#METABOLOMICS WORKBENCH my265_20220715_060626_mwtab.txt DATATRACK_ID:3343 STUDY_ID:ST002221 ANALYSIS_ID:AN003630 PROJECT_ID:PR001418 VERSION 1 CREATED_ON July 15, 2022, 6:41 am #PROJECT PR:PROJECT_TITLE Dynamic partitioning of branched-chain amino acids-derived nitrogen supports PR:PROJECT_TITLE renal cancer progression PR:PROJECT_SUMMARY Metabolic reprogramming is critical for tumor initiation and progression. PR:PROJECT_SUMMARY However, the exact impact of specific metabolic changes on cancer progression is PR:PROJECT_SUMMARY poorly understood. Here, we integrate multimodal analyses of primary and PR:PROJECT_SUMMARY metastatic clonally related clear cell renal cancer cells (ccRCC) grown in PR:PROJECT_SUMMARY physiological media to identify key stage-specific metabolic vulnerabilities. We PR:PROJECT_SUMMARY show that a VHL loss-dependent reprogramming of branched-chain amino acid PR:PROJECT_SUMMARY catabolism sustains the de novo biosynthesis of aspartate and arginine enabling PR:PROJECT_SUMMARY tumor cells with the flexibility of partitioning the nitrogen of the amino acids PR:PROJECT_SUMMARY depending on their needs. Importantly, we identify the epigenetic reactivation PR:PROJECT_SUMMARY of argininosuccinate synthase (ASS1), a urea cycle enzyme suppressed in primary PR:PROJECT_SUMMARY ccRCC, as a crucial event for metastatic renal cancer cells to acquire the PR:PROJECT_SUMMARY capability to generate arginine, invade in vitro and metastasize in vivo. PR:PROJECT_SUMMARY Overall, our study uncovers a novel mechanism of metabolic flexibility occurring PR:PROJECT_SUMMARY during ccRCC progression, paving the way for the development of novel PR:PROJECT_SUMMARY stage-specific therapies. PR:INSTITUTE CECAD Research Center PR:LAST_NAME Yang PR:FIRST_NAME Ming PR:ADDRESS Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany PR:EMAIL ming.yang@uni-koeln.de PR:PHONE 4922147884306 #STUDY ST:STUDY_TITLE Glutaminolysis contribution to the carbon backbone of aspartate through ATP ST:STUDY_TITLE Citrate Lyase (ACLY) in ccRCC ST:STUDY_SUMMARY The objective of this experiment is to test the contribution of the carbons from ST:STUDY_SUMMARY glutamine to generation of aspartate via ATP citrate lyase (ACLY) in human ST:STUDY_SUMMARY epithelial renal cells HK2 and ccRCC cell lines 786-O and 786-M1A. To test this ST:STUDY_SUMMARY hypothesis, we incubated all cells with 13C5-glutamine in Plasmax media with or ST:STUDY_SUMMARY without a pharmacological inhibitor of ACLY. This is Part 8 of the study and the ST:STUDY_SUMMARY experimental number is MS58. ST:INSTITUTE CECAD Research Center ST:LAST_NAME Yang ST:FIRST_NAME Ming ST:ADDRESS Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany ST:EMAIL ming.yang@uni-koeln.de ST:PHONE 4922147884306 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - MS58_001 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS58_001 SUBJECT_SAMPLE_FACTORS - MS58_002 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS58_002 SUBJECT_SAMPLE_FACTORS - MS58_003 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS58_003 SUBJECT_SAMPLE_FACTORS - MS58_004 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS58_004 SUBJECT_SAMPLE_FACTORS - MS58_005 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS58_005 SUBJECT_SAMPLE_FACTORS - MS58_006 Cell line:HK2 | Treatment:BMS 5μM RAW_FILE_NAME=MS58_006 SUBJECT_SAMPLE_FACTORS - MS58_007 Cell line:HK2 | Treatment:BMS 5μM RAW_FILE_NAME=MS58_007 SUBJECT_SAMPLE_FACTORS - MS58_008 Cell line:HK2 | Treatment:BMS 5μM RAW_FILE_NAME=MS58_008 SUBJECT_SAMPLE_FACTORS - MS58_009 Cell line:HK2 | Treatment:BMS 5μM RAW_FILE_NAME=MS58_009 SUBJECT_SAMPLE_FACTORS - MS58_010 Cell line:HK2 | Treatment:BMS 5μM RAW_FILE_NAME=MS58_010 SUBJECT_SAMPLE_FACTORS - MS58_011 Cell line:HK2 | Treatment:BMS 10μM RAW_FILE_NAME=MS58_011 SUBJECT_SAMPLE_FACTORS - MS58_012 Cell line:HK2 | Treatment:BMS 10μM RAW_FILE_NAME=MS58_012 SUBJECT_SAMPLE_FACTORS - MS58_013 Cell line:HK2 | Treatment:BMS 10μM RAW_FILE_NAME=MS58_013 SUBJECT_SAMPLE_FACTORS - MS58_014 Cell line:HK2 | Treatment:BMS 10μM RAW_FILE_NAME=MS58_014 SUBJECT_SAMPLE_FACTORS - MS58_015 Cell line:HK2 | Treatment:BMS 10μM RAW_FILE_NAME=MS58_015 SUBJECT_SAMPLE_FACTORS - MS58_016 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS58_016 SUBJECT_SAMPLE_FACTORS - MS58_017 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS58_017 SUBJECT_SAMPLE_FACTORS - MS58_018 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS58_018 SUBJECT_SAMPLE_FACTORS - MS58_019 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS58_019 SUBJECT_SAMPLE_FACTORS - MS58_020 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS58_020 SUBJECT_SAMPLE_FACTORS - MS58_021 Cell line:786O | Treatment:BMS 5μM RAW_FILE_NAME=MS58_021 SUBJECT_SAMPLE_FACTORS - MS58_022 Cell line:786O | Treatment:BMS 5μM RAW_FILE_NAME=MS58_022 SUBJECT_SAMPLE_FACTORS - MS58_023 Cell line:786O | Treatment:BMS 5μM RAW_FILE_NAME=MS58_023 SUBJECT_SAMPLE_FACTORS - MS58_024 Cell line:786O | Treatment:BMS 5μM RAW_FILE_NAME=MS58_024 SUBJECT_SAMPLE_FACTORS - MS58_025 Cell line:786O | Treatment:BMS 5μM RAW_FILE_NAME=MS58_025 SUBJECT_SAMPLE_FACTORS - MS58_026 Cell line:786O | Treatment:BMS 10μM RAW_FILE_NAME=MS58_026 SUBJECT_SAMPLE_FACTORS - MS58_027 Cell line:786O | Treatment:BMS 10μM RAW_FILE_NAME=MS58_027 SUBJECT_SAMPLE_FACTORS - MS58_028 Cell line:786O | Treatment:BMS 10μM RAW_FILE_NAME=MS58_028 SUBJECT_SAMPLE_FACTORS - MS58_029 Cell line:786O | Treatment:BMS 10μM