#METABOLOMICS WORKBENCH jsfavate_20221201_115927 DATATRACK_ID:3618 STUDY_ID:ST002431 ANALYSIS_ID:AN003957 PROJECT_ID:PR001564 VERSION 1 CREATED_ON January 5, 2023, 5:29 pm #PROJECT PR:PROJECT_TITLE Linking genetic and phenotypic changes in the long term evolution experiment PR:PROJECT_TITLE using metabolomics PR:PROJECT_TYPE MS PR:PROJECT_SUMMARY The metabolome of a cell is the integration point of an organism's environment, PR:PROJECT_SUMMARY genetics, and gene expression pattern. The metabolic phenotype can be under PR:PROJECT_SUMMARY selection and is known to contribute to adaption. However, the metabolome's PR:PROJECT_SUMMARY inherent networked and convoluted nature makes relating mutations, metabolic PR:PROJECT_SUMMARY changes, and effects on fitness challenging. To overcome this challenge, we use PR:PROJECT_SUMMARY the Long Term Evolution Experiment (LTEE) as a model to understand how mutations PR:PROJECT_SUMMARY can transduce themselves through a cellular network, eventually affecting PR:PROJECT_SUMMARY metabolism and perhaps fitness. We used mass-spectropscopy to broadly survey the PR:PROJECT_SUMMARY metabolomes of both ancestors and all 12 evolved lines and combined this with PR:PROJECT_SUMMARY genomic and expression data to suggest how mutations that alter specific PR:PROJECT_SUMMARY reaction pathways, such as the biosynthesis of nicotinamide adenine PR:PROJECT_SUMMARY dinucleotide, might increase fitness in the system. Our work brings the field PR:PROJECT_SUMMARY closer to a complete genotype-phenotype map for the LTEE and a better PR:PROJECT_SUMMARY understanding of how mutations might affect fitness through the metabolome. PR:INSTITUTE Rutgers University PR:DEPARTMENT Genetics PR:LABORATORY Shah PR:LAST_NAME Favate PR:FIRST_NAME John PR:ADDRESS 145 Bevier Road, Piscataway, NJ, 08854 PR:EMAIL john.favate@rutgers.edu PR:PHONE 7325984642 #STUDY ST:STUDY_TITLE MS profiling of the Long Term Evolution Experiment ST:STUDY_SUMMARY The metabolome of a cell is the integration point of an organism's environment, ST:STUDY_SUMMARY genetics, and gene expression pattern. The metabolic phenotype can be under ST:STUDY_SUMMARY selection and is known to contribute to adaption. However, the metabolome's ST:STUDY_SUMMARY inherent networked and convoluted nature makes relating mutations, metabolic ST:STUDY_SUMMARY changes, and effects on fitness challenging. To overcome this challenge, we use ST:STUDY_SUMMARY the Long Term Evolution Experiment (LTEE) as a model to understand how mutations ST:STUDY_SUMMARY can transduce themselves through a cellular network, eventually affecting ST:STUDY_SUMMARY metabolism and perhaps fitness. We used mass-spectropscopy to broadly survey the ST:STUDY_SUMMARY metabolomes of both ancestors and all 12 evolved lines and combined this with ST:STUDY_SUMMARY genomic and expression data to suggest how mutations that alter specific ST:STUDY_SUMMARY reaction pathways, such as the biosynthesis of nicotinamide adenine ST:STUDY_SUMMARY dinucleotide, might increase fitness in the system. Our work brings the field ST:STUDY_SUMMARY closer to a complete genotype-phenotype map for the LTEE and a better ST:STUDY_SUMMARY understanding of how mutations might affect fitness through the metabolome. We ST:STUDY_SUMMARY used mass-spectroscopy to profile metabolic changes in the Long Term Evolution ST:STUDY_SUMMARY Experiment and link these change to upstream changes in gene expression and ST:STUDY_SUMMARY mutations. ST:INSTITUTE Rutgers University ST:DEPARTMENT Genetics ST:LABORATORY Shah ST:LAST_NAME Favate ST:FIRST_NAME John ST:ADDRESS 145 Bevier Road, Piscataway, NJ, 08854 ST:EMAIL john.favate@rutgers.edu ST:PHONE 7325894642 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Escherichia coli SU:TAXONOMY_ID 562 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - am1_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=am1_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - am1_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=am1_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - am2_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=am2_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - am2_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=am2_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - am3_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=am3_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - am3_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=am3_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - am4_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=am4_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - am4_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=am4_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - am5_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=am5_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - am5_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=am5_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - am6_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=am6_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - am6_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=am6_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap1_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap1_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap1_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap1_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap2_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap2_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap2_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap2_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap3_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap3_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap3_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap3_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap4_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap4_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap4_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap4_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap5_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap5_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap5_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap5_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap6_e_r1 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap6_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap6_e_r2 age:evolved | growth_phase:exponential RAW_FILE_NAME=ap6_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - rel606_e_r1 age:ancestral | growth_phase:exponential RAW_FILE_NAME=rel606_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - rel606_e_r2 age:ancestral | growth_phase:exponential RAW_FILE_NAME=rel606_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - rel607_e_r1 age:ancestral | growth_phase:exponential RAW_FILE_NAME=rel607_e_r1.mzXML SUBJECT_SAMPLE_FACTORS - rel607_e_r2 age:ancestral | growth_phase:exponential RAW_FILE_NAME=rel607_e_r2.mzXML SUBJECT_SAMPLE_FACTORS - am1_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=am1_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - am1_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=am1_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - am2_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=am2_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - am2_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=am2_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - am3_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=am3_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - am3_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=am3_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - am4_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=am4_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - am4_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=am4_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - am5_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=am5_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - am5_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=am5_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - am6_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=am6_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - am6_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=am6_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap1_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap1_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap1_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap1_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap2_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap2_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap2_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap2_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap3_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap3_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap3_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap3_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap4_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap4_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap4_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap4_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap5_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap5_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap5_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap5_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - ap6_s_r1 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap6_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - ap6_s_r2 age:evolved | growth_phase:stationary RAW_FILE_NAME=ap6_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - rel606_s_r1 age:ancestral | growth_phase:stationary RAW_FILE_NAME=rel606_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - rel606_s_r2 age:ancestral | growth_phase:stationary RAW_FILE_NAME=rel606_s_r2.mzXML SUBJECT_SAMPLE_FACTORS - rel607_s_r1 age:ancestral | growth_phase:stationary RAW_FILE_NAME=rel607_s_r1.mzXML SUBJECT_SAMPLE_FACTORS - rel607_s_r2 age:ancestral | growth_phase:stationary RAW_FILE_NAME=rel607_s_r2.mzXML #COLLECTION CO:COLLECTION_SUMMARY Bacterial cells were grown in DM25 medium and collected via vacuum filtration at CO:COLLECTION_SUMMARY 2hr and 24hr timepoints. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY No treatment was applied to the samples. The samples consist of the ancestral TR:TREATMENT_SUMMARY strains of the LTEE, REL606 and REL607, and clones from each of the evolved TR:TREATMENT_SUMMARY lines, designated Ara-1:6 and Ara+1:6 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the 40:40:20 acetonitrile:methanol:water protocol. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) CH:SOLVENT_A 95% water/5% acetonitrile; 20 mM acetic acid; 40 mM ammonium hydroxide, pH 9.4 CH:SOLVENT_B 20% water/80% acetonitrile; 20 mM acetic acid; 40 mM ammonium hydroxide, pH 9.4 CH:FLOW_GRADIENT 0 min, 100% B; 3 min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B; CH:FLOW_GRADIENT 10.5 min, 80% B; 10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45% CH:FLOW_GRADIENT B; 16.5 min, 100% B; and 22 min, 100% B CH:FLOW_RATE 0.3mL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS EL-MAVEN #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples am1_e_r1 am1_e_r2 am1_s_r1 am1_s_r2 am2_e_r1 am2_e_r2 am2_s_r1 am2_s_r2 am3_e_r1 am3_e_r2 am3_s_r1 am3_s_r2 am4_e_r1 am4_e_r2 am4_s_r1 am4_s_r2 am5_e_r1 am5_e_r2 am5_s_r1 am5_s_r2 am6_e_r1 am6_e_r2 am6_s_r1 am6_s_r2 ap1_e_r1 ap1_e_r2 ap1_s_r1 ap1_s_r2 ap2_e_r1 ap2_e_r2 ap2_s_r1 ap2_s_r2 ap3_e_r1 ap3_e_r2 ap3_s_r1 ap3_s_r2 ap4_e_r1 ap4_e_r2 ap4_s_r1 ap4_s_r2 ap5_e_r1 ap5_e_r2 ap5_s_r1 ap5_s_r2 ap6_e_r1 ap6_e_r2 ap6_s_r1 ap6_s_r2 rel606_e_r1 rel606_e_r2 rel606_s_r1 rel606_s_r2 rel607_e_r1 rel607_e_r2 rel607_s_r1 rel607_s_r2 Factors age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:evolved | growth_phase:exponential age:evolved | growth_phase:exponential age:evolved | growth_phase:stationary age:evolved | growth_phase:stationary age:ancestral | growth_phase:exponential age:ancestral | growth_phase:exponential age:ancestral | growth_phase:stationary age:ancestral | growth_phase:stationary age:ancestral | growth_phase:exponential age:ancestral | growth_phase:exponential age:ancestral | growth_phase:stationary age:ancestral | growth_phase:stationary GTP 30847.0202799322 112333.429283943 4615.76670122426 10868.1650743756 15902.752642831 91013.1279637742 19170.1110576625 24885.3028921816 79718.5151839388 45594.700432109 2258.06921781115 6159.0963622255 9615.94693830579 25376.5619473262 13403.6812371491 10201.095581722 20009.0302734241 173865.852842444 10226.2947928166 3005.74824573968 10015.2026586782 17074.2680595342 19803.2538464661 84725.2246130973 102188.207913305 37505.1701098274 1959.37671563471 4050.43509497249 20956.2347088955 62244.8068628034 15094.1959039118 36830.5319721122 37637.8178557496 70696.7322932512 17522.8828034053 16518.4648894872 48602.7656877987 37744.3526386065 9123.11403341721 119456.245586412 26946.8937417313 77769.668561599 4267.20996765211 6906.15753241618 55433.6873882455 61162.8579373391 14660.9468277236 19679.8886519129 9367.16858745054 39568.9319856921 1280.36936913772 2149.77883893081 16552.1428269553 17470.6761250222 4152.07727407172 3118.52897457064 CTP 32184.3352183684 106454.065333757 1016.08985825918 5560.74806262141 24730.7895348961 119216.682021456 52247.1322266573 88974.1259775036 97686.8322077253 68705.9279159454 4039.19983517469 1975.71020425494 12199.3243190882 31199.8879468354 15451.0060759602 40148.5300297143 20927.6786356854 123814.401604613 3823.05006003957 3231.48397724262 7784.36549689546 13957.9748695959 23242.2327614108 70196.8006459407 125620.712216999 68185.3810670759 2251.39615092005 3618.93752269396 29692.3000072461 60596.3358773421 20202.2479842536 24344.1736157641 61502.1415535043 86612.61613877 14064.396654206 27460.1247663286 48589.7657923959 45833.7569381926 2575.76342205675 10451.8484943056 40029.128068168 116514.692722953 0 1395.25627330207 89111.4963427894 96239.6190704777 31913.415393589 52610.5999755591 18160.1370172754 60002.8283008176 0 1016.2404988628 26595.407824806 29974.8837535421 0 3019.16410262316 UTP 26282.9301264866 59679.2122128142 4068.81942157955 9098.23679268975 13333.8785171653 51601.0551292047 48689.416956812 54452.6869055153 121472.882860523 119496.243590529 2454.11868694363 10554.2574386518 4513.96727016819 12458.4245741805 4347.63640292931 9659.10596417215 25581.3043718624 88008.2598182938 6959.59994742013 1650.73447123431 7060.59432429617 6521.55354769555 13507.271061836 28752.0885015863 89780.7157105954 45443.3865987965 1214.44012206483 4091.68604554018 24146.5452335225 49641.3309919521 22250.7064437764 19779.0720265889 66293.9398755276 74718.9852435811 11792.0193311164 11260.5579592274 33580.4321925322 32096.2062336411 1699.39874608213 11629.8262631609 25715.2081971424 67455.9465011064 1994.56080609917 1260.19713992339 57868.04883672 56535.2024941967 4574.61243588855 8976.24805847137 8536.40993688071 24887.759605536 1427.31834766403 1478.11795202958 15945.5414050288 13560.942655957 1602.99228045362 3289.97929013622 Fructose-1 6-bisphosphate 97839.0353584135 195224.761638059 863.606466186387 2457.973644485 59364.5300119445 85495.8326664925 1005.65435601284 6690.46124090586 93651.4384895162 107994.776091744 1558.05959810203 3451.44900173076 24523.3429515694 34123.9407934353 51018.2034974122 5965.21630361469 81170.0791896831 316599.906649398 650.389443502335 3667.63979913042 45759.3997096387 27957.0636855471 2160.65465010759 9194.2406828615 88965.2599112068 20320.9992489056 2268.49898295737 14812.2192183682 46373.8251745994 130991.404857303 4094.33881230116 2441.4084428899 121817.319917505 157752.078209149 4084.85084000234 3155.49046149548 126733.91680585 69590.7112074611 7865.49289150056 39818.0889667834 63634.7668653254 115558.554025575 6264.7950920145 2939.16588307385 146626.378774745 162709.735008501 2175.79448547485 1261.70721185828 42902.8846106935 69275.8879368174 7436.3771752899 6080.88838669089 27543.3870378545 43977.2160754711 1563.67886122281 782.732381290224 Thiamine pyrophosphate 340162.488363149 447742.672623184 1420929.14173654 1724327.26459976 84335.8742260932 443115.697121783 586071.393825834 356627.26058861 2658841.84946327 2495562.34270143 18265665.3376261 18629856.5417649 46789.4575922602 67195.0532488851 107799.922093441 483888.738366086 327271.022819883 446633.816117357 1169951.13287147 1068481.56784208 49225.6032970727 28882.0075253795 881032.067225715 973616.750512535 1697888.35160193 1160044.68419264 2250809.66878776 7110583.04128655 192229.942233553 397354.647752642 648611.959148137 1230536.16781259 1945238.18329739 1593366.87653306 2610005.78266704 2310777.19134169 399916.513088712 191454.206003748 906507.605207599 1133623.04742002 275762.480073732 290832.851942943 1764017.82679606 853412.987224514 695344.72457999 490438.621971118 801077.440092537 953743.215599587 136738.128473426 155719.63277532 846976.291158985 1352635.70605606 291724.334096651 133793.015373084 1111214.35977176 463903.982456957 ATP 317103.097874971 779814.469154013 111917.602443455 194823.83300986 199598.839710597 1104025.94404014 745533.369374734 837330.730082733 1214316.17846211 1202866.05866328 222049.717681544 490772.345863294 116649.087185533 276655.903162526 137274.555576745 423865.284574381 384991.0982473 1231583.39089667 258959.603781484 185414.685066294 100285.593378088 104271.115556646 540022.672242602 985440.845718351 1600444.07674061 1005995.45545612 79497.1514680601 138513.833980698 277591.582518304 556471.351770165 562243.263055488 753717.144839543 669559.648790069 633455.870951635 703021.857340107 1289755.18123018 542645.846830233 444824.565182361 137977.67145424 956381.517906485 418036.928351072 871317.73872755 121996.611185882 91700.1081631522 775267.06117837 716502.218864368 569067.645934021 1008746.41485806 181758.590552622 497204.699824463 54136.1128979954 99652.5378133911 378026.545668765 238207.495477111 91557.1128969646 71269.654988363 Glutathione disulfide 1962880.75515881 2721233.85182774 525215.081417986 460708.765512824 1311940.36827727 5225001.06538877 11068324.4786168 4341929.68244964 7889261.12278351 7400787.51189825 219655.677404777 275381.750717876 234749.154532201 593541.76150972 566338.596276612 825691.262117709 918109.035475084 2310766.67761701 237452.745529159 125205.410870737 337032.809965375 168331.472093008 286140.16234964 826677.662110564 6916101.43944568 1634377.25788974 26182.0819750449 17273.868592099 2413784.75878317 4206885.89166607 235794.338257774 170164.754624544 6388793.20112075 6196555.47461355 34008.1787970303 414623.359910748 5986548.55837393 3288860.4033598 823363.618040908 3305755.97875316 3557049.62325539 3625449.6702141 246873.862605984 101323.908959589 3808811.63489199 3445224.42664224 1547235.687914 1997311.68038339 506942.91717434 478660.090360674 512186.20879024 640141.211067897 662752.709333803 479521.371076624 1012378.03900412 289357.959922205 Lysine 2418484.90959556 1657340.56581395 28445822.9982678 28071352.4715545 2051822.2933347 11397612.1991834 26027526.7418517 13627697.3408909 13072409.5632081 10825319.848963 368173732.862875 546126686.582605 1089403.25579378 1049502.94032547 1087573.09420788 6315047.01629071 3071706.68971255 1348647.29599473 98538561.404054 84149578.6593387 153108.415476329 131798.057190717 11747411.7243996 18584584.878032 4896357.53847326 17926202.1235789 67831579.8846658 52952751.1904077 1356113.03745138 1670256.04671758 19252397.1340696 108711885.051138 2808405.78872037 1939080.7895166 130833450.024003 144551269.958804 2776182.0444313 1395848.88828287 72467209.7627868 43487934.9211314 