.1019 9.16 C21H27N7O14P2 NADH 664.1175 14.14 C21H29N7O14P2 NADP+ 742.0682 13.87 C21H28N7O17P3 NADPH 744.0838 14.87 C21H30N7O17P3 N-carbamoyl-L-aspartate 175.036 12.25 C5H8N2O5 nicotinamide mononucleotide 333.0493 1.71 C11H15N2O8P nicotinate 122.0248 11.2 C6H5NO2 Octulose 8/1P 319.0436 6 C8H17O11P Octulose Bisphosphate 399.0099 13.64 C8H18O14P2 orotate 155.0098 8.66 C5H4N2O4 orotidine-5'-phosphate 367.0184 13.58 C10H13N2O11P pantothenate 218.1034 10.69 C9H17NO5 PD 229.083 4.68 C9H14N2O5 PE 243.0986 4.55 C10H16N2O5 PEE 372.1412 10.5 C15H23N3O8 PEEK 500.2362 3.38 C21H35N5O9 phenylalanine 164.0717 4.37 C9H11NO2 phosphoenolpyruvate 166.9751 13.83 C3H5O6P proline 114.0561 1.27 C5H9NO2 PVNF 474.2358 11.64 C23H33N5O6 pyridoxine 168.0666 1.8 C8H11NO3 Pyroglutamic acid 128.0353 7.69 C5H7NO3 pyruvate 87.0088 8.82 C3H4O3 Ribose-5-phosphate 229.0119 6.94 C5H11O8P ribose-phosphate 229.0119 6 C5H11O8P ribulose-5-phosphate 229.0119 7.81 C5H11O8P S-adenosyl-L-homocysteine 383.1143 6.86 C14H20N6O5S SD 219.0623 4.08 C7H12N2O6 SDL 332.1463 11.22 C13H23N3O7 Sedoheptulose bisphosphate 368.9994 13.64 C7H16O13P2 serine 104.0353 1.14 C3H7NO3 SID 332.1463 10.96 C13H23N3O7 S-methyl-5'-thioadenosine 296.0823 11.6 C11H15N5O3S sn-glycerol-3-phosphate 171.0064 7.3 C3H9O6P succinate/Methylmalonic acid 117.0193 11.72 C4H6O4 succinyl-CoA/methylmalonyl-CoA 866.124 16.93 C25H40N7O19P3S taurine 124.0074 0.82 C2H7NO3S thiamine 263.0972 0.94 C12H16N4OS Thiamine pyrophosphate 423.0299 9.56 C12H18N4O7P2S threonine/homoserine 118.051 1 C4H9NO3 trehalose-6-Phosphate 421.0753 6.95 C12H23O14P tryptophan 203.0826 7.5 C11H12N2O2 tyrosine 180.0666 2 C9H11NO3 UDP 402.9949 13.81 C9H14N2O12P2 UDP-D-glucose 565.0478 13.44 C15H24N2O17P2 UDP-D-glucuronate 579.027 14.68 C15H22N2O18P2 UDP-N-acetyl-glucosamine 606.0743 13.37 C17H27N3O17P2 UMP 323.0286 10.32 C9H13N2O9P UTP 482.9613 14.81 C9H15N2O15P3 valine 116.0717 1.45 C5H11NO2 VD 231.0986 6.33 C9H16N2O5 xanthosine 283.0684 7.77 C10H12N4O6 xanthosine-5-phosphate 363.0347 12.7 C10H13N4O9P thymidine 243.0975 5.4 C10H14N2O5 thymine 127.0502 2.6 C5H6N2O2 uridine 245.0768 1.7 C9H12N2O6 xanthine 153.0407 2.69 C5H4N4O2 Pyrophosphate 178.9505 13.87 P2H4O7 p-hydroxybenzoate 139.039 10.88 C7H6O3 phenylpyruvate 165.0546 15.1 C9H8O3 ornithine 133.0972 1 C5H12N2O2 indole 118.0651 7.5 C8H7N glucose-1/6-phosphate 261.037 7.98 C6H13O9P dUMP 309.0482 10.28 C9H13N2O8P deoxyinosine 253.0931 3.9 C10H12N4O4 deoxyribose-phosphate 215.0315 7.74 C5H11O7P carnitine 162.1125 1 C7H15NO3 2-oxo-4-methylthiobutanoate 149.0267 13.75 C5H8O3S METABOLITES_END #END