RAW_FILE_NAME=MS58_029 SUBJECT_SAMPLE_FACTORS - MS58_030 Cell line:786O | Treatment:BMS 10μM RAW_FILE_NAME=MS58_030 SUBJECT_SAMPLE_FACTORS - MS58_031 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS58_031 SUBJECT_SAMPLE_FACTORS - MS58_032 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS58_032 SUBJECT_SAMPLE_FACTORS - MS58_033 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS58_033 SUBJECT_SAMPLE_FACTORS - MS58_034 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS58_034 SUBJECT_SAMPLE_FACTORS - MS58_035 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS58_035 SUBJECT_SAMPLE_FACTORS - MS58_036 Cell line:786M1A | Treatment:BMS 5μM RAW_FILE_NAME=MS58_036 SUBJECT_SAMPLE_FACTORS - MS58_037 Cell line:786M1A | Treatment:BMS 5μM RAW_FILE_NAME=MS58_037 SUBJECT_SAMPLE_FACTORS - MS58_038 Cell line:786M1A | Treatment:BMS 5μM RAW_FILE_NAME=MS58_038 SUBJECT_SAMPLE_FACTORS - MS58_039 Cell line:786M1A | Treatment:BMS 5μM RAW_FILE_NAME=MS58_039 SUBJECT_SAMPLE_FACTORS - MS58_040 Cell line:786M1A | Treatment:BMS 5μM RAW_FILE_NAME=MS58_040 SUBJECT_SAMPLE_FACTORS - MS58_041 Cell line:786M1A | Treatment:BMS 10μM RAW_FILE_NAME=MS58_041 SUBJECT_SAMPLE_FACTORS - MS58_042 Cell line:786M1A | Treatment:BMS 10μM RAW_FILE_NAME=MS58_042 SUBJECT_SAMPLE_FACTORS - MS58_043 Cell line:786M1A | Treatment:BMS 10μM RAW_FILE_NAME=MS58_043 SUBJECT_SAMPLE_FACTORS - MS58_044 Cell line:786M1A | Treatment:BMS 10μM RAW_FILE_NAME=MS58_044 SUBJECT_SAMPLE_FACTORS - MS58_045 Cell line:786M1A | Treatment:BMS 10μM RAW_FILE_NAME=MS58_045 #COLLECTION CO:COLLECTION_SUMMARY 2x105 cells were plated onto 6-well plates (5 replicates for each cell type). CO:COLLECTION_SUMMARY The day after, the medium was replaced with fresh one containing 13C5 glutamine CO:COLLECTION_SUMMARY in the presence of vehicle (DMSO) or ACLY inhibitor (BMS-303141) and further CO:COLLECTION_SUMMARY incubated for 8h. Before extraction, cells were counted using CASY cell counter CO:COLLECTION_SUMMARY (Omni Life Sciences) using a separate counting plate. After that, cells were CO:COLLECTION_SUMMARY washed at room temperature with PBS twice and then kept in a cold bath with dry CO:COLLECTION_SUMMARY ice and methanol before adding the metabolite extraction solution. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Cells were cultured in Plasmax media supplemented with 2.5% FBS with TR:TREATMENT_SUMMARY 13C5-glutamine (0.65mM), in the presence of DMSO or ACLY inhibitor BMS-303141 TR:TREATMENT_SUMMARY (5μM and 10μM) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The day of the extraction, cells were washed at room temperature with PBS twice SP:SAMPLEPREP_SUMMARY and then kept on cold bath with dry ice and methanol. Metabolite extraction SP:SAMPLEPREP_SUMMARY solution (50% methanol, 30% acetonitrile, 20% ultrapure water, 5 µM final SP:SAMPLEPREP_SUMMARY concentration valine-d8) was added to each well following the proportion of 1 ml SP:SAMPLEPREP_SUMMARY of extraction solution per million cells. The extracts were scraped and mixed at SP:SAMPLEPREP_SUMMARY 4°C for 15 min. After final centrifugation at max speed for 15 min at 4°C, the SP:SAMPLEPREP_SUMMARY supernatants were transferred into LC-MS vials. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation of metabolites was achieved using a Millipore Sequant CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm) equipped with a 2.1 × 20 mm CH:CHROMATOGRAPHY_SUMMARY guard column (both 5 mm particle size) with a binary solvent system. Solvent A CH:CHROMATOGRAPHY_SUMMARY was 20 mM ammonium carbonate, 0.05% ammonium hydroxide; Solvent B was CH:CHROMATOGRAPHY_SUMMARY acetonitrile. The column oven and autosampler tray were held at 40 °C and 4 CH:CHROMATOGRAPHY_SUMMARY °C, respectively. The chromatographic gradient was run at a flow rate of 0.200 CH:CHROMATOGRAPHY_SUMMARY mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% CH:CHROMATOGRAPHY_SUMMARY B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. CH:CHROMATOGRAPHY_SUMMARY Samples were randomized and the injection volume was 5 µl. A pooled quality CH:CHROMATOGRAPHY_SUMMARY control (QC) sample was generated from an equal mixture of all individual CH:CHROMATOGRAPHY_SUMMARY samples and analysed interspersed at regular intervals. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish Horizon CH:COLUMN_NAME SeQuant ZIC-pHILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Chromatographic separation of metabolites was achieved using a Millipore Sequant MS:MS_COMMENTS ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm) equipped with a 2.1 × 20 mm MS:MS_COMMENTS guard column (both 5 mm particle size) with a binary solvent system. Solvent A MS:MS_COMMENTS was 20 mM ammonium carbonate, 0.05% ammonium hydroxide; Solvent B was MS:MS_COMMENTS acetonitrile. The column oven and autosampler tray were held at 40 °C and 4 MS:MS_COMMENTS °C, respectively. The chromatographic gradient was run at a flow rate of 0.200 MS:MS_COMMENTS mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% MS:MS_COMMENTS B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. MS:MS_COMMENTS Samples were randomized and the injection volume was 5 µl. A pooled quality MS:MS_COMMENTS control (QC) sample was generated from an equal mixture of all individual MS:MS_COMMENTS samples and analysed interspersed at regular intervals. Metabolites were MS:MS_COMMENTS measured with Vanquish Horizon UHPLC coupled to an Orbitrap Exploris 240 mass MS:MS_COMMENTS spectrometer (both Thermo Fisher Scientific) via a heated electrospray MS:MS_COMMENTS ionization source. The spray voltages were set to +3.5kV/-2.8 kV, RF lens value MS:MS_COMMENTS at 70, the heated capillary held at 320 °C, and the auxiliary gas heater held MS:MS_COMMENTS at 280 °C. The flow rate for sheath gas, aux gas and sweep gas were set to 40, MS:MS_COMMENTS 15 and 0, respectively. Data acquisition was performed in full scan mode with MS:MS_COMMENTS polarity switching at an Orbitrap resolution of 120000, with mass range set to MS:MS_COMMENTS m/z=70-900, AGC target set to standard and maximum injection time (Max IT) set MS:MS_COMMENTS to auto. Metabolite identities were confirmed using two parameters: (1) MS:MS_COMMENTS precursor ion m/z was matched within 5 ppm of theoretical mass predicted by the MS:MS_COMMENTS chemical formula; (2) the retention time of metabolites was within 5% of the MS:MS_COMMENTS retention time of a purified standard run with the same chromatographic method. MS:MS_COMMENTS Chromatogram review and peak area integration were performed using the Thermo MS:MS_COMMENTS Fisher software Tracefinder 5.0 and the peak area for each detected metabolite MS:MS_COMMENTS was normalized against the total ion count (TIC) of that sample to correct any MS:MS_COMMENTS variations introduced from sample handling and instrument analysis. The MS:MS_COMMENTS normalized areas were used as variables for further statistical data analysis. MS:MS_COMMENTS For 13C-tracing analysis, the theoretical masses of 13C isotopes were calculated MS:MS_COMMENTS and added to a library of predicted isotopes in Tracefinder 5.0. These masses MS:MS_COMMENTS were then searched with a 5-ppm tolerance and integrated only if the peak apex MS:MS_COMMENTS showed less than 1% deviation in retention time from the [U-12C] monoisotopic MS:MS_COMMENTS mass in the same chromatogram. The raw data obtained for each isotopologue were MS:MS_COMMENTS corrected for natural isotope abundances using the AccuCor algorithm MS:MS_COMMENTS (https://github.com/lparsons/accucor) before further statistical analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples MS58_001 MS58_002 MS58_003 MS58_004 MS58_005 MS58_006 MS58_007 MS58_008 MS58_009 MS58_010 MS58_011 MS58_012 MS58_013 MS58_014 MS58_015 MS58_016 MS58_017 MS58_018 MS58_019 MS58_020 MS58_021 MS58_022 MS58_023 MS58_024 MS58_025 MS58_026 MS58_027 MS58_028 MS58_029 MS58_030 MS58_031 MS58_032 MS58_033 MS58_034 MS58_035 MS58_036 MS58_037 MS58_038 MS58_039 MS58_040 MS58_041 MS58_042 MS58_043 MS58_044 MS58_045 Factors Cell line:HK2 | Treatment:DMSO Cell line:HK2 | Treatment:DMSO Cell line:HK2 | Treatment:DMSO Cell line:HK2 | Treatment:DMSO Cell line:HK2 | Treatment:DMSO Cell line:HK2 | Treatment:BMS 5μM Cell line:HK2 | Treatment:BMS 5μM Cell line:HK2 | Treatment:BMS 5μM Cell line:HK2 | Treatment:BMS 5μM Cell line:HK2 | Treatment:BMS 5μM Cell line:HK2 | Treatment:BMS 10μM Cell line:HK2 | Treatment:BMS 10μM Cell line:HK2 | Treatment:BMS 10μM Cell line:HK2 | Treatment:BMS 10μM Cell line:HK2 | Treatment:BMS 10μM Cell line:786O | Treatment:DMSO Cell line:786O | Treatment:DMSO Cell line:786O | Treatment:DMSO Cell line:786O | Treatment:DMSO Cell line:786O | Treatment:DMSO Cell line:786O | Treatment:BMS 5μM Cell line:786O | Treatment:BMS 5μM Cell line:786O | Treatment:BMS 5μM Cell line:786O | Treatment:BMS 5μM Cell line:786O | Treatment:BMS 5μM Cell line:786O | Treatment:BMS 10μM Cell line:786O | Treatment:BMS 10μM Cell line:786O | Treatment:BMS 10μM Cell line:786O | Treatment:BMS 10μM Cell line:786O | Treatment:BMS 10μM Cell line:786M1A | Treatment:DMSO Cell line:786M1A | Treatment:DMSO Cell line:786M1A | Treatment:DMSO Cell line:786M1A | Treatment:DMSO Cell line:786M1A | Treatment:DMSO Cell line:786M1A | Treatment:BMS 5μM Cell line:786M1A | Treatment:BMS 5μM Cell line:786M1A | Treatment:BMS 5μM Cell line:786M1A | Treatment:BMS 5μM Cell line:786M1A | Treatment:BMS 5μM Cell line:786M1A | Treatment:BMS 10μM Cell line:786M1A | Treatment:BMS 10μM Cell line:786M1A | Treatment:BMS 10μM Cell line:786M1A | Treatment:BMS 10μM Cell line:786M1A | Treatment:BMS 10μM 2-hydroxyglutarate_m+0 6189920.988 6101246.17 5892029.92 5590247.413 5520036.738 5642487.03 5776459.34 4803716.111 4787406.142 4688565.646 6068768.378 5982417.869 5856906.49 6060488.735 5849077.96 11135800.63 11323069.83 11138330.05 11452668.41 12517018.83 10054884.93 9220239.648 9474058.141 6533113.873 6154500.408 11900829.99 11277256.59 12060217.54 9146359.961 8895719.968 11376827.48 11415622.12 11387535.41 10251476.91 10892281.02 10157766.54 10288633.56 7415866.941 6988687.063 7320114.714 9088568.316 10385146.45 8490583.307 7546543.625 8210658.831 2-hydroxyglutarate_m+1 338400.9493 285846.2444 292906.2961 309433.054 220359.3932 326634.3658 324550.2097 270144.9768 197162.7566 248519.1048 577902.455 584578.872 662710.0898 592699.1484 545446.5666 2335757.4 2295399.795 2443042.487 2331288.119 2558141.728 2059126.074 1951654.312 2043003.068 1203383.967 1158227.515 3665228.038 3650372.389 3550902.351 2681272.447 2669525.596 1633706.796 1777330.142 1763853.916 1522464.523 1742496.845 1586022.875 1672129.265 1174161.546 895812.8488 1109659.002 2140284.735 2547496.469 2114322.83 1657617.065 1902117.206 2-hydroxyglutarate_m+2 190254.4963 226174.9523 239908.1447 196655.0514 234248.5895 172148.6716 215642.2898 166299.654 109756.6332 157229.408 538450.1561 603849.2954 684708.8233 582644.5816 505475.6292 2245975.93 2388834.495 2405076.127 