4864421.15822466 2388955.182945 87490448.0492437 48383263.6795681 3235028.08499161 1796935.21759408 42883527.1926829 34916704.3986342 2063296.90764799 1322500.7959356 27675764.7862615 44375283.2967926 4390713.69310731 1280424.2342768 41550658.3725422 17000256.2427726 NADP+ 611003.534642485 580849.375329117 4417021.97754067 5291746.38367631 164225.659811703 533986.034419971 842706.087827616 475046.75326987 1402738.3708118 1359796.96634456 2997146.08926904 5122706.81063249 98804.1662821997 138618.684310085 230390.457660847 1340281.73440253 380281.070837019 906287.065313318 1681991.34910305 1807336.00706169 208066.094341606 98531.3867320938 1926116.2783553 2805667.15484702 1454961.11169444 755773.265113137 2265966.33361387 4130607.54362165 369848.717963778 490836.389573846 973620.315918704 2047290.09556465 1576706.41036696 1062897.41885814 3719850.6016426 3393899.7287042 560904.43206437 378623.962044893 1372488.04674997 1583125.81001565 462644.461600849 488153.83603115 2867545.16525548 1518359.86140857 577951.586145525 569211.453903271 974776.321794934 1134194.69238544 159202.391216215 119476.554953851 705353.913829857 1015428.00585445 253720.447255059 158913.692653328 1004187.17895772 413831.013830659 Pyridoxamine 5-phosphate 47723.2505815969 28470.3197308116 122260.677494995 76411.1375043187 12081.0224870709 52816.8286375622 111669.721573179 56508.1109019678 182346.069445342 181467.707768805 648674.168244126 708481.850694763 7235.59776760521 7309.55892073832 46967.9561408458 94824.9918425342 42781.3199717727 40017.8673413123 102025.941734712 81133.3921600613 10327.0559955846 7555.6847534504 90590.7538228551 176954.058251475 96001.7197909994 46805.2949659416 54133.3635299228 91042.6541922881 14917.8191012416 44108.2505314149 71858.305676527 118415.378704571 87684.8878840737 69338.0531789791 91796.9902478887 163120.133974284 32235.0289964928 14812.1749549585 154714.698762905 311520.343236397 26462.2531170811 27543.175541833 111070.963610454 124721.636919959 28679.6048987681 27725.7455890349 87901.313427419 155086.018371722 21706.5654354716 14484.5325269137 117707.160883461 95489.08377377 21542.9358624076 14597.0752364069 127482.475229271 14763.6087821699 Trehalose-6-phosphate 2029.6835382958 1937.63353617711 0 0 5407.33655963321 10515.1409695807 16405.0607478615 16349.8118508411 82261.7113014203 63711.5321465242 0 0 0 0 3116.64481336277 0 0 0 0 0 931.997281663192 0 0 0 2255.99533931487 0 883.139792059625 0 0 0 0 0 0 0 0 0 0 862.413993193827 0 0 0 0 0 0 0 0 873.903787468278 1220.05037955129 0 881.454405529188 0 0 0 0 0 0 5-Hydroxylysine 0 0 16401.1940115034 19205.0259721148 0 0 60037.881523315 25873.8393192952 8353.09132551709 4146.98509298266 71837.2736858526 88528.0769641139 0 0 0 30552.2415730089 0 0 146344.118317203 90760.7487013769 0 0 37292.3398251413 30484.984316683 0 0 40343.5844524435 32461.003000212 0 0 13926.0760914758 43957.3278560463 3370.32074552421 0 49760.7630011809 51738.9316448729 0 0 67990.3210173068 87242.6099146482 0 0 67797.4713738401 48254.5106115735 0 0 55083.1110063775 62705.6194470754 0 0 32580.1727684215 36837.9218111366 0 0 42523.0997486691 22970.0631597754 Arginine 1556556.97035015 1042528.16353713 6170505.84963385 5878191.36331389 187654.579312876 1185355.36698078 1874129.90363958 904894.376538699 4193724.2495818 3792493.79685816 106968206.835681 113048107.866272 336219.360971314 303944.068075445 1702974.18855256 9588208.23025269 1316807.10587294 2066962.67972653 22613224.5340909 15761011.3736055 189569.969207664 166413.421028905 1642755.8853664 6023278.04230244 3446829.12390681 1309850.24825066 2223913.18105868 8136042.16899701 1194627.43129456 959634.459205041 2333796.14787946 20884333.4509349 3664059.286254 3295916.49472569 27035852.2764586 53643116.6197904 883021.81583448 710976.761113196 3399930.71808548 1313794.25249491 1297176.0037905 1121196.10877327 15646973.8227795 5018903.88830731 1376867.68548656 1049050.47483023 6379772.92725776 3563446.81128518 469350.829137016 337274.313279448 1720546.35010539 3989900.02794309 804274.115774888 347570.356550043 2710618.9603557 1365142.48845088 Ornithine 144510.848991725 144855.700829565 88843.470006338 86230.4247255479 42619.0947235954 123257.820831959 73063.2863889049 81484.5240869962 370383.965560966 296962.721211747 103008.095459688 154377.687536747 203853.046063444 47942.9557375613 153450.719262112 74191.146676766 221636.25424589 501916.127049377 90223.0988457147 84476.3707840649 47650.7348611312 53318.0260633241 97052.0900441182 70200.14474294 246730.893277381 69849.2033808164 181109.635370611 122780.407169197 221054.681600043 75083.4327392008 55371.024704883 151280.330201447 470324.749287127 178022.722658969 119454.952569064 132602.750923537 167013.508059859 58573.1949240525 79332.8962202294 139766.666537462 109294.451526741 90159.3960154281 90131.0078186682 82251.9435030924 124939.821765404 41636.5488156051 105179.367743198 107042.512783741 104266.250176332 66115.3831039974 75770.3124068721 77679.708896044 186890.279287222 54923.3529941411 99251.5068148483 47095.2496420747 NADPH 108029.237699694 143723.919563984 63106.6842290685 111626.033381453 20134.2799049269 184629.74095818 79199.5323530067 91335.4864860664 160149.853028009 323139.998424898 25130.5753014984 47644.8698012184 11324.2281649986 27890.8631092865 47106.0826073168 50521.4119870816 98798.9100536364 122077.663248331 15742.959390541 50388.3519259281 21056.5660809438 12824.7473576914 64934.3062694478 75629.967022851 205133.907751738 356268.349477277 17301.9082076802 40141.8595065733 18105.039154954 63836.226511468 73901.5146358037 101684.959680504 130669.240333349 173603.696504235 62957.9778043034 127898.041343766 56942.5854903052 75888.6284976081 27683.0649280519 32186.2968260085 68174.2340495494 126548.905403784 21878.3994577146 29503.5207385579 41130.3642921416 72066.7371776132 24576.9465388376 72782.3860365372 14506.9597948975 19861.8005986353 4846.36905112439 19340.6956387232 35194.1740027559 14038.8341745568 15125.9516119761 7351.66329723475 Glucose-6-phosphate 478657.638428956 535765.191335015 1114.01674183225 2941.86116635479 538128.538717515 2195356.33740815 91292.6232530067 258892.42064399 1309731.88391549 1683251.72089359 8930.76751040553 25144.672040368 100962.417587815 171770.681056329 313740.511730447 55775.8293661303 801827.817004531 1443387.77553657 5667.44099175277 5285.76591062438 109641.074990966 101587.553399463 4623.6152529034 16346.4798810829 802524.260594351 869774.555540981 1140.49669319267 7269.27217330308 415222.14196096 997574.31754191 3705.78250733251 6363.1015737751 528406.873676607 995310.228950301 3480.82637551691 3643.39959661338 469272.528462368 439543.208299721 941.534438967641 5957.79075430063 534174.718472293 816365.37211073 2075.38112938347 5469.19946884907 402762.041158681 570646.638718245 13187.221504999 19997.01344657 198131.705445627 238484.653911863 5668.25704721437 4010.87443910597 278570.942105802 240625.966998901 2016.17549065723 2302.3302619247 Phosphocholine 36413.0905610702 30518.4933124197 45468.3054678119 55454.5475149168 27124.9576734244 94682.2619882427 23529.6381198454 27150.0960572492 86134.3834865536 45612.0361150527 48730.0262241928 127256.189159952 79653.7532094191 22679.279061493 47191.8696159586 48061.1706283211 53070.7163884887 52679.9042177575 27149.6284061121 15205.2378896908 12893.2873647547 23623.7257115942 38847.2414614564 48105.5542616847 45778.2902165887 52908.7259586958 85662.9111247208 66181.82677198 37283.2919763277 76495.7576724989 19536.8929094425 32735.1612636001 42102.9751725431 87077.0069756524 65211.0539339945 65862.0560047974 41411.8976196535 23528.8522041478 16261.2652902265 39632.982885692 39605.8455386127 26170.6939157062 34011.1280599523 36540.3712946412 36472.185247072 27478.51342861 30229.923336396 44262.7145713186 54112.64633406 13836.1661634403 64646.594658509 29440.6964456574 33158.6739024652 23350.8702497017 30558.4508492727 11650.6961604906 ADP 2582560.9144579 3110272.08321459 4470110.70782894 6483738.06993633 1644921.58875649 5452545.8733205 2820738.45823875 2429133.12393858 7118708.58503806 7819302.76877274 10943218.4503535 17260170.3910786 879825.925410565 1464010.5624745 1352814.27688634 5093963.23553114 2507102.97303022 6539622.0919887 5308499.73421437 5349007.78911394 929708.666673658 504382.670145783 5204096.61650528 7604436.81765768 5916635.96779372 3160475.36420351 3370852.23894415 6633568.44469881 2775460.99569012 4112362.45109104 6012192.4194975505 10170603.1057637 6301425.39144623 5837687.70840786 11340865.8438618 10185833.8398825 3760233.9316363 2198410.04561306 3971788.9594001 6997062.63021619 3164960.6230553 3378937.54072421 6683353.8661943 3441277.26841346 5574868.89627268 4964940.53759248 5183326.55819987 8052032.23751627 1735983.85083453 1426894.40739824 2857314.4136019 3805134.54664991 2222203.0186944 1644368.8473489599 3937647.50439127 2190801.97428682 L-arginino-succinate 867171.921758367 1362629.01484366 14990.4474013029 15649.7604172077 23312.499013514 206015.855606237 9467.38180760006 23054.1256049313 2831175.43200508 3190803.62961099 120745.180663364 102211.198883931 130948.07613229 141112.203451358 123370.30219931 31861.0370683302 337054.023226014 825347.776795383 25437.5850497061 14885.7922629121 33490.3640925435 23937.5231839953 5440.80492782402 13798.8335016263 1095933.89966975 281147.989287905 9293.09492993828 16048.8078775005 240583.864436403 336022.35793101 3003.39258991282 28923.0320246802 1494319.42423657 957918.169199001 29959.9106730449 53089.1543083786 557734.151355542 239631.211048494 8120.86064240614 13951.4845757983 337238.569600458 493559.808839859 12556.4080971131 4912.9619293829 955860.549811364 705860.307043452 13458.1217950901 17500.0479395284 83441.8229602103 69293.1038035935 10617.8635137229 12800.2104809942 144115.61446755 86998.0381446252 7187.49032433521 4381.70914375479 GMP 863895.671797131 715076.943869451 1980780.55846635 3141567.1191725 182600.726058082 693407.628491828 136366.634392896 224244.151514714 2503681.0492268 1834219.07638015 6091839.34664329 7300312.48941621 112883.496593331 293331.862957171 407073.797536565 649651.98760564 770751.681121052 1211704.83654448 1474647.32255593 1574624.14416628 235850.025035604 149714.741314467 486896.702158602 617693.722978486 764917.8428203 370903.921012888 2909254.30088527 4575194.472794 504434.914992161 983635.890192344 347883.728301786 1072954.3600476 2202338.43480071 2101416.2214406 817962.083575721 504525.419052259 984902.752713421 463761.725804362 1669533.92329866 637663.176470285 800107.331236276 667714.783271502 3224523.83634433 2394789.86633998 961145.642598339 1020713.08530579 555497.704614485 528926.577527418 185889.573918368 120659.606215605 2381964.64052879 2752908.17702263 237867.689548979 215811.768878323 2656810.5244664 1282614.87192151 Nicotinamide ribotide 29941.3725023194 23725.701182304 46872.5589775753 43579.2308712182 6897.4661227217 25174.674447595 43696.4461093166 51869.6568995056 99044.2906952821 93270.0884434632 205328.675725401 185531.391968716 4747.43314909309 7776.63997974913 36107.0495133745 81421.7530869677 25929.3368346661 12581.5302371186 93562.5334123166 78208.1583828163 8846.45373663993 4972.92823497864 95782.4069934404 97607.0239320454 15620.3084736005 14843.4727487514 72447.9441286352 130113.956811576 12856.7815626282 11922.9823555666 35573.5225182795 62189.1120316483 71711.6118802318 54957.9422470804 90417.6789528145 72259.0084071428 21731.3456520683 14328.5363288355 82024.3906176665 72618.9327055192 28186.0746650833 16216.7211464274 81070.8834701086 60497.2636602675 30622.8723751948 24204.3045874975 86931.6906704322 96621.8426115844 5162.17919876987 2674.13379727529 31418.4140678166 42570.4753247747 10675.13440413 5769.75080024365 58222.616390111 11435.5452705229 CMP 1421819.61547936 1168317.29604783 3526669.2413234 4737092.2773962 538534.452632407 1675651.28136209 476308.025207418 921521.414372211 5537501.25626134 4509193.1824576 13780119.4092367 16698677.778938 206981.674041793 430003.592330593 784367.495936236 1463431.61750842 961006.815964137 1928917.47170469 2040929.17696055 2095987.0861542 264969.48144949 183700.171121189 1021495.13992807 1131707.57455262 1420950.99960039 1088161.9378533 2281035.10060982 4211670.65448224 943226.53752642 1530479.23401688 1021668.40650888 3161912.11801726 3836980.7039618 4994995.05556613 2756819.41473861 2258342.39846685 1407709.08096913 935639.98122505 1919508.77493698 506509.829294608 1312229.59702504 1262855.83689065 4093439.97192781 2435995.17792451 1475758.00741531 1410233.80685704 1598410.98528782 1550674.00093697 391605.846561225 360226.022510885 2776219.27814279 3620727.14228147 663674.391165404 510509.582633089 3311752.16372057 1740043.29755805 Fructose-6-phosphate 99469.2999490964 87311.2520241187 2561.77723893065 3648.8582331127 129164.482304396 502583.386506198 77227.0049471833 232320.703620309 362074.422050562 261751.061482339 16958.9775748661 18137.9849061634 16987.8103022652 23621.1131843227 270758.11401355 5348.4737162403 188748.950079134 298272.067040195 3529.65991253298 2135.77152155043 22075.1827065079 15613.7633386226 2005.91254643773 4265.13974127298 186835.011502429 191928.11279174 0 0 96631.1046158573 125236.634854533 1094.94907233367 2038.00833112257 154484.950015659 182055.220705129 2864.88394807908 2063.26219712527 102292.797983093 75936.901667672 4694.76484308439 4171.79573672243 142248.222706492 134740.526802602 1459.80634955612 1373.07498462861 92224.9414217989 90650.1530896602 5995.04206063943 7497.55315605398 36271.856907884 30019.9321001048 2176.42841127057 1877.53224034404 56094.7660781382 36152.8187586479 1616.70242245428 1137.05292996712 S-adenosyl-L-methionine 188838.697931591 140172.714080873 432569.266260484 250986.968197113 53391.6397310377 139179.46583393 156264.964308354 77496.9722473811 683717.414283225 703011.014453996 14568800.2103771 13475547.0067274 51546.1357221446 29851.0750351012 82440.7574228746 1470618.88649949 232216.801955804 250353.671769156 2404166.10983052 1914372.16512983 32968.5072318557 23085.6608082533 1104184.29340038 1365094.0321654 355587.587770396 140134.618130533 655243.750673689 517077.375863338 141009.711825425 150217.580851995 615663.602303008 892734.29700596 472621.796812666 294086.070677997 609343.134110346 988790.208367526 126411.129059087 68547.7572071836 1153070.9794879 1802027.94797872 136121.980536187 126082.25455591 1192374.63773286 634970.531581045 181322.451729684 152655.828631112 1002619.14061641 1007850.26432345 82734.2028477404 76961.5210341719 439739.970344812 650690.594728922 104114.686650109 54568.2236424172 643506.627180768 184727.596671863 D-Glyceraldehyde-3-phosphate 15759.7950092425 26681.4487750479 2817.21806021222 3277.39760549528 4301.82356301556 30372.7592688028 15435.1808446397 12995.9026650457 47837.0009282152 69727.4487272632 3153.17081925347 0 4136.11255850973 6467.41186932401 8353.92520806786 5577.2729952215 16778.7015959824 43832.3133498487 1896.12576276333 933.89626612197 3642.23874105814 4097.34512140509 1891.55787824605 1419.10623118924 31000.2910099035 25875.9980498641 5649.92354311693 6936.00443667683 15050.2785074413 27375.5527370782 1261.03342260771 2155.62277942234 51690.7320091989 59819.0372050175 1541.4375089224 1944.41339029177 26670.1881892349 21808.7649646068 2399.34316670593 7178.54112019409 23119.2398953303 35778.2426733632 2002.85476982104 1492.33871833033 16148.7187657117 19056.6186591692 7081.1835885827 9381.91371010096 7337.33626970014 8632.6273653372209 5452.06542438317 3398.73738965844 14064.7798515035 8866.56854552791 1147.7185213519 967.091393660035 Aconitate 1812933.06177202 2043013.20592014 1862132.00560217 2286740.66120221 1943164.61391904 4395443.24243853 2094056.96276431 2546214.92657289 848320.827786379 943614.300457787 2770.21510082594 4625.87675785354 2265973.96483693 1675128.47724274 3913701.02694905 3270721.78489578 2357970.32315797 1981110.78432299 2257381.10222242 1191800.10425154 1541379.8729625 2117268.34630293 2382132.3338174 3216920.28240736 2727364.48014981 1976374.52661373 2096663.44268064 3792144.52218333 2728227.33190932 4035692.10858091 1508707.74458883 2226019.02474869 2085673.03340754 2014974.75977834 2986867.53799158 2229087.97389626 2699216.12930812 2318215.93260627 1766009.46406543 2172479.39926258 3056784.68345768 2870610.55061567 2414115.08504061 1752340.69679137 2782752.77894451 2502411.87697852 2368062.59582814 1977562.95857385 2361784.27459142 2324944.29039028 1932249.03202117 2183056.39966747 2971021.22071793 1354212.0686647 2443270.15895262 310486.617095518 UDP-D-Glucose 48622.8484581766 46809.6594890723 13105.3589105289 20393.6331027561 32315.6859010405 122749.262286057 40994.318745049 47853.9314495663 323550.18035813 395679.208005762 3622.4730652789 4445.54328270385 18532.7233830527 33051.3396512315 23936.4772808737 2222.29337116101 93228.7489862164 170705.153303072 0 0 16320.0876428063 12146.9070320588 1398.31620366544 0 131455.108028752 84989.0652540089 0 0 42202.095426618 69188.0541556347 0 0 153998.508670791 157208.738758225 0 0 89358.6500672213 60104.5179913282 0 0 67144.7586351161 81399.7984314069 0 0 86428.5365481189 80283.065283204 1461.12752718928 3987.47657082611 32444.959511951 23823.6994700635 0 0 51416.8991471006 36798.0731897049 1124.65492404055 0 Cystathionine 58362.1763232062 55756.8598385448 5721.67510352548 5286.07036189696 1395.99979840552 8424.99402315266 2763.73234518242 2949.06241041239 276054.308625247 164410.168373224 9784.40676815582 10404.5059850352 1262.06033379163 2283.91565869782 7697.93226495445 1651.51182960894 29772.9646381357 81809.6185655081 3346.69786860407 3003.97692743279 6922.35885699812 7747.54983644187 1975.07336001367 2104.07968919761 31676.3016435631 25147.2206880751 3359.46500055763 4977.00281518194 3458.85007640909 4878.49799128068 1400.29358987947 3220.49512599546 45582.5527411628 38604.002654329 5040.0693782507 3054.13980260685 27889.1261329734 15580.7118546185 2355.45817074295 9422.33813629548 19165.9641612453 18875.8350100284 3061.84730349182 3903.14485386404 12980.0220003928 15586.0241026776 1883.66088412004 3214.51184448967 1875.47349187365 1787.19747065963 1980.24441935874 1727.24315248405 3432.76338959331 3110.65690622605 2031.6303721143 1831.42135910021 CDP-Choline 0 0 0 0 0 0 0 0 0 0 11503.4184284263 4412.02583355645 0 0 0 0 0 0 6738.74374026476 3105.20150643473 0 0 0 3774.84283561621 0 0 3129.29186904489 0 0 0 1496.86234481057 2886.55150702815 1182.34179907077 0 7923.24468433827 10174.2468141927 0 0 2026.42455327613 0 0 0 17474.6942169325 1564.82097733798 0 0 1612.85596619056 0 0 0 0 5794.14176163934 0 0 3286.96524904969 10108.9627175876 UMP 743721.504250956 641577.024710779 4091227.44870079 5191390.92050537 148417.977629156 526067.467738757 391965.171444348 373183.835109814 3741435.51806513 2928319.41843544 10257892.1353601 10348269.6655117 62351.5834463049 158085.206027312 313863.182334735 588952.834392566 710719.454009997 1155444.60672888 1996183.0829025 1998317.6682389 180504.316788437 120413.782375844 830291.998790705 932992.779985797 683473.143653001 287729.92433332 2493159.87766366 4444954.76593269 592780.856501748 1002444.57048064 1108902.65105729 3092990.34207861 2590384.87122411 2789411.9403046 2991951.01123811 1421052.18117314 783342.736239378 520164.885083275 1669235.60027674 610388.374187142 724954.759226286 672806.403644178 4480366.26727319 2562568.96454319 964233.999561419 950133.318720113 268108.382771158 226342.368736213 158603.363409056 90317.2540654995 2784969.99145602 3977654.87847517 229457.207528269 172015.257575806 3750112.01589968 1741360.91177605 Xanthosine-5-phosphate 21284.9141824987 22605.8802058781 45802.4992399401 41204.5290437462 3819.60042091806 18798.9897419725 942.620922427534 1198.74514198235 157659.937741259 81872.9054596781 6779.75637139488 13590.7173372359 9097.44505144901 13297.5635726241 9290.00018205557 3311.5198596434702 18197.3174783078 42027.8695018532 1802.92227883404 