2368527.224 2534196.808 1763635.077 1559326.432 1778165.75 930437.7308 851228.3558 2233110.988 2144941.535 2396597.377 1772483.249 1627408.421 1923703.656 2146366.446 2127140.028 1730053.735 2010310.529 1703235.913 1845063.079 1047156.378 860048.7974 992029.4373 1595136.174 1921319.557 1625654.753 1144458.04 1448438.105 2-hydroxyglutarate_m+3 944761.8894 934017.5783 1135083.935 1019989.468 1017078.106 996964.2575 1209080.562 920517.0952 711623.6463 786697.9119 2949371.232 2901193.011 3224059.881 2631604.716 2598610.867 6886131.561 7225844.97 7015683.022 7116247.921 7732014.616 5567546.38 4984153.452 5752440.168 3211219.564 2994621.69 7137095.294 6906211.604 6926860.44 5298772.129 5225558.027 6440336.38 6951460.982 6688146.05 5495083.926 6228988.27 5396881.789 5857767.148 3872651.035 3298254.252 3633986.756 5323157.418 6399898.41 5414442.7 4065557.086 4741317.137 2-hydroxyglutarate_m+4 998423.1039 1120228.875 1094220.942 1032819.962 977685.7592 917875.1855 1001749.093 688872.9521 548094.0051 593631.4298 982775.8019 1028420.229 1172306.232 984167.6139 950376.397 1244122.776 1211179.526 1197076.136 1295315.05 1232073.021 914532.6788 772057.0392 916574.6263 470712.2521 428862.6578 895135.4596 879399.9542 911404.2757 691188.0842 609330.6269 1242480.344 1428234.482 1442907.014 1236272.88 1317387.099 1041390.022 1193062.219 742635.9142 656336.1181 692152.9246 814105.7056 968649.2945 873132.4231 550148.615 676734.8107 2-hydroxyglutarate_m+5 23841516.79 26630401.76 26114751.99 23915976.17 24422696.19 21109453.4 25116566.83 17211614.15 13174617.1 13916693.7 21988293.55 22423407.97 24256259.92 19386801.86 19032907.19 23920937.59 24769399.9 24314943.93 24782639.6 26949128.72 17933572.36 16126029.86 17739050.55 10018387.05 9027325.723 16046856.36 16498596.28 16233665.16 12497772.4 12220219.17 27245867.6 29707141.45 28393791.02 24294800.58 26712902.85 21663443.33 24427031.75 15382821.99 12470420.96 14272855 15872716.31 18197343.8 16198540.16 11421840.41 13924173 2-oxoglutarate_m+0 10998691.03 11861142.62 12082026.47 11021302.77 11071371.06 9744304.416 11228704.55 7655501.982 5657559.71 5990256.981 9164532.231 9806333.152 10369148.46 8544684.141 8234070.788 36367760.67 38369031.28 38355576.04 40629829.34 43193455.82 28832007.29 24320939.43 26969806.82 13547223.35 13084010.6 28639503.05 29047420.31 28905094.45 19727114.52 18947896.51 43727861.33 45466932.37 45463759.58 36895506.7 42453933.92 33817929.93 38327301.27 21092611.55 17920973.75 19650896.11 24866332.18 27965158.33 23759309.88 15087009.24 18629698.09 2-oxoglutarate_m+1 858532.658 944285.403 909352.5248 799277.4369 806129.2157 855974.0896 960164.6382 751503.4925 492026.7791 510066.9134 2110618.58 2214027.241 2378812.577 2105437.774 2035654.947 11083586.79 11930981.7 11581646.94 12452036.42 13030911.75 9969978.667 8757062.931 9348073.064 4951208.39 4844790.715 14218270.12 14716611.54 13988883.41 10154016.56 9387315.959 9817783.333 9643643.429 10090881.53 8303312.495 9506511.349 8614996.066 9705139.966 5796810.595 4814316.149 5365793.696 10330071.99 11454820.63 9457184.671 6399954.272 7775826.517 2-oxoglutarate_m+2 1456945.231 1433212.564 1639470.966 1465448.776 1457089.424 1319014.548 1524631.802 1101275.768 822885.0271 890464.1721 2949708.758 3252918.864 3458153.242 2922883.949 2845659.421 12068699.33 13088619.64 12502954.4 13384119.91 14675468.81 9180501.667 7915059.05 8628489.611 4131012.895 4110596.6 9678836.57 9795340.266 9651567.633 6783417.681 6543713.474 12756550.32 12557717.08 12968066.01 10458700.59 11901294.01 9752958.572 11234468.7 6048712.31 5035488.368 5540244.651 8294080.274 9178034.711 7723010.811 5007068.341 6239771.078 2-oxoglutarate_m+3 6765583.705 6991734.396 7615063.755 6864662.292 6887753.894 6748273.025 7656464.572 5905994.372 4227908.153 4736184.692 15299193.87 16412085.9 17533698.52 14193555.03 14080828.07 37151434 39074883.02 38119006.42 39640768.76 42996413.26 29185169.84 25999316.2 28316574.23 14643823.54 14172412.31 29601038.77 30219160.16 29267541.45 21023347.56 20693277.67 40354177.19 41859042.23 41292194.55 34273621.77 39343616.84 32914518.05 37583681.23 22092291.61 18629158.46 20832180.07 27830950.07 30709278.45 26677985.6 17289687.05 22107790.31 2-oxoglutarate_m+4 6752970.247 7424802.363 7194207.135 6960033.264 6949592.494 5965308.376 6852009.802 4499747.673 3237694.161 3517549.022 5516538.511 6118433.255 6333560.204 5117797.454 5112772.579 6609217.81 6887910.768 6803377.695 6802337.193 7665267.215 4638450.052 4207269.249 4426384.213 2225039.406 2224751.354 3897919.888 3990452.004 3971824.725 2791205.344 2619189.927 8573343.288 8592119.558 8588989.788 6968096.531 8114154.12 6543557.173 7349214.356 4177051.214 3454959.485 3894644.047 4374081.75 4849907.349 4218861.418 2776931.652 3528283.145 2-oxoglutarate_m+5 154776432 168065270.4 166000714 156652684.2 157148701.8 134383413.1 156202926.8 104980223.3 74816580.41 82479094.58 114034296.1 123057639.2 127634614.9 102948487.4 102378120.5 130350844.8 137802690.4 134419929.2 140157623.3 153714588 92126291.48 83054661.65 90079708.54 44293781.86 43861918.83 73247267.12 74257089.05 71836394.03 51763059.23 51251478.12 170493164.1 178228019.4 174260083.9 144707878.3 165056832.5 131360836.4 148011737.5 86432583.06 70908431.56 80135011.09 82098260.6 89142689.43 79713821.84 51014500.78 65692773.48 4-aminobutyrate_m+0 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200707.3375 213983.7134 332058.6924 180962.3531 187152.2394 23527.75943 31790.25747 480371.3211 331501.206 559736.819 316159.136 325213.6071 271969.9031 240245.4508 192941.8047 121771.9193 210214.547 252316.1602 227150.6441 124805.3656 31669.30057 93056.4238 334491.6912 368502.5181 349197.3084 146936.0764 214999.793 CDP_m+2 281840.6064 175730.1269 144141.2288 249012.0777 253566.4144 282745.9535 143584.7878 292936.4735 326626.1852 370872.592 249653.3224 239637.5036 206377.2965 224933.4771 320661.0146 171308.3483 222903.6437 159565.4386 182302.1748 234119.5683 198738.3683 204264.2526 163483.2613 275810.0221 209419.7801 78667.01959 54368.16337 76208.04585 166095.4551 181484.2692 216049.7222 183857.576 164811.8233 206505.9488 217433.4447 229417.5754 223100.9773 236070.1487 306747.4449 231136.1052 191494.6472 157969.3228 173627.545 249377.394 201982.6558 CDP_m+3 56557.37974 80588.12963 64926.42614 53315.89924 51394.9476 89086.40923 65579.64998 95954.20089 34386.1793 8860.711583 74814.57647 153128.4479 238395.1754 112096.0328 61673.27632 29145.40014 15372.92017 21343.45129 28079.78981 39839.38977 23675.31682 6396.945719 40648.18092 0 9031.076837 70887.95615 82731.49168 136512.7006 39722.61846 10473.32297 17760.67851 38090.85956 27883.5711 7029.352758 32158.95783 15495.42265 13451.84164 6867.422981 6552.510709 6828.578575 21485.5954 28965.66003 26236.31643 8757.50423 8038.049352 citicoline_m+0 10304927.65 12075887.26 12590526.32 11231670.84 11367120.89 2844207.895 3668162.84 2321614.032 1733536.832 2023993.776 3469686.377 3804103.269 3935770.192 3372815.35 3268216.446 1211397.84 1300282.703 1139872.392 1256276.221 1329163.412 781803.5747 693049.4882 750711.4817 459288.6646 522963.7444 913261.4677 897139.936 895097.6611 829221.9587 720780.8225 1303094.632 1414016.071 1275658.644 1275044.077 1436300.534 1141453.343 1317858.463 997552.4328 862660.5901 1013365.379 1083350.819 1084624.013 889987.3129 947661.3646 946862.477 citicoline_m+3 483993.1169 500059.6499 504652.1726 413076.7143 382422.6273 90870.00966 104791.7132 18886.29719 13573.61006 39905.29396 135037.7272 131115.3087 128196.5188 57631.24172 128339.0554 36279.68526 11580.24789 30739.22246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 citrate_m+0 26649856.06 32191733.2 45499357.33 29838003.77 46270305.51 44391065.84 38762220.89 42750468.6 29069757.33 26599455.91 42825929.54 38984643.33 53884663.98 56516420.83 36221075.75 59240504.82 82699660.06 67174425.29 81252097.78 86550727.6 70291437.6 62269620.68 69583706.22 34258954.62 38082159.39 131086374.4 123559057 119709250.3 89641046.29 84020643.87 96490547.13 73931511.67 107030021.4 71085889.52 92986064.25 77749739.11 88893590.24 43343329.33 43763837.93 56592120.81 95316217.06 124690205.5 112853127.5 84478834.18 82781624.6 citrate_m+1 1254496.767 1203422.181 1676768.843 723740.2642 1311304.996 3777053.188 2206737.988 1282248.717 1154474.83 1577184.194 2159137.378 1657523.414 3079636.867 2737046.251 2628633.236 5036664.619 3199961.476 4075726.01 6917621.26 6531182.715 5438347.524 5210983.113 6686735.514 2506582.107 2722486.175 10018047.17 7879819.987 9977288.75 10205476.86 6790499.341 4431993.399 5040641.853 9071946.689 3689327.407 4371541.327 3853418.202 5765228.154 3266681.533 2343290.835 4950149.361 9733555.18 8464362.014 11079749.07 5395703.42 8890324.754 citrate_m+2 7950516.655 9851165.166 24766128.9 11899735.46 23105356.79 23023867.59 18456418.24 20772556.31 13112202.18 11699645.15 30322230.92 29498368.64 41670547.79 43414788.14 25698380.53 33344782.44 48269421.82 39848147.95 47410456.83 53204498.92 39303944.34 34104758.83 45099467.58 17587828.56 22890353.88 88883816.36 84242085.31 81528746.78 63752128.79 57652373.31 56510116.43 38044571.14 61750750.58 36001032.43 55394855.97 42256586.17 50488712.19 24235012.01 23722979.18 34607397.42 71771085.27 85593285.9 81523499.27 62956815.89 61050395.81 citrate_m+3 12328483.03 15614512.36 25349922.95 15702231.66 31869006.58 22771626.16 28165611.09 26915721.12 14150077.68 14327349.72 36622986.63 39149983.64 52991830.84 43403051.51 31006445.96 43718615.72 60330833.42 52166383.07 58970768.55 59904750.11 44108903.11 39624941.91 39478061.41 18442342.36 20918610.5 62388255.46 54992985.25 55816910.6 43779343.05 43850377.42 67133943.75 55251147.95 76597752.8 50390439.36 66790609.83 50737738.63 63025875.83 26499986.17 25908180.59 31584894.93 54284296.96 62516907.32 65217797.27 43126349.61 44187432.72 citrate_m+4 32812135.25 40267006.22 80469520.67 43267930.25 75590515.18 70299669.58 73798362.77 65629021.05 41845440.11 40765791.27 126905995.3 137733797.8 173251118 152006509.1 104428729.9 92169094.64 113906061.5 108035340.3 113535209.1 122801438.6 90408155 84765408.37 107128716.1 43723555.6 53592399.71 186235697.8 173501491 172418139.7 143088787.3 121943336.2 145379506.5 106004358.9 156233724.4 96482646.59 146512106.8 111213990.6 134305838.8 68279719.73 65029249.34 86403456.19 175786036.3 195591197.1 195312672.9 148114965.5 147081650.2 citrate_m+5 23624102.71 28297928.32 37603832.18 29495998.29 46060089 27402496.38 35803219.01 32591201.12 18612396.4 18346535.23 36789127.84 40517800.23 52519168.69 39948799.48 31318229.57 51445338.91 68006135.85 60257681.04 67980573.01 67372041.51 50019825.64 44117908.08 39773589.1 21556312.29 22742332.58 52913083.74 46775296.54 47869260.74 35029482.82 38549777.47 71969339.39 63619419.86 83196234.94 58016496.28 72053555.77 54992315.53 67123798.85 29447280.76 28414318.48 33005903.26 42691529.35 49508953.86 53364866 32782985.39 35649075.74 citrate_m+6 1703102.66 2341670.272 3979232.982 2233550.136 3570957.194 