5137.86083199963 2063.25460259297 0 1408.00099560696 1932.16913921927 32933.9491749586 9159.27025269 7568.70834554808 12957.7474175001 26570.1124098583 64312.8348178024 908.901356018717 0 57618.7146991713 32152.292832006 1685.83444295085 0 20844.7992137993 9746.94459866653 5721.6064919192 0 26129.047209842 28742.3620177253 12834.6339215789 9817.43352907728 58519.5180381656 33472.6354309554 2863.5838345659 1842.87288654124 4565.15998239309 2211.49410957632 8627.32825550776 9213.70020624857 2493.97446400785 3697.6419337694 9779.92538290872 5955.4557981385 NAD+ 4459698.43890839 3742769.81826103 9249671.49279095 9341961.8511212 716597.594233006 2539788.07667514 8451875.07416292 5032943.11999554 11800664.7662548 13037520.0718563 107388747.858659 136730807.483383 546268.4488719 864982.592458792 1517457.5635167 7977777.22894161 4078786.61914741 6787157.36542577 19202086.7720677 16168720.539169 1046671.03928007 466425.831043855 20686978.9198007 18484096.3971259 11403414.9021229 6847386.8674822 24922562.6810573 33105448.8757984 2074241.01632866 2688542.33745948 8864660.60524284 17004103.4110943 12187861.2166988 8829468.14668554 21737104.988972 17297813.4748315 4369498.70541308 2961900.11107575 14944532.4335538 12779432.9716985 3297501.70289705 3596735.74358918 19859071.3179598 12331206.0774362 4256525.30966924 3786382.01901947 15841681.9336778 15292777.1546217 760926.644370013 616225.302831682 7302171.33551884 9520510.9357168 1412122.56207662 886728.437399634 9971745.54887307 5586131.56388045 ADP-D-Glucose 5441.39750577456 6825.97563373166 0 0 76702.7465150613 240746.644910244 0 1654.8920983264 69236.6888936466 82733.5279546498 0 0 1602.98029320072 2080.27929097343 0 0 51591.1233071997 155070.364372447 1601.53141618398 0 0 0 1833.31258370953 1403.68199226076 2382.38299559956 2357.11375417704 0 0 0 0 0 3823.94156762741 2044.72525524791 2125.48440659138 3139.22573795948 3933.31179036266 2061.91925634237 0 1281.92256970142 0 1211.8739707657 0 0 0 16320.8276544249 14917.9058988282 0 2003.07195332184 3944.1477363969602 1678.15689244975 0 0 4284.79642602116 2276.34305474662 0 0 Dihydroxyacetone phosphate 15102.5247981912 36902.234661025 0 0 4631.11970254489 16427.461189831 0 0 29286.9040404675 25102.4648706447 0 0 4578.99080363291 6533.08932555538 5249.69326515443 0 14905.5077252752 51543.0439175606 0 0 3551.6853859157 16110.384424412 0 1229.30966403535 11906.2593301946 11013.443677163 0 0 10395.2090509425 61987.9375074099 0 0 24763.4712089811 63965.1283413483 0 0 16654.7747257109 35750.002888019 0 0 18016.0096134996 33498.3006382848 0 0 9809.6359533826 17511.7035401405 0 0 6603.80625330258 12063.1953419589 0 0 6129.44418250632 1912.27650360547 0 0 UDP-N-acetyl-glucosamine 1084705.23755019 854668.909585342 2640.05606486904 16208.2075755391 487182.346323642 1965483.86298233 786588.117192146 819334.236114952 6581480.02124474 6667802.48353792 452520.513495037 559107.750204446 326793.794386633 478542.495292218 744523.082012238 390007.54524859 1157040.6192739 2116446.1447847 63116.6767974728 55756.3946773019 353669.09573662 204141.944280668 170195.51075265 112831.183467423 1745946.36307819 1162876.93265209 26024.1638395087 39746.1499608286 1136450.76627912 1709925.84435281 59640.3949155351 78280.6294551478 2337880.94546338 2472969.49363051 18457.3997161576 29353.9494516708 1574303.99583614 1015560.98593065 56550.6686822281 52521.0885937205 1410923.32941421 1445147.50197205 27009.4646965535 20193.124376905598 768542.365577801 599059.084946868 40315.2866662214 36639.8102975408 435198.338168879 353096.485216166 24510.2999538194 33429.815929803 773594.569671118 400704.408336216 36669.2923943739 22220.1641557849 5-Aminoimidazole-4-carboxamide ribonucleotide 132721.232073621 159902.648648103 5451.94624687603 5660.93813896239 22707.5790627028 114547.762608008 0 1602.07878167568 639683.877112286 505761.634923215 10660.0760843471 35246.4383348691 12511.7414305527 11014.4513678142 57976.4985839577 9479.89730783508 222855.668192483 390067.024714684 2650.72415513845 9239.41099395204 14747.6680893645 7398.17125729336 1937.93369464276 2954.56960943643 56364.1425687972 6006.63883131611 0 29804.9205237698 26327.3985895534 45884.8656809763 0 0 226081.055371681 191588.721450522 16245.4600884877 10230.6060431789 101736.785922379 61981.6063992625 3167.03882067351 4189.27413026928 73307.5366494793 90506.4075809754 5222.76852557038 3008.73337077817 95470.8200979064 76158.1321136731 0 0 32813.4487898625 14495.4153055586 0 0 21182.3921831121 12231.5164819133 0 0 Glycerol-3-phosphate 357377.513122667 602220.611336477 63358.0347185153 93923.533203312 161127.655698459 1107605.20707392 94770.8502615435 173497.71964303 1233439.15804878 920342.956936334 161556.903819322 216098.602427875 211459.150740385 103002.17114828 203662.84692825 109769.223852573 629576.624793408 1895207.46234378 66101.2232272128 35607.1479575906 114261.855580424 187325.05072485 74299.2367441874 143014.796019675 377018.644324076 200103.930667156 68511.1343973404 128090.589609327 286142.028996545 898969.160933438 41581.4356198058 116625.156684105 714687.855789979 919818.10250721 125967.304785516 102290.321427431 483955.979102278 445866.43705564 51069.8609533728 198904.481322199 335804.393261751 314946.220245773 94370.1053733735 77436.051924251 354503.63101997 337865.715927974 51582.1203346655 74907.1043984355 155779.990985917 193904.769804906 122785.864873337 72659.7014286746 164933.143748506 126272.070787507 50141.9949704302 29177.3366089009 Coenzyme A 118195.778205824 343972.73627084 779967.770665482 706034.2894692 7934.98564125246 157505.908108744 898453.718297263 545342.829916323 1295620.75726668 1646000.39975827 998537.803645094 2358476.85060763 5087.43463321183 25374.4749268612 14617.644752136 511303.842893947 42206.8681083125 512309.992955897 340282.939814215 874109.970213624 8441.57446322847 9981.01774063679 517208.91106183 694089.727856313 542232.513905799 634582.479371967 43467.8507506342 341640.725048313 18847.0421650383 50691.6898177603 227667.526714424 1347695.04185333 917480.360003466 674337.816369488 214537.22314326 1020147.68909546 133496.708291848 81645.4719829885 776440.320491304 948706.88721247 65157.5091938445 195859.493585338 660530.228336848 701043.014980888 150747.12274191 245927.077164388 977305.522160531 1369972.16024527 11755.8232667444 50864.4962484884 106430.214644698 436459.182028774 36535.7755625622 50821.9173080055 117935.45707794 141667.999686978 Malonyl-CoA 13082.3956221195 10284.0479606466 0 0 2681.32864066874 49590.5462603126 647.6178239652 10017.6611412379 60090.2267739666 57114.3728124257 0 2369.06866589389 5017.78108086547 10134.2186424672 2868.59027049156 0 26559.6621144763 65111.7424223782 0 0 0 0 1488.09315212636 1741.52293178542 46875.0167583388 36567.1415270205 0 0 15560.9601838364 23758.8106321275 1400.70065936544 1677.71413273087 40485.808536001 24056.8352842505 0 3093.53395746218 4271.3168234276 5313.38784176793 0 0 44998.0688987671 69945.5233424112 0 0 51560.7427826926 71677.4535271015 4763.46665636431 4592.77360440691 6805.86681734838 2440.69110228418 0 0 15767.7104038528 4777.9205851085 0 0 Succinyl-CoA 24181.4902805302 6256.44652388097 1026.93847903906 0 0 0 0 988.233799975693 112113.185971171 168713.483661087 2235.74877384746 2427.12986151986 0 0 0 0 3317.11736299836 0 0 1410.84608538041 0 0 0 0 35674.5405733579 80665.2849819669 0 0 0 0 0 0 92868.5631728081 2242.45790626199 0 0 0 0 1159.29778269467 0 0 3173.5561260514 0 0 4432.15772039678 3904.54956571098 955.646400205653 11665.1479490075 0 0 0 0 1709.41469281109 8095.93756811533 0 0 Acetyl CoA 994468.498867147 755154.198091062 228453.848481644 271751.60101337 116422.835635767 673235.767302242 329902.328042599 115511.519226444 2621810.65050937 2309635.21157841 896829.301123502 1256471.14980856 100797.41576045 238733.77128883 227157.431092781 29418.9571875994 997028.094593898 842504.71837085 35194.2650686842 28974.3839351021 159839.808896076 82789.0485977029 451157.57668981 167171.877387706 479144.084103159 98648.5243711415 35366.7596491647 89342.9505537671 483034.754435716 721475.299990547 323221.516781306 353538.909332028 878537.324071465 976565.187858148 348541.97927968 523408.732649147 1285212.04673995 858262.747911642 179486.982783379 607494.710712108 816190.358611134 909189.469295012 34435.5178113896 53382.1013025699 382274.432806314 349541.023546707 164108.881380223 405960.345171606 362091.677806855 347621.525460166 90603.7095492543 60886.4172287582 857062.023279208 450109.076211676 130164.66629278 21727.2890727631 Cystine 868.819565249943 681.477119928159 0 0 0 0 0 0 2980.40169313788 3277.47745689223 0 0 4872.03712065435 3786.8937347382 1878.88256718748 0 5065.72367404792 0 0 0 738.503965702366 0 0 1237.45749646367 1046.65972410028 0 0 0 1013.90645245983 1530.85448074593 0 0 1122.59315046546 867.367753692486 0 0 0 891.868459471093 0 0 2922.16586481122 1518.29477294301 0 0 1074.10921810996 1162.99909798384 0 969.128229862089 711.481376028708 0 756.27164738209 852.119860334372 1249.55011239922 1449.7302558652 0 0 AMP 8624840.19259927 8213948.66432231 48507667.923128404 58739126.3430948 3461970.90614543 9771599.16544094 4324187.85339612 4342052.19762967 19034880.9357484 21830585.0526573 175256785.784499 188937657.70783 1817279.96428924 3168881.16836477 4528303.576867 14905558.6650939 9946843.20588367 15296475.1698297 47434947.1190253 42152809.6388511 2417118.32129135 1541186.05750155 20903561.2971709 20188385.4775657 12819133.8801846 5595449.12102681 59548175.7719051 112552482.891429 9977518.23584368 12618058.2700069 19355534.9728304 65493474.6914669 27556950.1889707 28713795.0553391 63170473.8452674 47259850.8876197 12952941.0186304 6468101.85716228 32914318.6541708 25629279.1358149 8907452.81477458 7646131.34577683 89571243.1665484 60331300.6943815 13871936.8615297 12649353.1588224 16998414.4676017 14467115.9010489 3711385.08265286 2304245.22514186 47507619.7772661 71208393.2882889 4589748.41727224 3074227.87259193 55614943.2520248 34337343.8896155 N-carbomoyl-L-aspartate 1480473.63006559 980180.80644681 62290.5465058057 66977.0569964109 173560.701530795 849729.33938624 51614.4381816968 79037.8227255387 4196904.66103102 4374712.2256324 17961.2785237416 23846.15270928 4872487.70054063 7224863.61299684 497329.173278271 81784.9146779595 480506.14679535 2160757.65022671 81100.1781286138 62083.6062918531 966346.11336544 352929.852492997 298657.448712559 205746.635380249 3548052.18813801 428062.006641301 148264.768754211 121993.525829123 1018873.6760496 611910.517947101 47184.4417920105 77725.2319321352 2684020.02988888 1098992.73275189 78925.8760617613 60942.0112578571 446216.061858476 287328.71016165 46764.8684611806 47040.4250051477 525254.194146207 768322.99440658 81394.2907765068 63283.361719213 974937.729701508 847484.605310888 78283.0916155907 60197.827392754 129476.990250391 90126.8865027424 73692.7390537583 74713.5343297775 173552.370520253 78759.4037661008 66704.4556174513 22537.1671596949 Propionyl CoA 0 0 15371.4429270769 11150.8681032428 0 3234.69749878378 38968.5203142225 21162.159311621 92262.4405734836 25583.0930585965 169513.482838756 522221.881127647 0 3338.91920111172 0 119564.676841176 2613.07980881791 15777.0074607587 43602.2649907062 32488.6615638542 0 0 49462.6609581317 73922.5930946255 79959.539954381 202128.817692815 46646.4945200237 40752.899307987 8556.80969985613 18030.3251928671 85413.5838693594 91768.4552121298 15509.8004281295 4293.1956044749 68587.6481491099 97954.8054443975 1770.90903167535 2808.59363343142 39534.7931222258 28626.1459291225 5279.13229291356 38167.857745882 17203.7198828479 14322.4847043219 33549.0278584 44326.6483986185 66708.6480450137 93438.710837726 0 0 9429.32763037944 5370.94742992265 0 0 8064.85682116055 4551.7509136746 NADH 53533.2349467564 93071.4577031696 58591.6329087585 108460.285442485 6752.86992040169 109459.748203292 30511.441252817 82374.4626401408 142334.032298561 277338.515648774 153543.150244939 629152.477484186 1878.07117114454 23436.4853598012 13562.5000474131 74327.8335492131 29759.0511415842 60752.7666722934 55556.1662697173 177098.461914154 6409.69715511563 5654.02229013687 101998.502435882 207781.861528298 183517.804657032 185838.930621626 74727.6562924115 272853.568126399 15411.4493322148 74727.2769036447 70423.4026997261 221153.870896089 137576.355414171 173335.057816341 77545.8788407617 333964.520840417 56882.8478757164 76435.0201836199 86381.2795655309 104814.991049433 39088.647894313 90767.3702112541 90543.2773855506 164409.404875805 42062.5890669344 86011.0786376546 77263.1990592136 252062.929442883 3525.44368892664 11019.0971002763 27764.3962110402 89355.2678328511 11847.7025935997 17888.3516640826 52707.7943615626 41373.2379976072 Glutathione 4244431.75663058 7835445.52840292 2742503.40800078 1424310.4759426 842488.952530957 10462546.4599919 72072208.5637337 24402190.8816319 66008034.006511 52123285.792295 2585173.00886299 7868383.58458293 41162.2681562519 178743.700578413 236108.403958243 2234220.84029353 467746.487085528 2870134.503146 960602.084382146 1499285.86139059 89482.0480450281 32655.6590384992 1297597.41042939 3747155.45531365 7239111.03634748 7096954.54224127 24059.7118932288 52887.419318252 358524.428844355 1064411.38349937 555026.260293886 1756947.03578079 29736508.9808806 26942634.2192223 86531.2417134594 909531.954109279 7336944.07535616 4456124.25778406 5981563.02891381 18836690.6254261 1694880.55331666 5585832.48831889 1526183.97223989 1527566.18471186 3191711.70648775 5151787.54156206 7359138.81757757 14819433.7409573 114956.071208139 134234.757951566 1356099.44226449 2274464.81226458 82576.4626671859 94050.2557483657 939416.699922335 612940.619307686 Aspartate 404959.841342866 566247.670393845 73180.4724048055 74379.1208035558 84560.8359350529 383302.517635944 598119.326680639 609108.564364331 16395864.7654527 8231356.01703576 591874.759997303 827013.201176437 228745.26224289 212227.562973255 520886.214848147 414951.546875066 662680.912864619 2286343.27189159 320225.617141947 236181.812836229 139162.18763291 97186.3519239766 117959.517455615 180955.88575573 2789693.88900426 1441889.66326189 186775.986372607 116023.519088545 373297.169806949 528770.548310626 107175.705162605 196734.788943506 5873337.80707379 3983467.94468757 159807.955702036 172224.861468583 654236.338522528 607149.963299288 384510.473608659 308792.988324866 822734.005877427 765238.757563118 329468.074564928 180480.716078663 1319291.33450729 1102437.41247306 240562.700254429 182158.721792997 233908.761147496 176963.282805387 334391.945914704 496200.156149974 433305.509243268 227263.219882962 444714.079716426 251856.626693044 Glutamate 68058084.7207325 89986684.2302202 366467.711778921 442386.191247742 12849587.3498571 68524331.5188827 68632027.326654 47064373.3418547 600217271.473998 357179582.489836 1356347.51709713 1844818.59402723 7354852.74987311 8373975.61132491 31792325.6018776 5666798.13880207 64758380.1988236 165267536.576156 1384100.78955799 1061438.78836181 13270878.1874985 8761652.61264015 3982074.34832519 3733146.46655662 166072157.139636 71253424.8520088 1536878.04657591 1488320.78602493 40119767.6090173 73207627.9473424 2119136.9591004 2588329.4967867 214867194.072913 213602478.780096 1086191.44463437 1969998.10807303 82532944.9339882 65816303.7697233 2554074.86756666 2405969.92786667 63613966.3637755 78735560.6541392 1238920.43087453 819230.109567875 115833223.761314 115983921.808912 10192376.9643432 9451981.77077734 35129841.8935581 29552155.0113137 2680833.35277185 2315685.43834601 66288792.1172795 34924972.5942603 2118206.49131296 1296419.17197045 N-Acetylaspartate 85926.9953318495 33806.0314792821 25465.152384972 10477.6804425459 21831.1141567384 35154.131032585 10413.3568316019 10619.850097045 153943.894667211 59484.5711257107 25533.8972478042 38250.5080778003 36908.8994285037 33105.7295601589 598182.756706856 43225.6227272147 64037.1035623505 60742.6293473047 22459.2349101316 11264.4572292182 21671.7806622173 14898.4076615016 51632.1713897931 21434.3437339586 44023.2236827024 28222.0167813165 19790.2510856121 34937.0586332903 58938.279673392 71949.6764057309 12671.8780439866 19870.0087848231 34915.235334606 34696.1076354255 37646.3013246712 7446.64137635763 50058.7195816478 41088.5888298737 16372.2784060003 5847.77580925861 80112.7462191723 40604.77645236 29064.8669961981 9493.05939482313 115005.711623252 63700.9572800542 19388.5795618941 14611.7450395227 38783.3382892658 12384.2677108055 26655.533822271 21640.3113612989 44568.574972969 9610.87101654919 26489.1299745062 9430.12394994133 FAD 60407.1504261871 77704.6573686474 170153.521130864 202890.327109492 6361.48787116381 79631.7622771617 83164.4355539693 72130.1923455918 326307.214915145 367801.498279962 833416.166389972 1193246.16868541 5427.09733546119 25379.2662555345 9822.47301902241 236490.352266636 33527.601327564 109867.366292004 193965.3062551 175787.194334198 2536.8131806898 4911.49722177013 129934.094606464 190590.784744815 116453.063505327 115388.19095763 158767.615921939 410849.158587861 10006.5139785056 86623.144656854 98152.9760837163 253451.776096565 158965.656287635 168548.190230127 100719.190774963 229739.048180213 72469.670876715 47455.3912328958 124748.783226735 128105.148319209 59723.2110037831 86615.0711905801 137348.165247524 146041.19341349 64288.9324516694 78107.5398921573 147212.090285967 212549.423625925 4740.10915670082 11249.4391153183 96180.8051654569 155013.825635906 25916.0694164224 10100.3425312142 107000.978750483 89226.0979853406 Butyryl CoA 0 1922.36823527292 57413.1271434014 63872.2762462388 6107.33449629386 68139.7777024488 37118.8871900807 54748.4805274222 0 0 659455.319394938 658612.228117586 1988.15269323798 3809.88035450828 0 91631.5351840048 14224.0877300332 11130.4868573437 65850.3687444221 41454.1623359873 4096.28525536697 0 56493.1176871124 59933.1351712136 4478.70836413794 4806.33434833485 27489.4256342045 48114.395037561 11138.1648871802 10826.8053853668 48240.5581315059 98543.3163918345 0 0 30576.7867218811 32068.2546978464 12166.990728636 0 39574.4844652051 31505.9586017229 11602.9784024595 17280.9919379319 81510.3833571111 43448.7058346698 4790.13325141753 5887.28320697218 68338.8183936434 130278.727677542 3573.65903935053 0 37246.2631241522 37485.5667220016 7742.2441212023105 0 61339.3714650908 12650.8705471344 N-acetyl-glutamate 606901.594188253 855621.227230876 40045.8915775034 44696.6945523776 50827.9657706579 146966.070246169 73502.4527190315 94136.9937613262 36782667.1430402 15332504.6997949 158937.320322221 276894.533942165 295639.29322185 406587.928184351 451715.525967023 46248.7611535323 1087105.38784895 3060852.43786352 54269.1975644838 53318.0676752526 195966.647787426 116974.56027903 53533.7944294527 69316.5079589587 582027.458876553 174626.253008789 48871.5809136459 48498.4297859753 262734.636580091 800616.474474468 21156.6902390147 32322.547535441 18275669.6592503 9515402.33509139 262427.666207826 168738.012324299 1655172.99198896 779374.855003627 45793.1278519018 30573.5357731503 956806.875333079 1251937.8655045 66856.5303541941 40825.8833466575 1433847.84177882 1346274.59864478 98327.0946829877 95599.3936363694 252232.456152999 117657.337389599 82681.4507673903 112816.684212862 260186.016119803 195815.644801602 68697.6707498183 54418.4478364808 Glycerophosphocholine 613896.507688345 497597.678128899 969597.394773653 2256300.67289446 361706.557240239 1485542.49708366 738767.459895094 869207.373926078 2927485.85049159 516682.361872269 3488604.94688553 2503983.65357129 3242687.92886189 253249.625709268 1921911.25641614 1207067.34742992 1083931.58275125 688769.225113708 435801.123006753 330000.035856328 351675.397296639 416564.960075099 1321020.25041857 976324.706584302 930371.334641207 1295195.99215224 737629.403615955 1255845.74537212 784656.322549935 2421301.64666428 224089.343529713 1197023.68262879 802069.840238417 4386440.6123795 1735370.79385346 1256155.79194319 589346.380468908 672772.525112557 