2856152.091 4145362.536 2528036.667 1358908.225 1601990.422 8537068.086 10551556.58 11844326.15 8972659.804 6548927.175 3948427.086 3106173.694 4505940.274 3358392.353 3208128.786 2088029.36 2016537.409 2149771.25 874850.8673 810113.5636 4085747.417 3211147.392 3544431.9 3730407.258 2145534.058 4217981.467 3550780.052 4576031.126 2763248.028 4514442.951 2887696.946 3762209.821 1540676.009 1687265.228 1699979.802 5130779.832 4713341.042 4679406.511 3107852.228 3495625.644 CMP-acetylneuraminate_m+0 5129310.582 5318355.141 5538775.271 5078069.716 5241558.083 4957365.502 5593473.931 4527531.187 4002713.507 3898814.159 5984558.588 6261968.296 6783868.108 5710048.777 5097401.971 5736671.728 6189594.749 6044550.266 6161764.824 6128441.944 5367612.088 4882100.894 5424213.389 2898913.509 2683502.964 7654996.64 7667728.552 7746672.199 6123878.556 5082880.991 6246306.082 6868341.265 7009983.284 6228521.583 6344981.606 5906266.108 6448863.96 4620272.476 3723630.035 4012440.924 7131455.482 8015026.702 7365067.345 5340378.311 6497533.483 CMP-acetylneuraminate_m+1 1160821.176 1162907.999 1258988.255 1142798.672 1182017.081 1004593.523 1286915.249 1051997.858 894189.6541 848520.3277 1365463.817 1351092.207 1556613.329 1319600.571 1185903.239 1234816.542 1445576.501 1405243.749 1452378.902 1471356.941 1297949.079 1116375.375 1170805.093 643685.2247 563128.8169 1644659.065 1709274.894 1698645.422 1395407.627 1072997.277 1338405.72 1487288.506 1518612.933 1402703.718 1402210.403 1323918.93 1518336.078 985957.825 845954.4033 930221.609 1570356.18 1802182.205 1643432.335 1148122.895 1470382.338 CMP-acetylneuraminate_m+2 2043559.368 2019713.989 2120503.51 1978072.403 2158315.428 1638841.094 1880540.275 1516273.64 1255407.943 1260123.551 1025825.317 1123348.118 1175243.279 1078746.951 941661.2876 885048.5131 1014935.476 993362.8352 968511.4659 1074545.133 695593.4488 672255.74 727740.608 379654.0573 333984.2507 675008.5322 718626.8617 674660.159 543126.8122 508672.4014 952773.7071 1186750.542 1250447.42 971119.788 984172.0453 864012.3547 997484.3653 652924.3562 486176.8578 528142.7488 729871.3693 872284.805 803237.7202 454460.8842 640154.2955 CMP-acetylneuraminate_m+3 591641.57 565959.0582 565915.8286 523760.6174 580702.3705 567444.9446 543851.7253 415661.5274 381695.7298 361093.8707 421750.2356 437049.5894 477251.6332 347307.8791 327159.247 449799.7593 465320.2586 500312.2524 434791.1184 422103.7244 234498.3872 229200.7332 263130.1148 83973.49008 91853.92921 360014.7412 348131.0827 348045.4911 238377.2682 200299.9564 420581.9121 471759.9975 512733.9601 372063.2742 370594.404 337897.0468 334781.7425 147822.488 181042.2211 171081.0098 295075.1117 390414.8772 364277.6325 136846.593 247022.1229 CMP-acetylneuraminate_m+4 105584.5096 124328.7794 104707.2756 120928.4533 128419.609 86748.72122 90935.16728 85028.31391 41738.0871 65718.64453 48738.90244 26598.93051 67588.26497 56211.68924 34922.52406 29729.52416 51661.20706 80894.65532 53550.86682 75267.84298 19009.58693 18752.63169 26428.66936 8136.03267 0 26689.38308 42118.35909 19547.02128 0 33518.77158 63928.6041 84234.61777 60375.12236 39184.983 43270.16085 43054.94816 43631.33678 16344.69987 0 0 21525.46538 62066.65196 49465.23013 0 14920.60345 CTP_m+0 8339299.602 10426248.84 11533076.51 9220108.814 10054874.64 10954821.81 14036111.53 10091400 6576093.456 6658143.586 11856528.87 13759418.13 15380131.49 10581850.3 8841267.361 5936147.871 5909427.179 6216127.722 6163857.216 6409820.604 7935503.707 6847803.058 8106825.565 4472146.955 4149687.9 13035725.76 13673036.93 14582711.37 10549155.21 9481796.314 6077979.5 6388810.802 7391250.61 5446373.269 6482379.505 6342131.241 6703325.378 5321383.728 4877505.303 4708838.919 8850259.575 9958991.44 9311901.333 8157016.316 8379855.079 CTP_m+3 202889.3523 372193.4904 303205.6542 276467.5407 292978.4858 289014.7323 439502.203 116443.5046 30593.3152 75859.25135 309434.1821 530215.2395 611694.8728 245450.0059 107869.2145 90655.07182 94029.18062 120073.759 93216.67856 119576.9238 110029.535 86729.76697 82109.49413 17303.7947 9697.593739 262563.9399 346114.9533 394464.1535 103176.2794 110872.8387 54071.83221 84558.98669 138617.237 66479.70714 91379.64489 68109.53663 116781.7745 26691.03349 21730.93065 0 78224.51026 196487.8706 156429.6072 29550.44216 68514.77301 dihydroorotate_m+0 237651.0496 241802.1425 316931.0303 302742.9631 326688.1346 269551.5013 265267.3336 170015.1035 150884.2715 160609.1105 407193.457 334270.6136 380947.5656 397217.0482 355283.4401 1919723.244 2126037.073 2488729.618 2699542.484 3210793.802 1181938.313 629046.0724 719166.2737 333734.0197 325636.786 2763770.191 2696992.437 2250290.297 1594959.272 1253226.893 1825147.444 1930201.838 2004149.662 1433906.255 1821950.053 1034213.408 1498267.496 346206.8528 237951.8527 278392.3716 1698923.918 2189988.872 1720322.297 736047.5457 1066133.495 dihydroorotate_m+1 0 0 0 0 0 0 0 0 0 0 56337.42387 33399.11841 75008.51944 98611.63528 42329.18756 570157.0481 682156.3503 820246.7526 787199.9927 927237.3042 369382.2654 168532.3907 216941.6893 77408.40964 84961.27415 1374500.719 1352715.509 1101618.323 824310.0676 681284.6917 396057.6851 399058.8362 427656.6781 296368.641 396314.1324 206717.0939 331889.5779 43354.88907 12708.84541 33931.66418 691098.1376 866474.2078 696822.2231 288196.3195 428731.1718 dihydroorotate_m+2 91712.34858 39331.39048 92360.78065 115713.3451 93301.6714 0 0 0 0 0 329128.9032 323157.1023 374855.8955 378453.1584 321840.912 1333728.492 1547233.511 1706194.217 1871379.045 2168129.448 813046.3558 370629.3629 458863.1993 211291.9312 162454.7631 2117412.294 2073746.466 1699954.05 1268582.708 920670.4912 1043371.23 1108408.415 1139369.073 809360.0279 1041635.094 575545.7699 899726.0293 112939.1954 68305.83743 96775.27318 1297304.236 1762130.661 1291858.356 568355.2695 812866.24 dihydroorotate_m+3 424576.2493 374468.3235 547725.8414 554687.7375 623789.5223 341195.6712 346829.324 177588.4905 123139.673 75202.55236 489231.8161 416562.9028 492600.441 442457.1308 422931.2549 1343358.412 1511813.391 1845453.229 1930471.472 2361205.601 579097.9476 287007.012 365229.0594 85906.16078 98561.82883 839793.4553 825861.0296 706087.6418 430963.0771 296309.1969 1389724.274 1519253.785 1559094.263 1054123.026 1330914.328 663463.6343 956292.4804 133852.8592 48025.25434 107814.2231 623311.842 821416.6826 656877.5419 226779.819 383484.681 dihydroorotate_m+4 1019035.52 983359.7521 1364861.216 1470348.009 1449748.522 1054295.272 1071649.99 601496.6118 420363.1125 350814.4972 2454219.328 2179306.146 2524673.952 2504458.594 2051571.03 3905540.519 4410466.909 5320769.035 5540387.018 6589148.121 2198636.06 1162962.064 1454380.093 566048.5149 570367.0467 4896539.592 4879380.289 4011737.753 2958296.166 2261927.172 3650108.541 3793132.509 4031230.866 2744920.47 3481883.779 1921440.686 2795488 502701.1141 349432.1444 358427.8845 3436415.573 4557889.756 3668810.763 1364185.057 2273436.135 dTTP_m+0 5965222.605 6526824.381 7050436.48 5901929.301 6018095.966 5935127.223 7606745.077 5388227.105 3243094.376 3557395.759 6321382.194 6673932.958 7881677.354 5768646.914 5353768.22 4844921.661 5485526.399 5048204.722 5094982.372 5602976.882 5604173.569 4818353.196 5600226.354 3081253.782 3121205.24 7220676.066 7658728.607 7534007.19 6220055.093 5522830.991 5471154.729 6337765.893 6710244.537 5888837.686 5983672.881 5941073.853 6232216.05 4887949.99 4139658.85 4564064.934 7111944.388 7949259.147 7009353.865 5838163.276 6594239.626 dTTP_m+1 617977.5923 719606.5292 812325.3871 621743.2442 678779.7794 699666.4126 842200.4261 650917.6434 371442.5766 371810.5322 612540.9014 674348.4192 870926.1651 573438.8963 494935.4395 524615.273 578700.6181 533515.9869 622828.6968 675182.3581 562918.1789 546971.902 563481.2463 279768.0782 272048.2999 734247.2596 884652.4013 759620.5963 665169.0443 524499.8211 534576.4998 600081.2178 672184.274 611533.1816 695066.6904 626793.435 570967.5283 470072.2725 415327.6993 433309.3838 763752.5506 847904.125 647930.2031 510142.8755 734078.3496 dTTP_m+2 86569.51846 103720.195 139353.4868 77522.66942 53057.00495 58535.04197 125700.0751 21911.37124 28812.08214 9334.552234 79613.78277 109563.1728 123524.8673 134484.3616 35786.75179 143161.3312 149495.0286 109019.5144 102348.1959 160525.193 134271.6781 78092.59885 59104.27897 31193.2654 21641.12819 140160.4282 190856.9224 132136.6767 112121.5418 45524.55526 79659.35807 127436.7044 115761.1697 75744.95416 97602.33621 81669.53204 120108.275 74813.8783 36010.22256 31292.8089 85506.25381 122235.9621 85417.59826 32770.6977 79226.16149 dTTP_m+3 133893.4792 187593.2895 257577.0549 98984.59104 237727.6819 197325.6244 176507.2071 104007.4525 20871.50353 79364.31623 221564.6748 216303.0488 259487.8003 175911.023 153752.5427 122844.1516 160184.1918 192795.7181 107225.2688 236122.3312 91580.89676 78508.38433 105552.4565 0 20569.12322 146533.2002 249116.2574 167107.0608 145239.897 47377.05655 130896.3236 164680.8852 169486.7023 47216.72781 147643.946 87441.51761 156303.6661 24317.82419 10188.9977 30723.14751 177104.6189 172767.7972 135097.2617 9614.671744 84538.39492 fumarate_m+0 3537393.217 3789772.081 3945532.617 3929798.02 3406677.271 2867721.824 3378698.275 2410806.05 1430408.774 2042742.42 2723530.047 2850032.124 3102785.732 3017703.975 3331691.451 3640306.133 3989472.433 3930624.631 3891165.922 4747004.258 3113001.61 2858994.575 2853382.205 1539705.662 1286642.859 4095604.517 4433668.063 4597933.728 3049608.358 2831677.242 5294788.426 5584240.449 5541979.985 4388174.449 4819810.169 4138107.371 4923675.836 2626442.416 2209243.543 2301770.58 4323300.467 5031350.278 4492776.558 2508203.266 3466740.909 fumarate_m+1 278220.573 198169.1248 201016.9437 345937.1353 198669.6574 284298.3608 223992.0421 224171.8256 69794.75746 112593.4068 719819.2918 812307.6369 1132840.888 864816.9089 795588.0681 1181004.551 1168014.908 1061758.568 1239178.25 1478240.463 1117749.772 929296.9966 889016.3545 571306.174 383592.627 2115460.909 2295489.603 2318601.105 1787725.298 1604209.005 1140602.368 1113633.89 1244964.485 933215.661 1126951.628 1021495.847 1357192.27 758285.8977 634923.8261 593544.9455 1918252.545 2292112.716 1971622.269 1252822.294 1503170.166 fumarate_m+2 1944570.23 1945246.799 2063535.827 2107669.923 1923393.248 1738458.327 2152865.857 1512719.484 957476.5507 1031797.955 3316719.321 3698864.809 3878992.772 3398775.018 3325155.044 2499403.07 2735402.838 2367282.86 2461424.08 2944146.806 2198067.525 1884152.541 1960328.714 1048304.085 1005378.281 3084973.769 3227457.84 3172995.639 2376003.104 2339641.821 2853012.78 3117994.359 3117165.997 2570827.893 2734128.634 2661855.777 3157683.023 1794682.159 1492748.843 1626586.702 3791753.877 3744889.197 3269063.378 2220169.959 2800366.995 fumarate_m+3 9722563.086 10434132.91 10368311.82 10291255.12 10143614.33 8120625.497 9706326.756 5703026.158 3615516.92 4527379.312 4409815.254 5202293.632 5343250.127 4169271.458 4269938.275 2404776.428 2790001.251 2693743.53 