619015.760317777 1573066.66474843 1174111.55915205 493228.339738527 1007617.56869629 988359.569309626 1008098.34452094 942225.263013313 523154.186782408 1366199.04085234 480985.953523871 312986.565642885 2470554.41191214 862982.778804935 738107.696686239 1645034.3490124 727170.301327188 487982.562125104 Acetyllysine 1451566.75478866 3169492.92883156 3053458.63081686 3126347.68986435 30680.516127308 262955.623677037 4063051.71042955 1071300.67350741 59264907.9132675 30992645.1152389 11546638.7817695 11535352.128209 62906.3349931863 95290.6011352376 228821.947571422 458383.090312756 2091776.36439841 8184024.36462843 1625224.41401626 1279530.56568639 178800.281650068 79938.751545016 2289559.91356368 2348403.28292087 17429665.7513453 7956003.12637077 1093913.07790007 4179605.34634249 920325.667493066 1701583.09622687 1018309.01469226 1868440.4262084 9398307.12430669 9614470.99539524 1639558.25986427 1434520.13116196 2421826.99213567 497311.558386852 1055799.73263025 461479.221678741 2261908.8459341 3459603.70602121 6353152.15387977 3306985.53021817 4414707.89708803 3601204.16702501 1762272.60133365 1583640.5159908 176383.436529391 120807.43569200201 887499.528405244 1671559.23661506 408519.452528178 169412.074460337 913064.423594185 887580.997796892 Itaconic acid 102116.064429951 137322.037702459 0 1174.35494316247 23916.0643626588 107094.644604277 107663.985145051 72712.4274346273 832545.253307183 567807.357634167 0 0 15191.3780331574 13200.0713020733 44181.1462732125 5880.66211697913 110042.348102171 274966.282896012 1052.98825248761 792.289208143919 27158.6519956122 16519.7545788222 4387.10346581187 7861.9611525896 270739.378831007 111945.580113082 2900.60853126362 0 61206.1964835011 119029.161664241 2861.83417616821 0 351356.709521337 346820.685492688 1878.90353743 2819.96047611231 133754.049475247 93494.6904648022 5239.56388469642 0 112820.581474375 127407.609922848 0 1764.36791399194 184848.507666488 177952.298521985 17272.5314005997 14338.7807162311 60241.1686470323 49430.1683155651 3541.64469669331 3276.97648946 111574.313513311 49518.0523768101 0 886.786462159684 N-acetyl-L-ornithine 994369.011605714 942558.686872369 212497.689002578 188511.568999365 31962.955152683 215910.675186747 305731.685597893 200083.337990724 4192567.52525416 4199586.57706996 2547996.59852137 3452233.36361515 1959167.08112952 2919679.1669751 948219.439886962 180094.667305295 856259.398512206 3207265.82267587 516781.033658352 379522.758839365 91759.240182644 37546.134468588 286917.413229998 233248.042496912 1369792.25098121 305480.82623231 611318.920593862 365990.695645054 176998.005348622 122493.301127047 302340.183607704 865036.603270141 3285631.41279941 1158416.76249713 1847779.64856868 844524.188871968 591277.019696874 154808.748178208 664753.035437606 412842.128934038 226298.552242317 351503.858744189 1877151.24944877 759106.759059531 274755.891576577 178030.058868465 599086.35461313 485213.657018391 248133.18834399 265912.093320411 446751.216865634 1021467.20297861 471607.401237574 308722.311467937 879696.859628877 449785.398432089 4-Aminobutyrate 235720.474500608 241718.977763592 206940.856682799 336569.347675132 212642.291630493 668968.658189089 4576771.82654866 1885030.76266061 2803023.0558158 1069563.71580748 1279115.65737636 1147654.6025971 553463.234716973 275740.387053635 655846.182157887 6005064.84300282 282203.191983176 695204.72459488 182730.883436013 171473.452763553 192289.350528518 227535.329932484 749853.491484361 1220655.99064138 4575701.85520016 1760859.0875303 3044376.85423728 10520527.7407493 752517.653822232 1627455.95124408 545206.870789119 1225046.72424284 377813.840320108 451930.534156824 290934.499968578 536941.597701664 1363420.24287302 744731.8474222 1049693.22000741 994547.074230566 989843.599223392 1148661.20615856 2289534.93852262 1291896.03979975 3696889.49393369 2189284.76580026 1219924.82770895 1128924.78591461 1136864.67572391 718566.172971555 1883733.15225572 4269230.0123394895 1395924.13919358 862426.956037356 3595104.5619778 3058265.28517538 Asparagine 308012.480731383 330084.461842631 636157.545537622 544375.323835048 134439.451704531 361291.051330636 7648886.58407312 2106080.85069135 3090031.85494596 1597163.51133193 2892534.90091046 4785755.99480559 82983.301421773707 85500.0843888892 199932.874451715 861379.980213939 254983.085769835 482345.392200497 1407244.56591191 1127891.51228652 55969.5571141566 36848.6967950756 1534565.52385059 1428102.745329 672810.761959013 355990.803740102 460421.865091384 404375.784516344 328138.206263265 389560.87348658 1021891.22616876 1903576.19794881 1036945.77809107 998013.735053884 1879475.50438422 2653826.52936945 379469.165042097 252807.797423466 1363151.72898138 1115893.82243673 264509.844589869 249076.913233653 825833.988755774 525914.955896888 686421.68757698 534651.643880253 1407980.08957592 1401263.09794275 157899.522015318 119097.765353011 571874.383263792 763254.909667612 259400.766546429 129832.898264697 851146.366444182 523830.886805346 Homocitrulline 12174.8029133597 3328.52475875614 1918.7915393301 2097.12307907434 43743.0754562645 155211.823747705 13929.5443779558 23583.5961881447 123021.723268752 77516.8491330665 194911.338393288 130544.671703141 12508.4815961205 18229.7122371173 0 0 3531.80944150308 0 0 1714.18881846018 0 0 1681.8475093371 2041.03202329502 10750.2570818986 98034.1913746347 2236.86569605907 10858.5601163615 12320.5641453245 24352.6895936574 2177.44860288822 3847.96602693709 3287.24866414575 7412.34099676509 10217.5335300422 12342.831070121 13192.4864457434 11274.4441505507 1973.88520268895 5830.26443761073 32228.0567209618 17123.0951349132 6273.62747603324 2686.8507007916 47847.214625037 20860.1114345534 58974.9367965638 107639.588407981 9792.24692986943 3811.56655860209 1505.82274693962 1718.60211976369 3283.56448492457 3811.55215273278 0 0 Serine 371683.655837311 339291.387207342 83550.1064872177 90660.1437719398 78733.8136769195 281123.400950858 145832.603531833 93268.7955512834 5534249.79751299 3087811.32317777 208465.781161816 122987.653278523 269785.74208134 85668.8782928871 454709.703042214 113905.051874469 368447.365700556 655526.938608665 116102.007612563 85295.381849697 78272.8571753228 63961.3951775203 114457.055851096 92885.6055747863 384143.883105406 182915.312721461 293453.610050839 141535.227473987 399990.337643146 465459.1138606 72883.5949830747 118457.466940397 836597.085845107 619512.975385837 101502.051370978 75628.6612734168 530843.412030811 218119.824888796 102831.081207582 122854.73783204 481178.238441396 385224.01087598 147030.119215956 74734.9902015448 698207.090655905 530205.900272872 100296.183013364 106257.960268519 155053.22047366 96763.9223326059 152087.803416935 130911.134526148 214490.516636785 108815.773749624 181964.143098994 95467.3280823441 S-adenosyl-L-homocysteine 25472.0641317255 48168.1082420598 21555.301419887 19365.1981462977 6618.73425317197 23246.8750972458 46879.8988874985 14878.4289440858 329748.393170239 158288.789030511 791215.592064835 1476655.56611986 2243.36083969167 6325.03396144723 0 61392.9597367884 30243.1302937989 34304.1158013091 119085.464165927 101481.14282882 3379.89232875068 2187.78074352947 56040.7120889256 89166.6756052858 51601.4876719394 22869.9389123369 25656.1053321689 22957.8354554401 19735.5898375017 32906.6964403041 37183.7367537029 71234.2664433049 75034.5610207733 78929.7479571838 22737.7489716246 85299.4465239679 28485.1094329252 18874.4900098838 66045.9298551771 142350.599687605 29164.7994312396 17128.6602683202 49905.8107321164 43893.565245786 38004.7442099515 38685.5600029112 79238.7726965824 95721.192293267 3842.48919652661 3995.49970381776 24933.9184850273 33182.5683598941 15313.7144481142 4523.18908884114 24020.6023890441 31113.4093435431 Glutamine 13677122.4044316 18142233.6001586 60858.0785459992 69468.8490844885 2494703.66398022 13447375.1810868 7096357.1451385 5321578.14576572 51285770.5640022 40912161.5266414 179799.259832556 365213.693286185 938566.560895315 628558.751097837 1912708.74224644 192259.336759778 3789478.53916003 13954102.7300129 45773.6798073191 46973.3575828819 1657313.8176141 1042894.06914472 240307.08442419 321753.839571103 17082987.5724541 15508368.6453436 162181.87553594 238528.591949378 1509051.67701679 1763364.7967486 123204.990559466 782475.967322376 11587773.1984349 12300744.5645179 83002.7244326349 347674.552975019 12700640.7338257 9844340.15083822 102261.565329163 104332.092716025 2264526.24375493 3103471.19722574 65679.7497887715 54277.0570375589 9824158.44936408 12298645.8280957 210778.095551403 320390.656476991 3559297.84454789 2924323.20387382 161626.080928349 220554.554749328 6091736.41182071 3506198.66814469 392512.693401111 173337.69541214 Histidine 109260.343264438 246941.229792576 1202490.15332976 15975.138670726 93027.0361453365 359398.166115814 267606.37852744 198071.609448122 2756122.31898166 538410.095621819 11699968.6163791 16375484.9663384 181480.493687877 100288.887772215 239188.875207364 659983.272165724 107706.522344085 215640.807185089 2275298.51741331 1963898.85121393 58429.3963881459 88353.435887361193 2747714.21113622 4588928.39306481 389026.931193135 159506.403017075 712579.018619128 485147.025443676 164239.679726687 181017.306681363 4711975.16661991 4762909.93707012 549872.225129895 486623.374692565 1847643.30173753 2437800.68511303 242722.586073337 96906.884231518 3099724.01407006 1798481.97766527 126277.411387697 215558.569246365 1008996.48598806 770149.472945326 266790.776214449 157422.006943577 2677077.28655131 2455851.90520265 101524.716363016 120732.026345005 672966.123743484 894558.183892526 239214.162173388 77609.9719358052 755639.235685222 546337.467128898 Acetyl-arginine 24114.3498232874 757780.237415296 35491.0700170159 143482.690932104 7097.64614675168 232669.068474454 70883.4833977949 73024.3676786674 46036.2630174687 921912.101831191 697513.332335323 692390.36109525 19287.642315341 151646.5813229 158550.938237453 146513.781768093 17390.5703625518 491533.360403794 327147.422005811 302385.675484882 15652.711864289 72298.3948531744 66750.9118555785 157609.263179362 231687.660695223 113904.033137642 95520.9557015505 144372.364763369 542360.817782615 460596.386607425 97203.9868639442 621760.494133792 1067905.2067497 780228.256353512 529816.329777512 916369.545326285 434983.232264366 743183.498890163 80866.7346896777 12724.2045459005 104064.732600871 187923.336198931 270596.844177744 17738.3184986271 687412.139304485 848665.149495452 155544.140466069 15702.5619691616 23051.7342742143 214888.155245128 14981.9072481636 104496.382247371 179722.566092896 185408.070055763 68485.0086902764 120845.086067255 Carnitine 468654.382511006 374480.180765954 736771.174424993 1765286.71385907 322532.447846727 1317643.97656265 489314.441912096 552679.585577847 1404005.03735213 342939.164005814 1970038.76090754 1546476.33031782 2493767.88241966 229398.08782881 886056.038259305 426702.172693448 730920.745724962 625655.571645132 544640.186828255 357815.494531917 367003.57693237 426997.511506671 989600.730564113 761783.390202078 633143.69022945 1066064.85008935 957819.983523752 1077455.75264976 521615.977912638 2383428.7171265 304462.185954358 1344772.29010202 536621.964608419 2528198.11414217 1222022.17369099 1402772.57367062 609353.709569146 586237.859070856 505410.937328012 1049981.61315994 914360.264733602 488603.093065647 657313.808585153 641387.563880892 651497.97250007 625944.904440473 568648.112465084 1133786.48080355 440588.029253252 287268.624313331 1724049.96070174 656523.960290965 658412.994042169 1251460.39074414 802386.318686152 834605.417762735 Threonine 883001.035189224 905369.716505913 112070.230483805 119114.116415245 176808.313872524 613878.226687407 424110.802012186 409058.085823486 11926410.1272063 8697958.23711065 1211549.52307577 2045307.31788813 260497.87150535 203682.615314038 685953.656488859 558999.472995157 1012199.25095339 3544801.45128413 231743.066111703 179217.325397321 164628.954107199 97744.7488883159 229555.707223925 230360.409291582 2391223.31174913 802770.056994816 248220.413320157 222159.527493031 337531.108484484 453250.88865503 166261.97674037 289889.39367024 3763181.99309979 3122732.82826552 194234.911329971 298105.978056506 667333.819118932 745409.526877948 176713.138492684 219377.64920184 451146.26991427 461754.572552526 147339.504683133 107926.773048132 883855.861281461 797436.28200623 421007.974577203 345519.241878179 310425.64179206 221150.120263502 123930.094145033 121382.690355613 510045.003850906 247647.806649773 147208.798916595 106073.703539496 4-Guanidinobutanoic acid 146008.410123599 136692.30698846 822253.532777323 2767910.59729213 113289.596828069 259336.181180287 117054.017424347 202949.324370694 789141.102334236 133826.595155093 8700581.26101129 14954732.4203526 258671.792058428 94356.1646671079 103478.962584716 93474.3134775949 164120.630823581 275855.259701958 948275.430139523 1720723.35483111 105865.67233927 169258.650060487 422747.137122192 964014.660709645 159184.91427296 254525.70915226 1437927.17849422 2030145.36929984 98127.0831037784 299684.488404133 815196.665665349 3722119.51224264 217662.670321843 255001.266148488 1377866.67791505 7508857.087533 396657.399761299 115215.937120232 1033659.05487322 558185.062574964 222946.656831635 249799.471530862 1402655.76151295 1689429.40986209 203161.021263114 150245.012847135 578427.825357189 523752.249169285 187008.973484515 117801.133955474 627187.733124101 979474.084300816 274827.619163878 158576.395074687 932227.134493676 1333350.36514753 Alanine 424462.257499057 10658.6628910395 205005.398447545 140442.320670303 65866.6104849478 99686.0938363817 250448.594250281 29742.605126192 11158.2523013668 691411.076412986 4049744.36136576 754449.196162996 171807.804550692 49981.7395746872 718279.028024481 299984.71463797 247585.599858891 1278451.72208803 382821.935131237 33614.1822649935 95241.1087184551 92362.6004403799 307608.234856772 451388.729211292 110704.232171629 33480.7852822899 316103.530135973 260604.356081982 257815.907698804 417789.719993048 50815.662738497 365015.240892632 0 1061448.22408614 442248.949320115 88029.6506966462 136554.615566209 99365.0026953585 307548.405692985 853092.753372803 225024.989983559 365460.936180773 374723.274255022 250699.66121652 172535.394293449 422617.583375084 187413.190464094 27232.7756144547 224358.031208822 180852.852743885 506447.533002852 213217.836273945 75464.1883431915 285209.463359163 423600.80172418 637291.743643442 Thiamine 30601094.9399228 34647890.5931275 36966580.4824677 51804877.7114581 29438344.8941352 103056981.53671 37673016.3381661 46087859.9980659 91776066.5519389 44215131.6123347 29648656.9656458 40785509.8815512 30371788.5679298 24322389.2938111 72174814.0034596 68670304.7650753 41206055.3476076 52605713.0579038 40734813.9642202 35102765.9643108 22615093.3609533 28244135.5934028 45297981.9546578 50388252.3019427 44165403.714681 47612499.8441925 49491789.9896252 66847774.8340461 46472874.3531417 70200541.0756198 24142675.5200339 54562509.2608804 46923407.2908467 45598275.7553388 40511303.4044374 43148073.9804337 49404609.8975295 44765800.6512851 41456218.0998555 29821051.3572374 49140442.8030656 46982483.6350933 50760758.0113279 36653863.5392726 44931608.7820879 39549343.4954002 45850610.6311193 44678396.47083 41673078.5873782 32384938.2393962 32699528.2976715 49434237.3437201 52975300.224901 26714360.3853555 47325167.8347386 93402059.61854 Proline 5088557.86656753 3077399.62863036 35553398.9596032 39804904.5856211 1010552.4095793 1384645.08019426 1322845.4282893 1535201.11284406 17890220.7181171 12383875.0076935 221124538.418553 493256166.310132 1880529.9746677 612941.498572065 837889.751973507 1336316.80915144 3814647.17670106 7263603.79641877 22967734.6439021 25304482.5740122 749517.61725428 446685.753895148 15875331.4319747 21702071.9218681 4108707.37097246 3000355.35424459 2987142.95185733 3392624.14636658 1916849.67101083 3484387.91464528 33751009.6730648 107625281.654306 10097575.2638393 9317805.12460487 40041066.8863355 97513231.0851933 3175639.51161032 1926238.22453794 21731705.5967765 20320142.8952337 2044206.89053104 2183612.43597204 6199381.0354586 5923604.45362149 2331775.82284598 1614219.43623383 8454728.25866254 11116288.5222426 2571243.14801889 806218.524349039 2438165.04669737 2277608.36884951 2063758.51504037 1106770.11598179 2631287.7736727 1841344.47402616 N-Acetylputrescine 1181560.11982263 570157.321444935 759018.68213876 950095.932693469 269394.833555958 435549.437260553 3214637.83351893 2979669.72865546 11121180.4707876 7417078.70787234 42201307.352376 42182036.7787276 2043806.46125615 494446.962986499 1800851.53587805 5019443.74129425 3300078.81547642 1767411.60785107 2243369.33142924 1645683.87019405 1284988.77951176 393669.080163643 1849060.48454123 2512002.06346816 2679792.96732383 734298.428879287 1295420.46251216 1928659.80714672 694578.938496331 1604435.51550288 2497167.54964183 3345079.53879955 5057112.72323838 3534187.20778172 2109218.17148521 4437454.02263057 1218269.46366738 838949.553310964 5089551.77431318 1327000.46496549 1174891.22713022 1637845.92218077 1696274.38074392 1612250.57138725 874104.353358889 1574981.09165021 113178.066207717 167649.930451513 2208481.33462252 372051.580120275 4910897.86118171 5472178.75027858 1152696.70795564 523698.615599466 5069216.60377172 3584507.29902152 Pipecolic acid 82541.9367801818 59919.7073951174 916165.526628115 1147347.52687937 63513.020191892 90237.4637445937 235049.590350621 188516.801871091 815735.778099168 505483.674872629 21659124.683162 46929942.4992912 77278.9826468345 73733.6687694747 87794.3434974896 84512.5620504352 87062.6969175426 148093.516937862 1629305.54375353 1549801.42617674 20499.5638065746 43168.0992761182 589209.682370277 583314.336188843 135000.617130096 335356.455183755 2040848.94624434 3047783.85132685 69407.7180243998 118807.209276373 941585.643496054 2722963.69347261 120472.316469853 118375.151532456 6361667.62810861 7699699.51197534 77553.7820863185 48779.0798942624 855502.241450232 619965.47855158 118590.768388964 69361.9381774524 891428.335920862 724764.16161106 153971.748428091 108310.548788132 3993158.71194785 3357931.24317861 102548.602393056 54705.7421913091 378267.826451233 518697.95483903 106302.45262167 84762.885775269 467796.363290594 386758.13356499 Dimethylglycine 367573.980472573 136881.670823075 262487.024586152 240606.23335703 123034.954917469 183995.566743343 217668.935888856 183206.857298237 520635.536736086 458121.169379562 275092.47905507 384489.574942457 221164.498449779 94077.0036339156 55619.57469445 75882.4343182875 230162.618851335 380651.59565726 253185.453984556 334085.590477206 99270.3814891607 177914.710153536 318232.30532067 280826.1771084 247926.606687134 368987.749327485 372629.720901724 426616.420283701 209048.384376414 805506.620677578 129939.319158699 295656.772248076 435343.063817178 259536.076049828 335811.556122234 744239.517689214 302411.459652172 160023.786134852 372948.750365269 464771.359548541 276516.640650602 179111.634776239 396801.656757893 291133.743665372 260649.674172592 149755.890466054 270017.395309886 296542.276458678 231501.625598675 115901.774960773 223400.264442648 256058.238193072 312118.706885341 264136.953783154 300594.574295201 154887.601740551 Pyridoxamine 1145316.28308542 517644.501076015 247715.421992033 366173.671577425 218113.730951205 615671.525128765 183005.566731294 204428.51701004 923409.640916706 1228075.59914217 250751.163756106 272986.519913853 288774.774528515 146084.622792431 1045815.3992309601 230725.687074827 1868139.05352407 2140995.63811436 225858.015677383 263049.124184773 302349.3977167 273523.498064407 277243.778792989 394138.148046039 421734.341701247 448512.073450062 409349.292714733 635433.695681869 841500.174342124 1319420.33132165 160558.169986703 319521.583392077 1032935.23946935 980910.505977814 263303.707935445 619787.478708734 631501.464569195 419235.456540486 277202.282104118 239518.69462599 987374.070036685 352398.736630398 433023.847862038 236199.605257944 516894.470241289 274869.347434441 186155.890586761 198642.825143918 698135.886146618 254588.511475722 187365.457070149 292682.385376749 769472.142065171 287542.839670604 425427.781384789 244710.878505467 Methylnicotinamide 103696.890125673 67774.1641514182 103904.345046541 216730.981545128 105905.94159059299 134696.462625103 54588.1215014215 100698.008684526 91194.0192157928 64255.2738097054 392718.16577156 673015.63477376 101033.74246405 55048.4079761042 118705.788923786 129855.030106089 139084.098356413 923287.655299725 103728.016151959 118111.254213514 110707.168338541 260811.701603103 164108.341055098 190697.828527266 192872.645754596 140839.42434404299 121162.649762357 163010.965764922 36102.6740888178 217364.58331518 123485.698892497 282428.835895472 62426.1560983815 198356.074649257 148988.112522322 249465.617916638 173685.351864924 104646.895488511 89659.3512833603 171683.664190445 113983.22368419 152434.746524885 197966.810068796 146705.434719507 100451.195383399 88766.5883944714 121425.001068637 130119.306768847 134488.094073057 69827.8900312846 106423.802121982 167565.313968028 99681.9648003609 196760.302517428 146853.749599167 39307.4364260208 Valine 13251846.6279441 13914022.3964231 1367320.0794516 1431186.23005411 4006532.81692921 10155532.4254265 2458686.47470642 2015893.45346924 22811025.3812449 12924051.9908888 9452946.60564366 11965780.6877012 1153550.75957215 707383.152692495 7697125.23818826 2827548.93243295 2625712.28031451 3445447.37894632 2518949.14600426 1961302.70690758 643892.527871554 804134.227015312 2621749.49629078 2720156.30708121 2579050.11189804 2376922.56724398 1527162.72423856 2136648.15724914 2231794.7563648 3174840.14378414 2139485.98107619 4784485.15545434 8089092.62773434 8400520.62013271 4396714.20700999 9273623.93616116 10578691.5372043 2832942.26382506 2526184.35528559 3251019.75111313 2225181.28362428 1538516.47227775 1908489.16655781 1290848.65724843 3723069.17499185 1471229.33302358 3433893.7549267 3307499.40971895 5083101.25481804 2552243.38324695 1110523.62418455 1519916.9767938 7582297.03738509 3157588.21481923 1480368.1922612 980421.423909267 Tyrosine 537172.057150604 424239.059338015 4076411.04532085 3581264.50014127 154389.746600906 316129.820743999 792892.59699921 597964.193102102 4679279.60192143 2873578.01571402 18087759.4698843 28123798.4615028 299551.395679833 82117.8178707004 304507.504247748 598702.611807681 422733.083051627 561819.356289585 8309494.91356732 6818208.52474629 88090.1585295407 71585.8730695112 3413356.64212539 4174368.7487483 886012.829214004 506872.755171467 2601885.2724856 1752168.44486116 247757.791970013 430941.29818298 4741369.39978308 5954009.7368521 1556065.34178234 1212697.71636575 1932883.64038629 3188781.58752267 337486.922805091 139076.476708099 6830886.55569691 4852765.09590563 299729.019707369 181843.69401398 3156230.94956287 2276215.0587917 340439.08256437 125841.006294188 4827217.31080491 4750611.13056211 216981.70626599 74784.6005193221 1590488.8734876 2117085.45722647 254945.175101435 103208.8533235 2229388.07227904 1421392.49136914 Xanthosine 1149.92933710456 890.211583942343 5324.34235845843 4616.01872469722 0 0 1124.61052784598 0 8759.6118977328 2285.62529070146 126751.138099245 129025.046588633 0 0 0 0 0 0 1682.7615030037 5175.43425063049 0 0 7025.7459993656 4648.39286447904 0 0 0 0 975.196854301 0 0 0 0 0 27891.3200370175 13369.4379479866 0 0 2272.53461740656 0 0 0 430122.346705252 163981.949431101 1169.27969609815 0 53401.7691579201 37703.7300237815 0 0 18814.6706753613 31486.291365623 0 0 31071.5487840866 20469.1725360271 Betaine 8698445.52927194 7569931.5553654 13386203.9872708 14595421.1836596 9592264.77184951 25602700.1237086 6449146.15396425 8322802.73637401 39502093.9963835 41945136.4437926 29905806.6880646 50576649.8955856 10250724.032677 4229739.39107626 10602183.2287885 11437534.7154347 16261855.8343074 23248029.1399001 10986963.7203908 9846977.64623901 4441973.06385523 7900790.00119436 8790120.02984305 9159956.60828275 11031749.3588513 16097576.747343 11517866.4804852 9972887.96295197 13020801.8852036 20388541.6460032 8086393.78370055 14219695.8363218 10005354.5236006 13970515.7776073 11069336.3502752 11175354.1061652 20120660.3312317 16098487.9804255 9176338.80889063 16829079.4711042 15383201.6901632 14701232.2206265 13102593.102001 9033199.79653286 12354171.2884524 11838298.0424535 7741669.62183039 8893596.67405426 24740825.2161214 26982114.8904471 11156139.4912171 11001129.773666801 47136929.2138488 27686057.0367796 13849893.5663375 11255239.8385653 1-Methylimidazole acetic acid 157747.629125392 127550.992776277 29864.7583081533 66095.4548173575 17733.3914370205 61535.7877721862 51309.1833704227 57483.0779187035 632349.520471213 1196270.65704188 392620.06255442 678284.470631042 18484.307689674 16049.6772872013 171567.145193773 24170.3987883642 119436.713341776 462238.56304838 57873.2282020297 94838.9675595699 11861.2966808938 15113.1987926248 23934.339398416 25988.5354556032 173587.338502408 67411.5542827517 56507.3498410268 86084.9918904196 38675.9509674508 64586.6784676308 27842.0178488739 70097.9931128984 364378.366517716 472410.726225686 131422.025912371 247982.939737196 68398.6659336399 52436.4939446037 56670.880140631 35180.0818157747 95461.7878031708 220450.997752395 96411.7034930666 65244.5190268832 176646.421086201 125519.084994246 16566.2832031295 17704.9572632785 23329.1399217168 6442.88868010963 22182.666217067 42173.8234143834 23987.6796756752 5979.483710574 48134.7083594887 22782.3165059791 Homocysteine 3351.47487882187 3727.88281522633 0 0 924.839236583358 5691.81896306645 6071.48418170523 0 280544.655813051 174383.826198879 0 8672.39162748092 0 6866.18954964037 0 0 1927.41749745455 0 5773.97450212677 0 0 0 0 0 10931.272562126 9902.54601840742 0 0 0 0 0 0 54032.0074647631 23158.0523841741 0 6711.86575797175 18544.7978783582 5707.4881883189 1219.70023262613 0 2860.60965397802 6238.0711122803305 0 0 6258.43102563385 2113.447803521 0 1031.63462392274 0 4661.76084111506 0 4768.43446583717 8073.8267214139 7157.26166620732 0 5625.3479708154 Urocanic acid 1577885.55137388 1326697.7570649 1490187.74933325 1308916.45158527 508517.984818647 1383521.10516252 1127334.45292448 669181.388659073 1061905.43807395 602003.378129367 1847149.76595718 1479716.00053752 4545717.90696732 623529.266934284 1903670.27068949 144545.477210935 568821.448500559 248055.828774993 929951.11760625 871848.739258055 518912.869444044 1371.21458577449 1564379.05862293 811996.651463386 1918831.20235992 745200.593335687 3432071.83615371 2223488.82426036 2168118.42021967 1122119.05968098 965998.041561366 7947.68003785079 4098840.1216881 1210900.56603492 864029.926189228 3072.19767805644 3031717.68680222 792483.854818121 686256.752694301 87769.9297501464 2035064.05558219 903506.547954884 1071107.34547846 451450.870103738 2672762.46856903 774311.874230468 1101677.11552516 1287689.65659376 852939.307631474 963349.908864712 1168518.45162515 578452.072374049 1378837.61192644 698667.923067226 1306498.97951021 992904.668609709 Cyclic AMP 24441.6360249531 19898.9570178725 133107.691071798 136700.276447911 4715.43613071151 18038.2126093051 35636.16121015 23258.8675069859 391178.562718539 194232.671307963 172121.796238271 305118.346775402 1527.40935086902 6221.07486692018 9567.63514041025 47550.0663985584 39685.3069237154 14578.5832599002 183039.112669562 165397.222639404 4027.43215902033 1501.34877265188 124344.926078424 155106.429878261 110685.380012285 92128.133802497 59585.0054593388 87316.5728691876 17982.033441284 33299.9550123512 181945.007136345 405862.98230284 131219.825824443 106434.261001664 127298.010607382 207141.089671468 25315.1640388598 17139.4281938904 124742.779577298 105517.49055761201 39160.2254595718 27939.2312312695 60213.6267447705 38246.6372943543 53982.4574466131 31424.0260339843 421914.764420051 475524.633069867 8678.38703875665 4083.91974707205 229537.22369606 386746.789940091 12158.729088943 4261.73693228069 329870.672615719 257676.238069979 Methionine 1211190.52741184 1408499.67306862 1716675.1044882 1572999.5623572 84771.1152670622 165465.641501822 72312.2596404038 95995.622258636 7819699.78023814 3005884.7688497 5970805.48352905 12886028.3157293 135355.063616591 45965.5871317733 152997.16134412 427349.882232134 1156292.9313751 1050847.83548521 2042576.37648334 1426913.30222375 116669.407263234 31385.190114855 1476540.64854657 879178.351076355 1520682.17170462 712761.54900609 1843755.43311224 2133460.36485201 594523.592107042 966117.408454895 558470.551540171 1367343.26962347 3062174.71422473 3677002.8994041 2352202.42898598 1854408.70111422 683531.998312065 356268.413767361 1152704.64807467 762236.238256587 983598.726999999 899120.191839347 1123345.78768435 697575.295838486 1372443.50239324 930545.895847081 507812.161337695 406744.821562667 142461.621665213 212674.097501477 832191.961016292 1085533.30397688 215392.257879306 68690.4479972279 1017947.3299402 768080.439867287 Pantothenate 114847.42238709 153005.867213333 1270433.26520672 1097895.84347746 23278.6339718548 130095.867103441 529404.439628694 1301886.3278865 454799.450195586 521635.528655347 20069067.7397576 43385338.8741592 36763.2232246665 49870.0888789157 64035.8431956736 96772.9598943535 156269.005784543 298079.605855555 563881.603656621 593554.28097828 33052.6934924989 40282.1011635217 1594786.30137579 391122.676657048 163552.855341413 175976.828116525 507510.063588874 494265.805793322 56062.6586281465 110000.040581186 704927.156083875 268954.112736949 219836.295662575 209102.453103658 366646.069983805 218627.004585568 399313.238842132 265979.77702922 533178.9039476 250946.562998433 128142.448182946 231985.202347097 176399.972670949 219563.481524523 96293.6981253825 85536.5853301601 746517.410712067 731075.715339737 43496.4736309397 51871.3660648998 63992.2443192287 109214.592553745 113082.58189137 68599.797230484 186509.808817067 88839.327397736 Isoleucine 1786299.04916647 2047015.16016932 1880381.39475778 2006308.53811097 997177.68982189 3249442.17072603 1454546.79150451 1786601.28605063 15430269.7458653 7722112.84580055 19297579.3312146 28684134.7607124 975157.261335116 621154.306232575 2802849.9208342 1020178.54731965 1187889.55556065 1212357.69507277 1728265.93761708 1305058.67988046 355363.390642337 436327.618406596 2433827.22715782 2077643.21902929 1870332.93649337 1265262.68723399 1652789.46146161 2158597.89231169 1107325.57182743 1547768.94321393 2009524.59535911 2780802.30666848 5991902.35521749 6386880.08343343 2507924.52401262 2881792.70731272 2644567.34612906 1383160.42363158 2080694.2802536 2050675.40968562 1208442.34202521 925224.769309557 1858598.22539049 1182608.89097806 3869611.69843219 2925786.12896882 2193727.26968041 1744948.88095558 1146912.32551915 958537.146936664 1197450.14398818 1727628.88267959 2093659.44428401 916860.397050724 1643314.22103364 1218284.45271639 Acetyl proline 119649.296058177 42049.0346056361 134667.947748377 84264.9784832305 60674.6405391375 371813.604502238 88468.3434554058 163049.537230515 150916.843224593 59219.9484445654 38306.7713060216 63420.3935439505 99055.3843310806 52034.6034512887 137712.518162099 87422.8709351008 69265.7988172083 116442.198495467 51135.1094258406 50824.3556649309 43352.3931006754 101862.20115854 193951.310572736 157165.772738872 76248.1579137026 153135.171301992 62442.757590927 144929.450847309 59018.3419266045 143112.268474155 67693.2639828821 146098.279770286 70780.9617340209 83080.447026017 42570.487328539 94747.3269591907 96373.9765583574 81526.0876102258 102072.198159295 225138.890473991 82762.8661561011 99371.210575419 93192.7176531481 156097.916362636 64400.5087464436 61737.0756219521 210883.091631192 279322.120141053 118477.543573738 73564.5538899399 124101.356105429 142940.906990805 129536.656073469 64673.809141175 136919.327021198 92146.7352115271 Leucine 1544218.30922836 1349687.87823315 1167516.0160749 1164089.77124014 1483791.90868109 7543533.54837108 217053.23332787 232494.216354163 9417625.97802022 4947565.28106819 20687102.3112246 29317718.3498903 1212593.19700312 698205.837832366 2155605.1098289 824700.007015574 682074.018977327 1454252.76807231 1333001.88231947 915920.963727928 405478.728248901 516673.086142308 2064156.62184133 2446241.81204356 1255771.33322205 1002072.06029351 1281103.04815478 1319542.49974931 2228633.44489701 2625485.66959976 1668374.28823082 3174367.07375206 2785709.44380377 1992995.72435327 2248582.60037408 4050135.24987406 2622153.91866344 1520349.14525134 1651159.86794135 2292211.53964223 1590729.04602245 907450.431620875 1346887.14944706 799963.894559914 1178194.84217723 469518.883380125 1640776.92949322 1340896.53711899 1691470.98440948 1349765.88536328 862256.17069632 1128167.8055202 3520162.65193505 1364224.1474713 1095838.72458728 894966.278977862 Pterin 359737.79014186 448978.15419015 1015474.09857973 2716734.21845466 15134.3548475836 194850.274320977 124809.489464447 157244.55323301 1151378.24591787 1265368.5645476 11782539.3473557 21656877.3105641 17430.6584334445 30565.58069873 127659.056712181 345734.334211938 173574.624173115 264523.506246298 490857.310394366 622537.700425958 18487.1669637659 31956.1521729382 590248.685965768 1294040.14054782 496757.057131798 427938.418525185 639933.507977783 1016599.58660267 38072.9860067464 159912.83577827 255722.034834972 445225.841303263 290503.718022285 588435.633889761 1750860.10635002 2041418.67133181 219691.405641654 121236.232152655 110772.643403557 57471.5962301064 128362.736374215 214875.277288852 176059.565030071 193219.427744932 112060.837072657 174901.266776131 190344.844011494 289343.307635065 17865.5437025302 31894.5565857997 49873.6544442652 125294.915462126 43127.281080105 19826.4877908032 77267.7380445814 78400.6669357349 Phenylalanine 1774962.19787887 1343316.0971737 3204551.79222675 2727657.88301115 1119562.5638741 4329010.01063961 1170561.02491725 1458934.79825847 9357158.6897633 5191110.37934982 18676345.8100431 29190215.8750051 1045179.61915299 666039.453647628 3108008.10546866 3546873.10763299 1725842.6685243 2167056.48080822 3243248.02243792 2749490.1501843 339169.365150919 584350.090496573 3505405.07904874 4256778.13717165 2692007.34217628 2014794.43483433 1916029.06144233 2365412.50675194 1378971.53571997 2426368.86782156 4027397.93145694 7633394.85977474 5039081.30018141 3917356.38850871 2795728.56285229 3181321.88583787 1331756.74499227 1050355.6871052 4082476.91870732 4134200.30580899 1062517.30584251 790172.240286626 3467117.40651502 2395039.01276674 1156894.9632689 717185.072327151 3680858.66701047 3358151.36887624 1616665.76246243 1442260.12074128 2499856.35045574 3350822.66661349 3123458.48129816 1526549.13646245 3505784.48380931 2359640.90862908 Guanine 67393.845023691 13614.4104837834 902802.131263332 697041.719497056 288787.36369064 735442.39853394 118718.685657674 395953.042145472 188320.404323753 87720.5741671239 4460392.65592755 4372770.62794204 51545.1494904804 41173.1414616031 103692.124155701 480550.832706401 50142.1122863798 40279.365928978 1002360.35475982 831767.912211181 30041.199987535 49591.6061078336 567149.842742246 927841.705074657 44512.0158675764 105300.591758564 2399930.57233966 4077874.17288704 122950.458038499 206404.750370492 1227259.69845733 3457949.06552158 196615.822950405 814098.684804913 881249.343931174 684756.636075065 842109.279276329 1589331.13425773 802254.905310644 986133.008555216 124672.772965886 62596.3323275153 3419112.94114314 2799486.95812427 163436.710041427 115912.65183757 297408.652956499 277110.417238353 99861.4381055735 51072.2722039009 1606168.75163076 2133011.15578484 196257.35774202 79402.6263696274 2126467.80166735 1399191.29800535 Tryptophan 261344.888584571 226958.899036609 239778.024580424 191865.713323991 55330.4961472404 271208.75803936 409406.34968252 188839.636692096 1842628.88426913 1063125.85160122 505273.313151726 746664.732324217 105169.456012803 41942.5661379392 306555.488401435 114542.878632819 170875.576510021 298244.540873073 170533.032765097 184355.875075329 50820.4024767134 27830.812982297 368036.323497285 321112.154196076 376651.044592128 218543.393306709 362546.926042564 308526.594235179 174679.845601176 238406.607628966 210163.072384109 443251.619547161 647534.977323647 479791.378244013 313749.634722027 295698.070311778 256990.848254915 94192.5284006196 405494.593304407 376359.972755226 136692.586881586 114157.70352218 485299.589993174 293140.799550204 248337.055409058 122608.381268614 1134502.91303835 842827.835397865 68583.0112557995 40432.3700221053 294373.64582833 419980.70313946 101808.009395611 41731.9614027991 414111.721311484 262128.98070554 Nicotinate 273438.129869188 302406.048122075 307025.940765774 525032.746630576 160030.383195312 614709.991716815 255201.229908973 433933.39225795 244731.99698065 445191.685863276 747120.008907878 1160698.49329894 256975.368197164 284183.325463736 523221.825116382 596278.761374583 263211.943734942 424051.99976653 434916.6921384 435482.291520679 93087.4271546551 355700.785534722 254383.300438603 491008.751711842 278195.616354739 542834.162911822 429604.865974434 954088.668558106 237430.29157407 544260.401270379 204609.185929877 453160.091632014 272983.377451027 528602.14968325 473452.357955021 401764.246851759 227237.25167375 407346.003546305 352170.792232706 551969.976676413 226430.142366615 411415.92324854 440844.608877478 540888.015137215 243090.085600792 308925.307985548 329982.477218586 393404.908248357 167341.182723017 273375.693414352 266129.514511747 534819.841213102 275206.182598499 303861.767966117 407975.152602328 421716.53375733 1 3-Dimethyluric acid 1988.10503326986 1282.58168956173 2033.08778625771 2038.13510971862 0 87833.6067087929 1770.36583893699 2770.06333941286 30353.0035909972 435879.18877224 5572.59236035904 81525.7092614178 7906.84510664049 10747.2049678872 0 3343.05775562329 1601.05985667347 0 0 0 0 15512.9427057659 2051.86898110888 5642.37395661399 2159.9362029703598 1419.24399582629 12177.7825321915 3324.29207157608 2948.29268168622 3556.5504545135 0 2793.23411023901 27781.1732759689 11977.7917607494 34198.3517598247 3518.78026574322 2048.82478498102 0 1837.93765490642 0 0 3252.98676521652 3230.92273245752 0 0 0 1278.61122036552 1230.80080267051 0 5064.64657567737 0 1573.49371932535 0 0 2029.52429608408 0 5-Aminoimidazole-4-carboxamide ribonucleoside (AICAr) 18776.8940986695 13867.4291411002 17086.8027367458 23631.6993703264 1502.3736570395 0 19660.8437399923 10105.6280167166 498434.648842745 334821.361058052 34574.9406225324 57921.6791043704 0 0 21997.799926108 12729.6327979836 7257.9527203535 43821.2140889121 6917.50633046523 23584.9064430045 0 0 8854.35760652345 3685.21667890465 15679.983811174 2199.01535265322 11269.9419600641 8336.73046657996 3042.90417598752 0 1258.93871087785 3208.0830944459 144573.488780321 49844.6007545776 94486.3152660822 31058.3730108953 2083.83508529845 0 9694.79597316477 3929.10989122955 3382.57858564017 6888.88131504756 32517.0346476619 10657.419821852 25694.2865094817 7188.55196306598 3212.74131839564 5051.02413450403 1619.07091693541 0 1548.4632227723 3072.28526840945 0 0 3983.82864140249 2399.76061232072 N-Acetyltyrosine 57742.4872010907 45797.6515528672 55056.1799008103 65548.9552759234 32718.5971155721 126253.525745048 29401.4624998386 53198.4438513039 55531.7949129712 56256.5027796484 40930.9538819417 63283.578062216 50218.5098038973 51030.217503816 86447.9084090046 116646.768954849 43047.9113429045 92193.4951371848 64989.7322400257 63598.6828297259 36898.8451495731 70092.9660006515 82062.655692694 72340.5628933421 88176.6662669756 87978.5612696772 50965.4065475671 114102.65513833 60350.2686072601 75140.2904002665 32388.5854182402 96775.1743396445 59738.5210775958 50430.5919086023 47712.4452869463 63499.2329778893 62343.5519547216 56564.4168134972 42548.2789651384 53334.8232366797 74385.3110299292 55856.4901629123 89221.2378974852 68399.0998132083 59617.1174030374 55421.6612636429 53571.7483605841 55315.4436486128 64945.9302746226 43314.9181500767 59648.3412265497 90289.5708940298 103008.201509176 62453.3200306401 52282.9348180738 43918.3908310468 Deoxyinosine 4123.46017627697 5696.26185307892 4543.9970477538 8322.72619817242 8264.43981764287 8972.1336290496 3670.19210663739 4278.60104897261 0 5716.41972070253 5272.32588159444 6438.38611581036 9867.9780636732 7842.98371481442 5974.67336670999 7475.79995752413 5226.22463397484 0 3258.60079846435 8681.15945361808 2064.8898241331 6357.1577388554 4977.57342927972 18055.945231536 9317.62328621345 14007.919973993 4809.9281775208 8024.81512658077 6810.25450450403 12552.2901419115 6047.95008159393 7789.57656130445 5147.15595089748 4475.67162006534 11857.6586314698 7374.74304569305 8209.32217524276 11197.3142605511 5020.94005085247 7508.28915241087 12138.2375982281 5646.14933313418 5638.00513196103 7334.99174860743 5064.61869812658 9241.98870927756 4614.3132657278 12082.5367213635 3765.94262725939 6505.87504142853 9055.08412397011 10461.0563811703 4499.34612768471 4208.63945339007 6458.3544139899 14944.8297687973 Hydroxyindoleacetic acid 24266.2157834425 27068.7724389606 25737.4688385778 27890.6090677336 16970.7431732903 51399.0138592969 19489.6898556597 29227.6704077647 27639.7954659541 19535.2768896888 22934.8840332736 43744.7579886894 21323.9246194902 18258.9403218462 40844.7974566361 55175.2363565249 23669.9134019776 54586.7572466612 22597.496779619 25784.3470170301 16534.5623520549 25214.034748187 27657.9127029414 33083.0971502043 27014.8142100979 45659.5239944504 28279.9499159575 49957.3682644545 21525.5524782207 40326.8702210281 18005.463580782 44112.3419543153 24986.7286042108 29024.9513630518 32988.3974810613 35372.4194460692 28389.7252797519 25070.9037876568 26921.6399721777 43399.8734979462 28616.0766200937 31106.6014122191 35336.2376892849 31126.3226853073 23854.3391537973 26208.7735524964 33331.2612997786 25044.6119938488 26715.1470550996 22210.3630012555 27877.3504184873 32297.7521686975 34277.7240553572 19502.6173241634 25911.363116882 26798.0266529813 5-Methylcytosine 8088.19783789468 6999.31090239666 24788.3189885382 70562.3000439414 4508.21217801641 21247.9781558339 13005.367068185 12900.1162948097 18482.6716077905 16692.2248869309 317139.274625277 474056.458442384 7806.64095816122 8787.64952268835 16227.1211177835 19100.1790345424 7750.71968087045 48660.9358276965 22512.654095581 22592.0199096321 9336.28553392836 12951.3429262829 22682.5824782402 36133.6325399797 9638.87450659394 13225.8002841354 236364.416302005 147221.309017599 10681.8025869686 9866.71328424307 23287.1647193454 28148.5975818041 8337.07304994754 14390.1482930667 165606.382877969 1051205.48905201 9223.29682102763 11804.0267972 22018.7156463264 24593.9794721687 8753.84295165408 13511.8778499505 23173.8730592178 16909.1204880206 10160.4510606577 11687.2575543309 8639.76412459338 7071.57927003472 7976.65512392265 10702.5338901792 11340.7774419549 17455.6528761968 12775.1363141211 7427.87835953106 18357.2194091481 14360.9786837816 Creatinine 358814.620058292 249099.980471316 341303.363522121 655341.92467904 322059.180126757 588725.851528346 261104.598627771 354983.585218719 291870.486868075 218135.304105903 583419.589035335 600682.870023867 439161.762845071 235056.255063253 658724.38321060606 546963.116557982 545373.053892683 2274535.73011711 625984.260998183 312058.084344346 1080063.33747793 783804.745009829 570873.074689553 546543.397189125 427669.679097987 350367.351598529 1056776.36384225 511308.439971879 233654.200101277 726536.199018605 446154.991993633 801398.809072993 347892.784442105 574798.089392121 685582.543178603 647559.624905248 719724.979589827 341244.657219445 241624.635762338 349967.301696582 430623.881586751 476537.45148835 531230.415509823 307335.324584861 547043.202336365 263720.114697575 439763.993941803 334255.47971133 499438.904556294 339548.104710354 398468.63111712 441214.551725003 390282.770336141 623870.867157221 472542.033964223 122909.746538571 Hypoxanthine 82832.6995052403 20419.6519855102 1891237.85065267 1823220.23824213 76257.1578224742 117724.964611617 32119.3659795108 104045.670084248 74833.7022466988 63445.576694211 62644062.0186057 91239028.07584 78678.7691032617 28046.5078045327 79685.3157283687 326429.349168417 28100.2649028984 97104.1041558174 1758857.73858663 1457542.34794694 17968.9913264486 50438.7453278127 1431772.25403251 2435089.46640729 27681.1989485717 79137.0987538047 2366819.65835869 2817222.02359355 35612.0431888664 157313.859640375 2910084.6311766002 4791738.83392141 77655.9247380256 1182778.84498221 385855.273094358 751902.866897812 44970.8511271429 30453.434391585 1742544.41289292 2219911.9998452 65782.5230738546 24499.3025444562 2667223.31626396 2320092.50208667 182858.845818566 46181.861606136 5277094.29999283 4391016.24381604 49162.6531980744 35986.8157433231 603410.119895142 792332.564772697 50696.9260843336 41649.5800320183 993440.51305743 689406.871670108 Acetyl-Methionine 8471.46579045325 1510.4051900464 7715.29801819059 5448.52903159797 0 0 5829.96519234614 0 34587.561927482 3781.74784642957 10330.7867498238 12582.7272107122 25294.7191542241 1743.82807628257 3660.57958586199 0 8832.21771830606 0 11129.4517189025 8724.86986395864 2201.08718922172 0 16648.1671005383 2343.97235439677 12178.1648063011 11008.1230578809 12756.9050834484 4259.92060933635 6194.67909679675 0 2587.65591614167 4205.35257518541 8193.63111473253 5209.05995925781 10126.6102379417 6379.66748392614 3561.03417857896 0 5637.78288570189 0 2297.1519848011 2704.94306978503 9854.2255519252 2464.52984561413 4742.57464524289 6489.6073361479 3962.13241372122 1663.998025703 2924.10462662068 0 12361.9506827549 2319.15880909222 46171.2401258368 0 2645.15922664381 3802.08369567643 Uridine 10994.3193353339 12853.7094162986 11593.792451214 21795.1644800682 3790.40122944301 25885.0705453789 21057.8546676918 10366.4535609447 14774.0304549718 15296.9679984248 13936.5194821299 24808.6492884428 7014.45602024008 6304.88882493944 14469.0960389751 35006.0993692353 12578.743619441 19445.7571707343 10535.0575322837 20900.6077397038 5169.5198602956 10303.8117002054 24352.6385339446 12244.1769673113 10043.1621043988 27281.8327237471 15604.6259372446 28267.5479666212 18440.9559439423 11674.4548905922 7449.59208914566 17981.6717448311 11301.6432452628 14335.4102096319 19054.3553329127 34317.7595587413 9228.27495557669 6315.24162807982 26737.7522451226 34641.4504916226 10642.4720293982 16534.6432497041 29816.2267925937 24361.2231516908 10404.4381243991 8272.34496022915 14830.241084863 23207.7613742319 9878.22195267208 15575.4348231221 5714.16678954086 18907.7199332218 19667.1196598728 8742.76915201065 11175.7685675466 44655.5237757668 Hydroxyphenyllactic acid 42396.5054225117 43158.2291541511 46159.6036919522 59723.7057732631 18564.5825450689 89518.2294186063 32148.7558013052 46037.7488488918 45105.1347608258 47113.2386536378 48120.2637159951 74849.8883485003 24341.0933628102 30624.311218296 79933.6238538844 95595.9302721927 40644.0622401132 24303.2377270172 47570.0170988186 50058.8419905875 16013.5586504315 31253.1066890914 43828.560067076 73441.0649123708 83226.2890387321 74988.5018569299 28573.1711181862 97258.0960118397 35549.1732336375 75376.2981126218 25017.2778796143 68024.2752034524 39572.6086094679 54524.4944323501 46606.9041768147 61464.4369224321 55759.3714654809 47395.6165987432 39109.8296927588 50814.8016463361 56378.332192164 44344.83433584 51563.5610031509 50839.924852112 41592.7861316988 54399.6599703787 52075.1597296511 47442.3615502713 35716.0183883691 30959.3063964478 41395.2913316311 66378.4374220302 53146.7213720035 33583.3810304853 67518.7843679995 32335.9556453007 Adenosine 104732.552517191 95076.0955358397 240748.952032178 439804.168443248 106693.988635567 237700.120184985 167128.22059512 348328.140866321 469993.17980022 358844.175047386 1864672.96260272 2080746.47876526 69025.5862732671 61101.0024820072 127652.286055573 178447.926941845 114012.229508986 272838.258594178 275115.35194405 249462.754928897 43862.890306413 56166.2689181078 217854.849796982 207629.41645499 108841.334761347 146335.692130026 420565.631896339 1112479.23415385 189365.083981117 286881.554198186 114281.959582182 534410.43138829 214261.731688179 433237.870526946 300424.3327791 549806.667860525 128711.147590157 117031.560714704 282503.939746907 338008.518875629 215867.15602236 120886.17152966 901994.902981287 524259.982615421 162600.683010516 166752.815611638 327015.024429778 179907.98411241 85500.8486316604 59994.4990233073 309184.599141207 501488.084784306 114136.652679209 81483.3740552521 306256.460309291 459138.38222081 Hydroxymandelic acid 76716.6349618881 73689.1199658003 71459.4230962388 108572.920199966 40551.5511490878 160147.190668502 66611.8259048544 91212.1903327764 140120.291330005 68387.4149223625 101015.980139414 124427.430297393 49466.850706041 59347.454573324 139962.797870453 166772.203626415 73120.2193329561 157720.349918591 73802.9908791114 86097.5832835178 41973.4668631945 71248.7147187652 82378.020997255 117804.75980982 98514.3130005387 105974.381824702 96371.9854727178 152603.287789992 75030.6102893175 123044.22557821 60418.8729043733 137787.597784848 68808.0986293876 92462.8774597191 95488.5006767169 120734.808660626 91137.1251755861 85331.351126352 82950.6340483496 119771.582188478 87588.4289759771 68630.0011892825 110880.500294377 82735.4689883029 69027.6110958945 74846.1141332129 89003.4688083243 81548.9796985835 69698.843051105 65820.615850013 81352.5954459267 123224.400157694 82684.6979348946 67760.5530003117 133775.80206805 44919.8667851861 Adenine 312718.963148107 249067.604694787 6665259.611105 7447593.53618097 324676.263020616 1127169.09532093 347769.208852579 428574.607569901 1125728.31348678 629020.127338522 35805382.5649312 34864484.5117712 891398.804410723 990899.190105847 601385.505507166 2429658.59883557 283256.180355948 1134612.47787209 6218526.69222556 4679427.55128456 211383.682359792 371624.612803571 5112685.05462099 5626346.25523025 596931.202854827 809551.57765863 7352157.39131802 13356971.1506677 477639.579335994 775029.489446358 6232199.9076792 16491219.3677406 768366.34100496 1063790.6779047 10443750.9475373 12881312.917974 777971.518212854 706836.71842193 7476456.90255319 11592510.7173909 643320.030122258 325909.167222026 11052104.1739591 6753246.93661546 1287056.49171097 857440.649638784 4510241.42888734 4166134.47780675 1076304.85653098 991380.288662185 4886822.54868583 7155492.22936389 1790840.53361037 1268819.89890693 5769500.82108831 5742601.3724641 Phenylethanolamine 9234424.63556699 12017161.2933067 10514425.4005512 15784932.9712233 5791530.5656398 18518791.2678714 7669796.44788735 14009434.1413187 13582405.6508094 10603509.0613669 14709770.6092785 19316825.8488972 10927829.2866584 10711509.0793602 24114198.1414603 27554311.713202 9359850.50332971 32265969.6147867 11395738.2414562 15572813.2765252 4539137.61178479 14142650.2599261 6798173.38251979 25413666.6636182 9457532.37143968 15972235.8899065 11783644.6889844 25246650.835785 6395748.61439068 17917784.3757052 7580057.01133627 21301552.1700086 7152782.92537877 12706197.3007994 13039174.6119045 22513820.8033101 9545738.07586912 17377393.0736462 11314597.4052935 27042291.8307237 7835108.45651676 11803023.8186961 9391491.11075051 15449670.3074709 7810839.0483864 14265094.7211661 10718050.9790088 12920804.9817492 5325050.68918837 12323760.8801518 9147136.02756871 15684804.4576857 9765922.07341702 14942919.2784024 14951497.2817492 15214149.0451751 Tryptamine 76224.029612733 52188.2548765392 110572.823483611 109375.01017519 57241.0865420048 129352.609721007 42872.7340067 90137.8542309783 61653.6852800813 74272.2756715999 50955.4859326266 49010.7142249662 72138.0957631191 48054.3222850066 166722.321978862 201603.254079042 101549.279989349 143102.919245413 120100.931709331 160173.300786636 41712.1395019917 55687.0710291327 158783.178199832 165383.362812745 67278.830443279 119207.476689218 102748.054344472 268067.00401786 64666.7533615413 128758.171503655 80013.6205645087 183431.998772524 73905.868764401 64277.2591134755 82658.9612230629 137850.609412402 77423.5080022297 84335.7736766262 122524.129444455 218821.17672503 67619.0064383316 94590.7831506843 173703.999142801 149925.059655498 69420.8941361393 112311.743355896 125424.44133796 205072.736948104 99743.3898317851 66176.3834088783 127023.898336068 155922.451362084 118510.92175373 70594.8529452259 121402.471179769 186609.074890463 Leucic acid 319979.794446349 190030.728184728 121856.530208875 201083.616073819 154760.380667954 455231.826716209 168526.920411613 224998.025001782 100057.025830022 313206.690729237 275077.033684564 386951.48348248 166653.89338622 201391.272605986 340764.154842258 369757.320524438 105863.88615272 1229339.49031066 140492.213843436 192986.292521691 54571.742882944 543832.821158493 154049.343577612 589594.931602419 107440.645384974 257801.928689751 292080.705535536 398824.249504986 180010.56822571 482304.226582873 115003.235827627 640129.573914602 184915.902442109 250776.962911917 343795.209921745 571884.412961023 140269.13792781 163251.59576715 146737.470735188 462496.793964177 168152.292985926 184739.082157068 205667.079495249 192097.240793151 125210.502523619 204385.10682062 190625.524283253 265037.759741383 132935.737719367 191291.200596048 135119.120216995 198471.987665591 142706.953523819 186115.487042385 292736.340050849 229837.001994863 Acetyl-Phenylalanine 81157.0741010337 69673.5010492104 95835.6873595109 101626.347990114 52641.58173724 173925.43996618 73820.5872803508 92914.4386971052 87080.8542449169 94305.7482184742 94102.7406066499 119053.14227243 88094.3755009829 72844.4020869972 161361.737023258 162565.551277772 94507.04335484 218655.588440682 99749.3576585734 87302.5270348012 52337.177100065 62528.6446195203 111197.084661523 118884.957604723 100897.278067418 127386.958871729 107033.644652221 213395.396647198 102876.648058351 156879.901496831 62227.821855091 163251.08949612 90073.3655250121 95344.5726908681 115088.043272521 117916.474059647 96600.7267180508 97900.4210989056 135740.357587482 114131.27161281 111731.101755725 84875.4681343638 140311.813853469 93849.7217631396 88732.7091657067 89834.1595378417 104368.253518887 87324.1983472245 99176.0317231258 70606.8598714374 93018.2343689217 117962.384790996 132317.58824302 85067.4041503249 125947.703293953 127387.210041701 2 2-dimethylsuccinic acid 31037.6056066991 6206.28593076424 9047.44436183701 9678.9253165159 10622.3949382902 19343.7944258795 8903.6165229918 9091.50495319974 12583.4889835693 10311.988547037 18177.1291462216 8997.30886428742 9354.5353193993 9578.2383502194 15201.1510963129 19388.7643766785 17691.3115657568 48991.3978233148 10220.2128253478 14060.0090358744 7235.49983212212 16843.3132398001 11437.3394073377 23750.9315285629 8262.19774239972 15613.272198651 15900.8167949781 28234.9760163332 15731.5077798341 45902.5040064894 8224.31316585291 24301.7946149243 14699.4099673676 23668.4375637184 18575.6933580281 9942.90610575779 15897.4018512851 24915.768000088 9808.60815449133 21643.9564224717 17305.5170472647 14517.4597644501 28049.4063163162 19868.9195654658 22192.930610381 16914.2721050342 22848.0139817128 13844.2950857069 30802.5008941251 20225.8670361878 22733.3941095774 4845.10274136177 20248.4743221289 14659.3514606449 8307.08653634238 11223.7820219816 Uracil 3435.31306291599 8864.89370037404 7920.68249959225 9995.61850207792 7022.1572061109 16361.1431370699 12364.0865231942 12398.3995487936 17854.2048454347 7143.01604717643 6639.42952959788 15746.3815317018 6691.07743317936 3172.83940354023 9182.35434945607 8952.35802796914 12070.0151476933 13383.4148422497 4263.24579323968 13936.419326735 6316.03134931227 8114.63650116501 9478.26107127583 9339.09345777039 5295.29355556104 14835.3613568821 8249.26598600186 18317.3751942489 11749.4235781407 15162.7623178462 9537.85855215021 12470.2390708657 11106.4906806468 4205.59767450684 4419.70653929415 13232.1447871884 12624.7039770886 14720.1014064207 12706.9564634835 19269.5331481834 4904.29731617844 6164.36080944587 9453.82414307574 7601.22768512259 8859.68893958489 7479.06690458281 10535.3551991172 9403.7105947416 10101.4231639933 5495.82348153993 8796.14001617583 9184.65100068693 10398.5449559202 12399.3056518944 5548.51924503197 15753.4776070004 Mandelic acid 136831.265951013 114857.079937016 142135.230223508 133110.713460232 97526.8347418918 235224.115626757 130686.711974973 144140.554106731 63883.1681011891 128924.817324072 113670.188546179 158364.154495481 128147.757899323 106404.964933485 268490.831588881 267260.980175384 143596.874321134 203991.318886351 154480.114057529 129930.518753025 87674.5910689611 129771.5834621 176372.145300635 180715.786126873 248197.226393848 221824.706571401 139881.749086997 263690.599770253 153768.948846289 224248.067810979 102057.518748186 206540.25752203 142746.505370825 178888.230243188 145211.013780812 154904.133815857 166109.869166523 197401.411086961 119586.871157072 201954.197171315 158246.390506808 183375.04800436 155226.124811055 128712.744975853 145549.689977836 149171.029742422 172800.684024296 137437.291488378 166948.342721237 122549.409846933 130140.92341995 172824.537465224 199663.123335648 166800.692991825 147925.721650746 106403.481517522 Hydroquinone 413970.501201838 397064.971143496 507569.695251307 547345.734564019 282734.785203927 770700.410089151 406083.374170852 500038.229476634 336239.673769445 483840.813536287 430272.815028928 606933.768257301 392704.394298158 321493.656596407 807433.373281937 966323.851605917 455450.475143382 586119.634213686 467938.330569885 481305.312054021 260014.712785177 354811.917608431 584782.952207931 628871.394430791 556493.972634087 649606.138466256 479301.564180278 805960.088277772 460770.156851208 724013.710960523 294373.918573496 692419.572860296 550852.741114215 569444.672727748 535951.556109525 674712.525905717 531069.156246217 519545.918746625 437461.583552823 580682.88798935 559275.107495122 548275.845747576 630672.669194657 498829.207718223 488622.301823963 505107.817282766 566287.330666778 505800.429711548 448244.089442028 394534.509101762 424867.475015347 643397.327180301 633047.577784964 402065.050769592 601825.359057865 462107.578612392 Phenylacetylglycine 41245.6081012418 42154.8616746714 47275.7419418481 56959.9653190321 29718.2898847329 87132.4876164992 42835.3653691607 51929.8113647924 44885.4082183317 46692.749350193 43960.3341376793 70366.6421210013 37290.5334401274 34054.2068748916 82108.5134420222 74366.1548116127 47550.6666643727 121096.192601246 48893.5309594565 43505.3489353581 26892.0239887407 56682.0975039997 66564.784393935 65634.8968048318 74964.0478581772 55308.6655930216 57133.3611669922 79000.7689261246 47078.2785487985 68290.657655472 34335.9379941862 74374.4559069029 54931.3620443998 45922.7214159283 46168.6070372853 79650.3300484516 53553.155089731 48508.3420254368 48984.3593027591 77354.7858822892 54968.0205450916 47202.3529655454 57316.1121893316 49820.2507699034 50733.0099726982 44599.0138138876 48514.8302329948 41701.2719002817 38295.8377145881 37424.4875467797 48256.5996302585 59843.5753254116 62566.6811229082 34316.515554381 56092.155303108 43063.0826896162 Deoxyadenosine 33206.5892366339 40712.0832496986 4854.13902581215 6234.78525129746 12001.1310910144 16078.8056236961 10381.8361688074 10936.7104726178 214838.887664887 189331.231498615 165321.626549454 48309.1916704336 9432.94450094787 6865.19992960765 3845.88510334629 8460.05419050823 53620.0638180426 146590.824997195 28718.6007182528 12926.0700997513 7552.33782985857 6932.33315176201 41040.5396147143 6766.39358287905 63054.582792131 67024.2608463552 17234.4205516444 27380.4689634201 29387.9341920996 42666.4038831012 6736.99151211966 23769.2039727239 107114.116833347 77732.044320986 27325.421621881 8124.75124831426 39545.3121091146 27564.0007184479 17863.3791996415 15612.2947218598 43696.6713787878 54525.9354980309 16688.027795964 11896.028302952 76678.8168291393 66688.6045418028 19836.2564887165 5804.24732853499 12915.6055964291 16666.0837958051 10960.576449922 10299.2065942441 22709.3276693097 22018.914947683 7286.23844800713 0 Phenyllactic acid 113809.644770914 108038.129305836 118890.999448578 126004.249239679 87973.1678394125 185732.043526074 87343.1015672635 123866.703066576 66395.5399068004 122441.252587625 122436.346706481 98117.8064630486 109332.60336449 97200.2934482924 219902.114654707 228559.577377841 111016.504163875 131473.261626215 116486.192845853 134407.579449984 62131.7117466565 103779.53250367 140148.67295107 184382.354290915 145415.722781959 184646.374503186 152864.735335176 209354.536354564 105878.174722951 189771.671071857 73570.4144926562 140346.638848851 134298.895438518 139151.790406465 129764.743136061 133750.965265223 138532.190263093 137928.793426397 87971.989508224 167079.98724261 159702.078912758 134383.837226169 145516.367734954 130500.878556281 116075.422621463 91445.8815763931 151323.688217399 121159.230865375 117868.92222339001 93942.7088965687 114648.835584484 165218.757481813 161085.172510192 117068.73038095 150758.517798219 100738.783417084 Thymidine 9076.74270388541 0 9822.71894682898 18360.8301367359 2128.72641643859 0 0 0 7636.66522067172 7650.85015092335 25908.0786144908 58152.7854320581 0 2886.77062655513 5049.28690118887 0 10112.389433719 0 1800.89495634445 0 0 2393.15555141743 11350.9662779983 12160.879541403 7880.11572951817 0 4725.6455801522 4027.93724653187 0 2910.33754363771 16688.7803671971 0 12198.2588745618 0 3911.94034632838 26390.8186759608 0 0 0 0 4253.90811202976 3429.68529384914 0 0 0 3431.28964186344 0 0 1913.43494049539 0 0 3181.4041116359 2766.24468935682 0 0 5016.96322999502 5- Methylthioadenosine 2208608.24099742 2777338.46411329 5403672.69701094 5030863.57132701 798779.252954639 1760951.34100563 2763297.69307841 1542391.31887351 8249678.96328634 10137015.9740036 126972950.258024 215132726.200493 678571.1932441 839940.551477182 810584.13764012 20367122.9262633 2720557.30298073 19087393.4829983 24655087.3464085 25683290.6238068 591723.328311727 468810.649850497 14802004.8558188 23321216.153432 3257451.36442753 2203804.47723727 10016857.5818006 9144952.45505751 1695199.00908006 2556487.66667228 11679870.9082237 24990662.3659248 5906674.87993062 4867373.73809576 5592054.45286454 25721373.9188509 1883868.62214023 1589410.22228229 17262711.600852 57257555.1631697 1923541.81734349 1730551.82125273 14854576.0895871 14375371.4759202 2391336.31887485 2405580.23375754 14157928.9035697 13098784.9607888 1032976.61842845 1303904.19435149 5623877.97966061 9671093.95631665 1465275.25819671 1133980.43552132 6807727.13384353 8870266.28107133 3-Phenylbutyric acid 399746.314479855 330208.770300237 419092.796123114 494881.679173493 204707.689793046 658285.026741416 356367.302236171 452735.450380389 250940.769371727 414840.265930158 494182.446220274 629819.154392286 311973.56318412 249770.974119179 693916.785483455 821537.639653642 382010.310406081 557037.868673181 425285.858544038 457422.180019713 168185.537258114 270331.604393971 494564.033926637 559093.531799815 599852.853171609 552862.928994477 423239.255454675 771940.99179081 396502.032810433 618325.805196889 248973.238307759 498545.402819101 420669.358569304 486936.185323586 466668.598187369 498094.176676827 441066.994160931 416777.698785645 350182.417167704 393877.775132803 435687.414427534 434953.599563674 544855.312958183 434523.922342269 418774.11834182 420561.083590014 459247.902314372 421019.28582146397 357024.975457602 280593.772347618 371701.557202674 534115.356198495 530401.989361615 297525.151493457 566984.378107472 328364.448981708 Dihydroxybenzeneacetic acid 57929.4156987888 42314.2729140165 51504.9602306621 57637.2108314589 28250.4961980098 78221.1559828922 44111.9048603159 52813.004261411 66954.3245926385 68879.5937937686 66611.9431693969 74067.4350501223 49441.6302779865 29793.8632393478 97281.7070517765 111905.617238951 43464.6091867616 117860.536053015 46374.8495191005 51415.2334571093 23294.5997974272 45789.7056250081 63443.1701615453 86909.8676293536 66220.0862244102 80539.7796277721 56565.4517965543 98051.0130018545 46324.5267779716 68372.9975091613 32225.1300583963 97762.0853167482 50984.5816686802 59736.8687037151 64173.1527414984 70200.3706253541 50207.0834672759 53730.625079979 59409.7311665718 93945.507883661 58880.5504756802 57572.9236398048 75135.9338165527 36830.7115432208 58817.7219129461 57071.2751348959 48880.1489631273 66418.4315883574 50602.0331989921 40446.9715901009 48156.5124716672 82729.7584521432 68600.6991335117 55051.628091659 66232.9113886259 24924.3934987374 Androstenedione 11003.1387466177 12458.2714298179 22869.2622607002 30356.9424290339 6962.23865906854 25377.3112009633 4118.72624516089 30523.6857691754 2590.78387705469 36241.1192211604 15832.0070576492 56649.4446859504 7729.94074293157 8295.44583235168 25640.7935555724 42875.0219189321 13107.2126771253 30324.4387949635 10207.6601932412 35237.7923063972 1065.4850767602 9678.00105869128 8690.15503136993 19066.9518077425 28631.677909493 15782.6811703756 8644.85588149928 67832.9074495435 13848.2841723181 26718.4663172978 1097.44237293521 23452.6153905499 19126.3255136376 42614.2258792326 17285.6667542327 91512.7949779229 8396.68574707907 16770.2270742554 13126.341543227 41480.8118427048 22185.6524982013 26707.6073443238 28350.1885144951 34537.9959761754 11914.7092220809 41309.0160284742 26997.032481301 15524.1523115268 10460.0345776464 33656.9486168666 8355.72011540658 24358.2946271205 14213.6285489132 15575.7483026384 19104.5150633031 21741.3656143749 11a-Hydroxyprogesterone 14005.6911851163 7304.36496891213 6389.90192747388 15396.0407524777 5322.70405774444 22619.7683308478 8913.15795547016 19127.1284793984 0 17956.1168955487 17165.1355994927 66201.2480136553 7632.90608705259 0 15883.1109022253 21725.5865295766 11455.8626822156 20997.2118644488 15631.1822791413 21892.313394205 5607.47484669505 9530.21876282038 16690.8660120388 13085.7238789623 9924.85394497582 8395.18848321291 13593.9804533308 20212.4958492185 12145.0535678847 21608.8301749015 5650.11598459098 14417.3288165674 15108.4265511407 32138.2424148677 10115.7116371283 50687.9499668617 15091.425531944 21931.0659272773 0 15335.6744104053 12400.6418935165 37283.3008540992 11111.8149848811 27025.1789890915 10686.1753073776 21685.1960857031 8673.19640235274 13707.3223461375 23874.6603378977 11961.9571283268 16390.226047082 13244.9238350373 17958.9572233211 36081.7332122498 0 4602.14653731708 Indole 325621.806670381 227579.515032107 264286.216108395 300452.994161816 183505.313999753 421109.590167619 223690.337415054 277613.696844934 132503.807257177 282037.287320756 371335.612108508 409440.910567863 233679.54488568 221992.702334606 528280.634045873 456693.841759336 286675.86099376 373833.837629432 245907.617756862 305106.975059482 161919.629003836 287889.178738287 341410.528727084 399832.371845378 370869.182885238 380824.244025784 313075.653492209 382576.250494164 254226.545295726 519275.720098103 193050.37155035 382520.148878016 287499.343631167 354527.915284635 408575.978712088 292897.886874166 301900.078846111 356476.975710697 279741.291718422 394779.396415012 319832.06305563 333507.525445 325650.525735412 290539.602004475 288314.05882176 354770.145468144 308816.793487734 279280.801638348 370252.958193101 256279.729729134 232729.945950387 313017.566559374 327010.633833202 320026.163700642 366102.376095304 280437.283753738 Tetrahydrocortisone 274847.308669081 253123.632196731 322144.972449373 341676.908711042 185445.780886826 473178.993038524 305546.420810937 347813.518537197 122517.798242515 266738.783738159 387835.443082387 491360.692615511 236179.288315639 191210.561418417 462134.755023398 542088.13269298 293285.860879385 500654.215075962 313616.713499174 344725.040725656 172697.516367996 243943.363134832 359811.750452735 437340.253966895 711826.261361015 337899.699855972 301079.77477463 543621.709058701 277623.920609403 503955.485576872 209599.823905361 461507.228281125 280399.720814063 349105.861199443 403051.826638793 425708.29670195 282732.059791719 467677.541475756 295884.135765317 387291.091991826 286441.69431775 351745.565126006 400113.869499425 317842.168046853 268203.594021046 324767.402136769 367639.498973898 326938.814477249 294484.713268216 247467.526383215 254593.141125815 394264.53755944 428372.585304278 310307.392696216 422423.711701328 209991.868668986 3-Cresotinic acid 102615.284337569 91376.0755999337 118122.780485101 122684.149296938 71863.8459680251 154527.613251567 73413.1389131113 132205.330273614 36807.274584056 115074.147486776 112000.534576516 143636.645378987 119877.731100211 83599.308454347 190640.99775809 184206.869093047 85803.4685903383 251386.864972205 104199.07901329 122548.209759111 77998.937818299 142007.435763954 137791.659875828 185428.392189433 140169.644656207 152214.363828077 128783.282385426 193400.845033428 80470.6924999166 185089.477268052 90459.1592642197 205927.034106791 112131.95856194 96508.6894092158 126443.251636946 174548.476916471 111764.227728276 162076.910840366 94917.123930186 221568.02169427 128220.580077211 168671.400161085 145140.080681954 153136.798986136 85832.7908143559 113145.208481362 117643.529539686 121652.38009397 123648.27991954 107982.405313138 88067.150782006 158164.794437755 181708.994727564 139195.232727659 125292.207777351 101506.32490103 Spermine 138298.962978825 74958.4816083653 129295.517873809 221584.868103967 130280.944997817 176417.365871668 131401.356586398 120822.996459319 39291.9518738503 147428.065757294 96991.4173042367 152831.197120842 105708.555837318 121451.187103937 115811.396619215 209062.822895273 99218.3385837325 435315.085794529 85456.9094017682 158157.325848153 134688.995661975 198770.396693444 114495.200081995 126670.026311976 62899.9863978785 204147.147537354 109887.424000525 197043.572709173 95439.5499411964 153611.692704018 137984.988184513 251463.215990694 146054.291456404 114637.466741601 147342.490486743 208093.439367042 136741.46326918 96698.260452354 148913.828273319 343998.92497185 172735.188790935 131263.127695638 176864.50337388 234070.709513735 104350.392339561 98437.9743111474 101236.812633207 147318.68964888 92685.9814126247 155520.550883294 75679.7530249362 140004.312478527 104877.27887506 165366.904767352 137771.162508108 687197.719377105 3-Phosphoglycerate 4348271.36168092 5134554.72787358 156855.972876208 217075.745304126 842681.606990174 2408899.24499093 5292640.88234819 3206613.72425142 17277393.6487982 11807553.8498927 662318.905213709 1436795.69590087 575222.862934441 1144647.93014084 1096511.88242727 4926290.38028393 5087824.35309117 7970930.54184799 4325394.65981528 2739766.90985706 858449.740761581 787444.70872364 476992.36876028 1498549.10057512 5280461.59747801 3777974.07246007 192588.734438616 331050.714641112 2387177.2955881 6744163.85861479 1578635.82004966 1860473.6828893 6993991.10302168 8922824.10378461 216923.616597936 383633.740095015 3974083.93057425 3433231.34614617 894559.40321342 2709610.84640164 3730991.93949419 4188051.12274059 292099.540825759 356996.859405331 8903652.87607042 9566266.50711513 4886604.68884967 4145460.00162239 1026388.86255811 982125.23526236 646239.128096011 619329.495117217 1239144.44656237 823408.137982602 649192.000072156 235475.873786847 3-Phosphoserine 128310.486745028 223350.315288983 2611.6889305335 6510.23114221576 42911.967129429 202259.185513072 6841.6963912112 20102.4859827636 4663539.60681517 1773660.19511556 15009.9177945311 28902.0751932904 43215.3465126368 137467.08993319 80929.0878832192 49627.5437327052 189283.067431271 372753.731550158 16032.2644070159 14045.9816262522 88037.491756555 51590.2956852483 5939.36202194958 18739.9601210234 197885.773741799 55717.0713374861 3966.82410900499 6662.05054460128 78904.6771470048 182111.795905906 15125.1671073024 13718.4751046058 195635.692866306 301813.025820348 16215.708051477 17406.8723810707 363494.821349569 193366.932460803 3340.63033839859 43568.6224409259 246056.007449699 316623.420640739 2761.34004333678 3731.79016579123 101145.718439843 170102.505898319 18485.231787063 19108.0354995386 45356.0526578553 63359.6385998266 4959.55427740296 4587.70023766436 52537.3925783933 56665.5811628889 2219.40150367152 2292.96967377246 6-Phosphogluconate 64008.2935171242 112822.044888662 682.619327516378 790.323108961035 39960.9749248104 72796.3329987825 1122.88217903476 5073.1144320136 185854.607969792 459089.842916747 0 0 14697.0350578311 22223.4659533498 12990.2020561241 1463.52150051196 155134.421906293 276988.124268218 1233.0998505101 1612.20382503357 23436.2715998458 10559.1320060181 0 5750.4634501785 237245.164330657 38440.9864948518 1299.39809259169 4447.59848340366 148918.997442381 182224.030992092 1748.37192283739 2071.04650587674 43604.371743262 66578.2698669653 1518.76384639105 2021.20267319989 98677.8211168441 52270.6708646872 1428.40370339798 36268.8208432379 48369.9574893652 79884.1864518593 2334.48730543511 2725.54096385942 46029.5246970424 58296.6458721359 1696.95687237984 1063.09927695462 30421.9967581092 30095.8075623886 1618.80495666933 1927.6089419112 19266.0580619469 28483.0818800705 0 0 CDP 188638.82712709 272540.47988862 74663.326181123 120786.79181839 163179.681558322 349758.354491964 133180.569361488 220404.506248219 424734.192809673 345231.762200741 92628.7358449934 245621.570787539 76612.3427412229 132849.032949579 89265.9723375751 222377.877887382 102994.089329259 343154.148489425 89829.1047250405 68287.085060432 58372.7166077091 40109.9983640081 117554.492239354 234834.037686168 313763.707385035 166031.546974801 30596.3209374862 60233.8773214531 155645.693235962 277044.666976536 182231.032814536 218878.125820119 348484.34124186 584734.595381778 148383.144909689 197271.654464126 232511.847461824 160835.103121817 52048.801985699 110809.453452081 159766.722427178 267144.850510283 56734.2173174356 38215.1069674341 307599.24103187 404979.682633986 190521.282510561 319030.647599129 94734.8907569838 121208.912947764 46033.1413853573 43581.3680172668 111852.590323768 124017.353197805 50961.7644173898 38005.4855921946 Citrulline 1639640.59286179 1996224.68813178 61678.6521497587 55656.0935091871 97242.5941588989 907054.118855501 137807.390697128 90742.1420524193 11123715.8842075 8717077.70871151 270663.856537394 195809.071854963 282448.535054724 179316.866945288 1254625.80901429 163313.570357162 740697.878406496 1902334.7417616 53169.6723528931 80905.652512898 239124.07034302 126620.80373802 87451.9059274637 93253.6958868423 1237607.87714056 397763.972704039 206163.287981688 143281.042890643 1552166.23190959 2000720.63053233 41597.065391944 86435.6612938484 8423928.83591631 4701779.94078599 109358.246796116 109632.94677583 2086171.32642167 1651968.49931156 48743.1649120552 67171.7418894936 426835.124463623 616509.458669728 163300.940016357 102037.640905329 3691856.27152501 2635671.62873205 50764.9716535802 53331.783356234 290209.441545447 284769.08108966 60496.7963882586 54343.8578299553 576320.496582218 326091.865099712 46478.8680241395 19057.6493317446 Cytosine 68298.874366976 32907.2313109961 96087.2869654349 125994.542930642 217363.590176194 539580.350801686 240366.851522325 334555.794587018 390956.923006944 226959.939345186 703545.408771735 958619.135994706 38558.8574742597 38761.5844151198 178722.968481269 415404.047712773 76038.8759351941 93703.3645999236 242850.110582036 167006.187993594 26422.3994218853 39157.2853671188 118406.636893447 135039.255390173 93332.5667825939 101115.261033895 190575.407325985 489838.517051689 139048.820458247 185950.213719109 95114.4822312532 316567.265463895 265125.686595592 373661.391867258 542542.456371175 369235.949452422 358345.297967859 770376.577391751 171323.414137239 318245.567379808 123259.307976646 63992.4158839675 500601.242803473 157036.629950635 245300.533522019 157107.869846385 265025.286901242 237532.46809036 69006.9064557028 38559.4782693231 191631.849844585 322813.263421076 119319.125821079 48753.3747961476 255641.382848621 203458.793263087 D-sedoheptulose-1 7-phosphate 72947.0357377407 31934.7130779553 0 0 24151.5693879218 78244.8656269914 32959.0672816321 27728.1919880112 11501.5639954298 38788.1704737569 0 4613.19749637121 13447.1106434496 10887.9857662062 63922.3269248534 0 58032.6414772823 228582.175461771 8452.81441916032 3894.83373711832 24233.9279273476 9429.41312410894 3252.03219597684 2973.21812429912 53446.5320004462 96442.8270467247 0 0 57569.7396121149 99459.9721157481 3128.95656510469 24775.1600582668 63330.0285342455 49032.0371817124 0 8104.45446284584 57646.8668606888 76680.9928031579 9471.0091986193 5114.27688610972 56622.7739938527 82631.2892872752 4429.06827348965 5899.23103922717 41351.8428187526 44125.0269288178 10729.9664300785 26942.4465243151 62406.4937119411 57392.1165813247 3909.88171348444 7545.99072174464 72377.5570735694 64151.9562632797 0 0 Dihydroorotate 125262.421125128 72996.8756214965 891.386971398278 2441.45303655145 13394.0755101057 60603.6837796799 1553.80136529052 2230.80130396267 247855.617026711 356321.770403632 0 0 417866.024877114 588590.721880642 38511.7483731101 4989.41748929415 34333.8120585231 169145.1151809 3382.45800815729 1260.69554768986 81783.5830265257 29246.2153142091 20359.7929024168 15171.7105873264 306677.858322813 31172.4419807644 10577.4759017167 5231.17563555416 89491.0562660806 42844.8207334087 977.212704132352 4102.16734072218 218383.343687693 108800.23604945 5509.3093984111 0 37224.5470518497 21360.321230834 1316.65867649023 3570.4400644079 44849.0198250371 65691.5553207906 2847.62475984668 1570.9407876263 86773.2717631806 79163.1447637216 5465.06762850274 1553.33041272743 6492.69174495458 4676.75759381004 4285.24531119785 2182.13110136849 11155.8310102809 4757.92910723879 2298.5651850428 869.393597888238 GDP 126662.395112634 252308.909748862 43046.499544988 90101.3983750626 122236.537644181 249184.786581381 39590.2207980231 48175.2336105506 277608.034115742 171215.867764037 71843.6621673527 158586.499185613 53634.3871650581 118352.089090162 72331.3302833114 63796.0930347682 110124.179291877 425555.209672707 94852.322077404 61951.267343804 64950.4781988934 42939.8134142437 49680.5639002842 191366.440963473 275377.461786467 83779.9006352935 87402.6624484616 149215.320345806 128797.189880441 252868.222298201 65398.0790117926 114409.927076743 204702.842070375 303349.318070623 98467.8770938303 45924.0158863542 225989.149943499 103581.299269055 70371.9499564333 403203.586367378 135804.3267144 201656.489074386 95669.4510187137 97759.5427736818 246791.7583491 265381.760185463 49744.0126630319 78589.4415007729 64342.8302560143 83954.5169487799 62655.5203563538 49231.6400247963 56269.1374560891 70634.0686374223 66111.0274003279 47357.8096823221 Guanidinoacetate 5401.11860911869 10241.0753975672 3992.71835581253 0 7031.32334405333 0 0 3368.71839122218 9075.41482055156 5463.57950930161 0 0 27251.6512160764 3562.42635523582 0 0 11433.3914100399 0 22325.5459485155 0 6110.3173197158 5235.62566026862 5843.70397626736 4649.47125406514 15374.3442637618 4283.18927888381 245169.444873555 9105.07898372203 4110.31803103933 4734.80443276752 82790.3263344243 10164.4906799779 45087.7251256734 0 89509.8178836599 0 18597.7002304833 2666.01051903465 29732.9304189958 0 11622.7074280584 3981.1767113714 36770.2342318446 1235.34296968132 98810.2636734577 0 23941.9846971085 10359.7539272273 19368.1622123262 0 65164.6788900758 6787.64425290009 16683.5978971688 27131.3482289441 46848.917971332 0 IMP 1876626.3122946 1846248.29398629 736096.848265362 537183.482052598 132500.31684243 801947.025665651 2491.18988926219 7222.87023600691 3129000.36979504 1753085.06698212 0 0 81832.3389556836 152955.848626198 636979.519293276 21971.4325850917 1092108.20008795 1231255.44473353 3351.4232067377 2710.93110026828 257374.517264895 227813.501315702 2707.28459365889 20321.369431333 675251.386833065 83529.5819477488 0 0 380346.633388603 517627.968479643 5823.33253148372 5107.08757590146 1745389.62714798 1617244.67286613 0 4047.48287447823 1298925.88745648 338490.994413606 5847.83149044962 9297.58198009225 908736.353272407 776254.97239997 0 0 2817872.71702581 1800105.66701489 6086.47795307986 6182.18686924025 46763.7171020361 29512.7581366664 9728.81204281122 0 55978.8050260495 28229.3876104446 7803.0736353844 1770.08721958839 Guanosine 5996.37509387678 95768.5251386496 3953.8240413128 82619.8946643423 7939.57623578849 85935.2681191221 86811.1252735757 81954.9433296514 30887.4185888727 108682.032099517 170391.012191944 149163.620285181 5101.52795897841 96622.962838705 74470.1477402659 48716.9821437325 6233.17331167529 56309.954504601 80481.204562187 86716.3995962639 2439.48195075784 87827.1713763551 82726.3028907411 82584.1202147768 82976.2242670454 86196.1311209818 88960.6490050044 122951.255712773 91653.3999384028 89676.4840599651 83393.5609095541 75250.5854135438 97025.2450312856 96869.7605792113 104025.544269976 97982.7651659423 85986.0541872811 91134.7776024859 85015.3949199382 13012.5320832214 73743.6224086179 82856.4554717947 134234.423392016 16019.0872091331 88341.2752040699 95377.3123711235 87540.9627198892 6494.98950322548 5274.10998373719 95679.474719821 8588.11805929387 87576.866620894 84349.6044687911 98180.7337804613 86663.8620426885 91050.227000528 Inosine 10122.3717471795 4522.19718606134 1855.11415335989 5111.89905112271 1183.98958648925 5544.32711226588 0 0 44924.7489188687 9486.01810242841 221618.769869292 106454.845017908 1812.65615640853 0 12448.7143561445 0 9372.64978237112 0 0 0 1426.56885153171 2827.46096942681 1991.33171667683 2749.17451816843 0 3989.84050831815 6390.41061940881 6927.45760391414 11722.4047426108 4707.63449448699 1890.10842948211 0 12068.3516836276 32859.5254887568 8144.03661829903 0 4106.84923139122 3518.34527219377 3633.42446404473 0 6528.87113414887 7554.31385041197 1879.86582711654 4248.72062336605 25658.735500194 14702.4149890777 6699.60823998577 6020.89668949161 5263.18655167425 0 1269.38547378696 0 3632.93336895612 0 0 0 L-Octanoylcarnitine 1118660.98379105 976325.206417466 1316795.14344212 1271971.58235406 692801.096044099 1751671.60882799 1024989.3704879 1219405.67240745 1357412.51577502 913532.544557623 1843349.05111874 1969989.60273942 1020924.71942623 787622.230821263 2602289.67024081 2434180.29029599 942268.294352738 2380853.70075175 1198162.16368056 2051293.05739019 621631.688273084 1161566.53644687 1504043.68260296 2211933.89776152 1407288.93528767 1585997.3318868 1250591.57593628 2265525.0848432 762558.11326813 1394137.39874747 920442.725774648 1637249.63778237 994091.671671948 1336481.24926565 2340679.34977808 2721694.98192226 927150.476647946 1137463.88045562 1345064.9883069 1736942.565651 1227327.31203106 1201439.26850172 2037562.96887341 1728020.207871 991518.273001909 928901.24818283 1352051.25292074 1255457.41827622 894142.475029573 965895.942021737 738204.924675608 2099971.98531379 1135671.07430219 995012.668016986 1822871.77995983 874448.146108376 L-Palmitoylcarnitine 326678.970858311 169179.038542268 207442.545123753 228872.932486345 160624.187886894 20151647.6602247 343995.844581517 1912638.65548022 591067.668413591 360552.507609421 174076.271316192 915823.280095315 212304.501846342 130224.031519007 249902.526393162 214545.006415331 308838.809435718 531335.088137135 189553.219932165 210108.919856218 85567.8490529459 151589.039462646 257736.618197835 208697.577679259 2011019.13031561 298864.619138173 212085.357111713 303973.291108775 289499.556368355 670344.782468003 117914.749442312 152411.969464437 478251.817472251 587082.289779308 176918.320748605 298290.341635082 347317.337095744 512617.76038711 164474.476575934 279959.377162153 389780.233680132 622231.735036937 217236.265338688 200940.802061288 306532.337893767 541277.764732232 165434.866554343 202396.31296166 665478.685541999 194076.330629148 190932.800861701 244818.643441797 274957.599118667 429458.547375719 138059.054842318 176387.901008045 Mannose-6-phosphate 243962.626634866 317236.295360835 8284.60149265725 16167.909221723 610016.872873442 2653014.55550795 99964.5305472437 254892.343945731 1186437.99841131 1318404.28093379 10194.4468227714 9460.65997447893 86749.291023733 111296.313817619 189874.823155932 43635.9144412074 441806.390046753 1180655.32003007 6865.86295757252 5692.78444096915 62438.0195496442 52998.2909093924 7429.90319298563 12634.7500683139 841388.160834808 1022512.13250613 1918.18888493856 3257.87055166947 187070.703460281 443401.952036108 1375.02983990672 2377.36744848193 448733.274347494 633906.334123679 0 2227.47558553102 287580.633875292 245073.794547802 1649.73758657568 6429.60844576233 391885.79949124 585893.464785248 2576.06618246123 2469.73047491052 234346.957097909 319927.800740848 9315.14642247238 20142.5290086024 143745.551414213 185573.982486378 5783.5144424055 2001.11178792959 232975.463938419 189005.868268857 0 1400.04088281574 N-acetyl-glutamine 21607.8444554206 21899993.4251837 15942.9482697612 95170.3510755834 19097.7086075626 9651661.74471423 13201017.7320154 11907289.3958536 121449.302586995 27020917.4992711 69794.0112722911 90016.1936673855 21691.6761029549 2999438.62232563 3281889.40783894 1157462.11132106 23211.515703678 34338401.4183422 151464.50996183 172438.937539481 14750.2354661787 3809476.64958143 720228.190835353 583201.595459387 22922264.0953227 12651542.1013042 232601.415839383 140370.038644566 7411526.7488334 13050186.1778925 378935.709543472 363890.380089039 22202392.6357611 26803385.8982954 179711.563544485 383743.686569154 13375006.868717 16914498.3067684 279704.320315468 19767.4694956623 10082345.1810703 15082314.1537029 189833.536166156 33401.0900340368 18139094.3731953 25467095.0410497 1591177.87384571 22844.6745030761 21381.302131794 10153690.2334248 16760.2762116716 408649.576356718 11676376.9575678 10483644.6635494 187143.696406555 370882.852419014 O-Butanoylcarnitine 2102456.00525958 1962759.59158648 2392374.21734932 2823967.69512004 947271.252039297 4146053.98564155 1813946.86449213 2609106.94718721 3947185.01363035 2459273.7845529 2473951.42952708 3436386.51902658 1696185.39647055 1304108.54144393 3992534.48249968 4437599.12724399 2048256.86516742 3143556.95284081 2337538.07999502 2685815.95372917 748892.559745282 1567972.72318904 2511970.47778628 3458450.68371025 3466635.18513845 3142530.753191 2404314.29039452 4470892.2740019 2016699.84493026 3283546.52731929 1479079.24293649 3550796.22259128 2261750.12662907 2738174.42198646 2692678.43382836 3507475.10283261 2153161.62736427 2505895.65903048 2261598.48036886 2935967.78303724 2184096.20692616 2459685.03534825 3298016.77489713 2715571.4784431 2035357.10790689 2222864.24819469 2530388.83278383 2309405.09093939 1978890.92442567 1656028.96092361 1838952.77698943 3351312.22682905 2706491.63702664 1748869.2609698 3054440.77614291 1857003.73954212 O-Decanoyl-L-carnitine 225807.124593417 155025.370188534 206992.873810434 202269.719808181 124883.963615367 140070.48146766 167770.976944804 219320.095591377 414225.368545712 200691.676355427 265371.313544812 299186.349826364 136686.777502729 153219.832219482 302924.261006676 343177.576016343 151698.495310767 465354.347578496 171760.530803465 258278.337760693 107883.456723578 179562.56671971 215142.357067475 270981.743754888 831194.311770122 245813.518399115 222515.234182473 321253.709335603 194592.851668424 282049.123362951 124951.344096102 253134.424256229 202497.685858058 217342.22958659 283440.016148058 330732.427671848 203845.255362126 256052.550072754 201501.297072211 440728.411166513 228030.182852334 298732.74727482 290446.957098424 249506.40706068 183842.692606845 288051.923382609 203498.303771266 173983.020781706 229045.430907869 165664.526666172 158092.01784967 247214.34272957 225907.156543939 246956.004897109 222963.331657364 139889.479023207 O-Propanoylcarnitine 9963062.16804959 8779239.80058702 11319856.7405066 14000470.5310698 4118793.92491652 19405484.9453278 8479205.08299051 12187910.6597682 15743897.5997356 11706129.9640222 13249542.6786114 18490235.1037481 7581378.11756713 6144096.14587943 19454742.5717816 22410305.5173161 9500506.03847332 13450736.4475246 11445626.3798777 13184381.090602 3046772.61973007 6985621.5943767 11434884.5612837 16337106.6059431 15046287.1532292 14649937.2076724 11589696.3886504 22650817.6562079 9196310.15800079 15792667.7321613 6306253.05569853 15069059.5147522 10320228.3957985 12149313.5499136 13427286.7432479 15737692.9970595 9594222.87094526 11868170.1326315 10425297.6836303 12168784.8949657 9537008.49808366 11211265.0026199 15293409.2518815 11854823.5960918 9065839.13719142 10533289.9285217 11402909.801678 11581252.3574772 8203924.87803409 7786137.1794105 8227242.14254183 16077170.2585593 12222971.9575184 7884970.64225336 14741818.8299168 8699584.42521882 Phosphoenolpyruvate 844245.933828673 1003914.08099684 253881.030693887 242565.687715836 70876.5294923629 209588.41161578 4411639.93564254 2443966.9788339 5068187.8737362 1868903.84724122 2219762.85461451 3074485.12654415 130450.578721335 175261.893962081 334303.858032157 3513418.80868516 915043.409438479 1304349.18366091 3321311.75163246 1989561.7197901 109549.952863114 105646.858374295 358603.345899306 649995.445177379 956188.141906959 1858597.68390277 225496.867628813 325498.122289618 326608.845718199 649468.613749962 1040290.13936895 1279602.76398215 1010216.76646943 1194205.0823304 128161.819989333 204893.54385684 646942.331072603 491338.505927353 665717.872344568 633966.826016138 908358.909771785 908109.833414061 274968.610784747 166992.581636297 1340611.95657728 1239862.58668577 3108209.74438502 2661891.88419308 98861.462560326 79259.1958070393 487078.179112563 663341.862904176 194837.787311554 58460.9920620322 752832.166701804 158151.41595809 Ribulose-5-phosphate 69444.1788908464 62941.9109191762 1288.54292412668 973.685589466363 15870.0390125882 63897.8199301941 7092.25172481158 13234.2557037414 171935.726953925 133506.488630766 4341.98560455545 0 9281.47889138707 24028.4937001711 34400.6538609907 9257.96295879776 89902.4887005426 146813.698156801 0 1584.26530446592 22462.0429444941 15330.1640748135 1740.01477936654 2341.64129003893 89446.250603412 40715.8064915193 1327.18771166279 4293.12402664983 61195.5082596944 100215.252131208 939.618140980553 0 171353.401582127 166124.748220848 0 0 94006.4565862776 75149.7315717106 0 2862.10343234626 71260.2333750562 85288.3855128681 4163.29485035772 1597.0890679491 62985.0276579006 57030.9573754187 2039.5076664656401 2606.28825984731 22814.6288454225 18961.4786569452 922.248176936677 1261.31552243354 31574.8350428531 23977.3835582924 1454.40035739978 0 UDP 488185.112204032 425388.128927387 175124.680612822 208768.690185908 309312.190307111 1101265.17302284 437694.029483595 466041.555623973 2539633.76875439 3537829.23419927 81287.2897521938 90198.6812776285 168526.054695865 311797.82983022 267847.999585018 33360.1066714229 864123.628593973 1848857.54063323 26967.0626808654 20024.4403474926 159263.05756929 110015.387607218 19138.8166502848 26417.9523673537 1227568.45071751 920511.379750614 2528.9745189683 7260.37289382853 443359.172837215 716171.877445181 4431.30754053793 10248.7580156958 1553469.21217455 1548419.7054173 8564.08050681577 19407.5650392766 998489.878841033 645188.654481239 6647.41473219829 11488.2512754314 713044.33821738 749160.421995016 9699.66455947278 2962.32682517291 876406.479054067 767235.078261155 26653.6059973672 33533.3863028077 336427.57402977103 238970.923617998 12862.9815242169 7592.13521274508 499763.438731828 331529.930712045 9837.96636056512 2797.54994940744 Xylose-5-phosphate 18662.1252353677 37129.5468480328 1507.29129912608 2137.98175985529 10434.8277608871 35029.8943779796 0 11050.3518439913 37628.3213195788 42866.2957230692 5152.4751432789 0 4808.73008199453 11503.5000319079 14030.2078769691 6885.7830182085 36413.7985225435 82247.2994217737 0 0 11139.1133321088 14807.7530591441 1992.1412209378 1692.1893314273 37551.8855140497 15843.3294234286 2356.69477186064 4209.3591914636 31311.4582031782 87551.7644516701 1264.53591630988 0 69189.4904047713 113016.77756365 2074.52580063117 0 33509.1993000641 37252.7474965869 0 4208.43440696874 29685.4228268462 48253.5423677666 4160.16743033552 0 22767.7353386731 26746.7902018576 1996.43413018231 3345.77527201703 10570.7913917455 12701.9151455907 1309.54774760933 3673.64806090417 13963.5062796098 18308.1300735942 1932.38670114115 0 PosIS_Alanine-2H4-15N 46130436.2227312 30310244.9667256 41517382.4280558 43274344.317059 52382422.3566563 27926704.3945154 40707166.6118716 41027473.4777434 16667.2598757862 29269555.4927372 41180795.3070963 42179389.3132139 46197256.344688 54305107.3089885 49860915.7034759 56491228.4734547 43299633.4773012 84603457.9328972 40144155.8433322 43421227.4186748 54451973.569618 57292665.0974231 43815617.7519639 42176465.9247513 39379752.6584758 42222165.7015606 41258498.565208 43808577.0551722 43363270.6893335 45555453.6970922 46525721.9498207 50059969.3991027 15307268.6983423 42158204.8607315 41279292.7453208 31033020.020301 42117638.8989256 49014190.0199389 41981433.5732894 22147965.6872555 41256648.2293606 46016638.1034302 14475781.3726933 44938531.3186564 41006095.5565515 44611421.1632892 39421746.6176874 30672095.6382651 48435062.7405382 52607842.4036327 42515269.2264793 41480901.0649479 45693519.2201532 58323913.3257878 43346959.5256442 64400703.8498705 PosIS_Glutamine-2H5-15N2 51674034.9307282 60288986.8805341 55182475.525922 60525000.4456986 60423753.2593964 58317813.9562726 48684239.802382 56700989.8202157 67899768.1835137 47395181.5653075 50878908.9158044 53935546.9852883 61916449.0018674 63894497.9911015 54827854.1766828 56623959.5149836 55912146.5832321 69963606.7526272 54847255.7998839 54480995.3984545 59027086.4502666 72276530.3905284 55888267.8069893 58178172.673051 51914242.3891685 57149218.6859167 55933741.512968 57963057.2828048 56378163.3952975 62481511.8077908 56990467.5447779 63045989.2597774 56045862.5848982 55099341.5660074 55292073.4736466 62841896.9924646 56166849.4038415 60914017.004937 50076521.0530901 64222503.7186012 58833169.4459175 64030247.7052117 55328564.5939928 57761352.8834808 52523347.234172 58065127.5094587 54547705.5631443 55052069.2779038 61070599.2430574 65321886.6796124 53705807.4217021 56832093.8289953 63896358.6561631 62199838.8897761 56994270.2580688 61043080.4923232 PosIS_Inosine-15N4 3149675.27624372 2899937.17096604 2770228.0629057 2507255.53074147 2849544.39257221 3033315.36638435 2485922.96329011 2435734.30041164 3240623.10650874 3054713.44817827 2559256.10095896 2666207.32615218 2876762.47967321 3079146.6370309 3098378.62152125 1619406.55056773 2868342.28605062 1753069.88281956 2378928.23128906 2574636.43165177 2939409.66113237 3026583.03880363 2702425.61748038 2910395.12289364 2334585.38717592 2944862.94010037 2498343.61495233 2664932.56022992 2710981.17853441 2933285.00513022 2742538.01098343 2525538.79194038 3301642.03641473 2810244.65809486 2366078.37701895 2855794.03106119 2292062.32855121 2651380.16202723 3012967.57070424 4162561.04398101 2288062.3934569 2732781.76277951 3160226.1427231 2836536.60406638 2563866.19636998 2309639.32223651 2635272.20001803 3261549.17475632 2872407.71884071 2973937.88291224 2360042.17852223 2434836.82530712 2828771.80767181 3092144.54196418 2542647.78255564 2547045.23234442 PosIS_Lysine-2H8 1803935.39799675 2579822.51419564 2375111.85178429 2525376.00772285 1459559.12339771 2670021.09302191 2985977.48309515 2886129.38870197 2611942.73789415 3019423.9855175 2490890.32341133 2422827.17199394 1391260.91281373 1289809.51179284 1522774.55761571 2159429.64436399 2018561.46502174 922217.908530657 2827964.53863127 2712995.17812867 1096294.08830722 906390.369352771 2390041.82439622 2280285.27971939 3064993.83974663 2488749.44876527 2805557.45650497 2396210.29903358 2188846.11750434 1729056.69038584 2211070.63429078 2171343.17165066 3143655.89841816 2410605.18747944 2924610.70985744 2701293.07429771 2747224.60546541 1921426.11914535 2585384.09719156 1729770.2573919 2573407.25300922 2019724.24580239 3315222.4537134 2194659.6609687 2621495.05205046 2288035.50496719 2801500.67566992 2409773.73935907 1428855.18699446 1320067.75520378 2452297.79872676 2864562.55877513 1800206.32797189 1053726.71496236 2512107.615337 1462723.05399962 PosIS_Serine-13C3-15N1 838922.746907677 812191.905599551 785942.395425518 705075.181418353 813402.268249863 812271.423880456 757824.525891698 692639.999839255 1152280.03581923 807614.844042104 871202.182274643 804256.44927436 922119.167902613 723934.978861451 841143.217302722 901985.524263026 839676.826829936 601160.686679277 770741.755578861 699282.749887289 895484.348797089 704892.012837972 748823.626509262 725749.44878828 754504.735323574 656004.211514433 708842.427233386 729512.193682632 818294.921922734 791691.052911449 735292.317815979 665369.394638594 830238.438510273 751350.598308297 713907.83521112 734678.998757091 770200.117117269 764281.821715923 702851.047441158 838924.701607529 811670.224221033 718779.316649633 836195.005276058 732302.497965156 805081.12526414 854315.688387049 722914.049210023 831229.896624393 880837.909038218 755502.769541638 879725.576712612 690377.53089249 775403.973842539 752281.6566536 746038.522919022 672067.888727036 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name GTP CTP UTP Fructose-1 6-bisphosphate Thiamine pyrophosphate ATP Glutathione disulfide Lysine NADP+ Pyridoxamine 5-phosphate Trehalose-6-phosphate 5-Hydroxylysine Arginine Ornithine NADPH Glucose-6-phosphate Phosphocholine ADP L-arginino-succinate GMP Nicotinamide ribotide CMP Fructose-6-phosphate S-adenosyl-L-methionine D-Glyceraldehyde-3-phosphate Aconitate UDP-D-Glucose Cystathionine CDP-Choline UMP Xanthosine-5-phosphate NAD+ ADP-D-Glucose Dihydroxyacetone phosphate UDP-N-acetyl-glucosamine 5-Aminoimidazole-4-carboxamide ribonucleotide Glycerol-3-phosphate Coenzyme A Malonyl-CoA Succinyl-CoA Acetyl CoA Cystine AMP N-carbomoyl-L-aspartate Propionyl CoA NADH Glutathione Aspartate Glutamate N-Acetylaspartate FAD Butyryl CoA N-acetyl-glutamate Glycerophosphocholine Acetyllysine Itaconic acid N-acetyl-L-ornithine 4-Aminobutyrate Asparagine Homocitrulline Serine S-adenosyl-L-homocysteine Glutamine Histidine Acetyl-arginine Carnitine Threonine 4-Guanidinobutanoic acid Alanine Thiamine Proline N-Acetylputrescine Pipecolic acid Dimethylglycine Pyridoxamine Methylnicotinamide Valine Tyrosine Xanthosine Betaine 1-Methylimidazole acetic acid Homocysteine Urocanic acid Cyclic AMP Methionine Pantothenate Isoleucine Acetyl proline Leucine Pterin Phenylalanine Guanine Tryptophan Nicotinate 1 3-Dimethyluric acid 5-Aminoimidazole-4-carboxamide ribonucleoside (AICAr) N-Acetyltyrosine Deoxyinosine Hydroxyindoleacetic acid 5-Methylcytosine Creatinine Hypoxanthine Acetyl-Methionine Uridine Hydroxyphenyllactic acid Adenosine Hydroxymandelic acid Adenine Phenylethanolamine Tryptamine Leucic acid Acetyl-Phenylalanine 2 2-dimethylsuccinic acid Uracil Mandelic acid Hydroquinone Phenylacetylglycine Deoxyadenosine Phenyllactic acid Thymidine 5- Methylthioadenosine 3-Phenylbutyric acid Dihydroxybenzeneacetic acid Androstenedione 11a-Hydroxyprogesterone Indole Tetrahydrocortisone 3-Cresotinic acid Spermine 3-Phosphoglycerate 3-Phosphoserine 6-Phosphogluconate CDP Citrulline Cytosine D-sedoheptulose-1 7-phosphate Dihydroorotate GDP Guanidinoacetate IMP Guanosine Inosine L-Octanoylcarnitine L-Palmitoylcarnitine Mannose-6-phosphate N-acetyl-glutamine O-Butanoylcarnitine O-Decanoyl-L-carnitine O-Propanoylcarnitine Phosphoenolpyruvate Ribulose-5-phosphate UDP Xylose-5-phosphate PosIS_Alanine-2H4-15N PosIS_Glutamine-2H5-15N2 PosIS_Inosine-15N4 PosIS_Lysine-2H8 PosIS_Serine-13C3-15N1 METABOLITES_END #END