2755156.966 3220269.91 1708296.552 1226506.007 1451661.002 641311.7327 623782.1799 972199.5562 1107266.792 1115815.804 886669.234 733717.6968 3847673.142 4217572.973 4335103.85 3393189.799 3386407.64 2821679.281 3380963.777 1441020.405 1207752.391 1324477.288 1674240.969 1790292.946 1626193.909 977739.8649 1219508.168 fumarate_m+4 23770078.21 25467998.51 26074846.88 24796246.64 24490500.35 21923191.31 25602224.77 17437928.02 11909546.14 13498676.22 22401475.76 24777481.64 25989321.45 20996036.03 20898451.23 7799260.607 8448117.889 7837435.132 8072390.986 9092107.518 6272894.95 5695332.543 6014457.348 3287649.089 3113869.08 7502596.296 7942100.105 7946116.926 5993113.629 5538612.495 10834827.79 10835782.9 10813962.89 9293719.121 9924855.865 9244267.044 10434476.01 6057979.051 5026600.29 5979388.207 10094477.14 10394350.79 9489963.036 6248976.652 8194778.128 gamma-glutamylcysteine_m+0 185626.3521 159671.0856 168265.9306 217055.9033 189030.5854 131429.5345 141551.6393 124679.6292 79625.82834 54470.65736 196429.6953 181522.3319 203247.32 157678.1899 158403.602 1156394.537 1264812.498 1174646.846 1346739.836 1467165.288 923039.4671 714892.4213 816173.3987 423014.5124 356247.3741 1178099.283 1322600.813 1224496.296 814783.8765 762627.1886 592532.5015 506757.9082 625187.861 420452.9093 503950.814 576620.9591 676324.1633 300061.7839 214022.335 204163.2683 564508.2367 698945.7418 552813.1176 315959.3652 416703.9106 gamma-glutamylcysteine_m+5 1524803.631 1554986.009 1626350.111 1368456.519 1454593.168 1269850.736 1521643.677 1077848.791 686886.955 651723.6063 1356064.499 1295336.895 1387312.57 1123368.696 1070072.444 3572219.614 3794109.341 3357736.988 3842776.242 4044844.84 2549018.815 2186748.124 2257447.186 1058730.988 1043293.38 2448811.269 2788351.583 2425129.031 1704310.13 1669573.403 1614377.874 1656878.352 1625575.452 1384165.177 1490430.394 1328088.169 1572951.83 802540.7749 651728.7334 719267.866 1246203.957 1505366.062 1152187.107 818248.3653 947394.0026 gamma-glutamylglutamate_m+0 441035.1452 454495.94 460000.4114 447974.1321 454489.9092 349417.1457 330594.2313 313017.1824 199400.3477 284271.3535 391368.4325 409972.3498 461536.8446 399803.8052 362327.4549 699499.3939 717797.9825 764420.2747 705288.5972 789925.0405 704777.7482 579628.971 638820.2174 399924.2507 401115.2151 857544.9493 872241.7142 848422.1661 686040.0943 593950.4689 842930.0852 873438.2565 976256.0873 841948.649 924364.1452 862655.0774 868444.5801 561021.5572 572756.3677 599375.0538 947061.7162 944068.7915 869796.5294 572542.6994 746363.2891 gamma-glutamylglutamate_m+10 1118344.046 1095038.555 1155344.321 1084346.194 1051488.965 951119.6944 985880.8305 705949.9666 589491.5134 623015.6751 683102.6964 722464.2516 763698.246 572445.1078 672824.4457 710824.9425 746658.0352 702291.5636 683863.4355 712605.564 539861.1111 453049.6166 477396.8329 297474.2906 318383.0783 436177.9828 435937.9717 459546.1551 409636.2641 341200.8783 1128301.606 1064154.866 1183621.055 998007.1615 956178.6549 917949.5752 952187.0172 810416.922 640928.8121 720588.109 741197.9543 690520.9904 767239.3699 569568.1122 702262.7172 gamma-glutamylglutamate_m+5 1136164.01 1282140.36 1214962.832 1166399.319 1181426.581 1033944.924 1100476.594 731322.7053 593582.0111 587760.116 814946.4497 852656.6884 907791.9639 788228.8185 790749.117 1331343.93 1452836.997 1337838.939 1460258.842 1516017.743 1217614.585 1015182.761 1094561.673 706849.3791 686814.8696 1141860.813 1244626.035 1167759.329 964127.412 922638.2172 1854168.003 2012339.963 2105305.316 1649248.663 1811022.244 1573798.324 1682943.528 1220809.007 1044925.098 1169880.497 1375330.171 1360688.893 1332923.008 1025065.632 1178322.466 glutamate_m+0 180003365.3 193422989.3 194300746.3 181211954.6 182275925.7 167274715.5 188187890.2 144162283.6 119896133.7 120618257.3 173268723.9 178437554.8 188979287 167887862.2 156916152.8 496572680.1 513108363.4 505146708.9 520106970.1 531804850.9 464100618.1 438072377.6 449289860.2 333573425.5 312722726.1 590620012.7 619116812.6 597178268.2 517632399.7 486976916.8 550617488.2 575708285.9 587077722.2 524227463.3 556871951.8 509099114.5 545206361.1 407968071.4 372930236.4 404181764.4 557739496.3 594173376.9 533498778.3 447889922 479094260.5 glutamate_m+1 13954135.67 14988097.8 16007374.9 14045101.54 13740469.53 13872162.72 15909535.76 12963333.1 10576547.1 11373980.42 41840443.44 42482481.59 44644817.19 42506987.63 39223161.37 148386065 154950996.6 152569499.5 154937094.4 160459520.3 160761748.1 155542671.4 156629461.5 126479813.3 117459099 290929653.2 304667065.4 294063952.5 266022259.9 246955766.5 120566842.6 124787946.6 125469273.7 118058944.2 124474566.5 128144445.5 137312118.9 109345459.3 101727712.2 108945151.4 230772278.4 243062288.4 217652334 192809919.5 201656165.3 glutamate_m+2 23112773.29 23226699.65 25462713.94 24248894.82 24460857.41 24095061.54 26848519.57 21500291.16 17049957.83 18573296.62 57542242.07 59978198.85 63450928.09 57342261.18 54544314.06 160463272.5 167613084.6 164789359.5 165478431.3 169783717 147842828.8 139765778.1 143649820.2 103457099.7 97929262.4 199187846.8 207812677.4 201345489.5 178810595.3 166953903.8 152933664.7 159431576.4 159220966.9 143032644.1 152826662.5 143146731.5 154496272.7 113557364.6 101202508.7 111987797.2 183961700.1 191699785.5 174785009.8 148754684 160626284.1 glutamate_m+3 108715962.5 113012993.3 123060807.3 113387809.8 112347293.4 119755044.6 134587242.7 114472476.2 91637888.98 97643851.75 288541352.2 296372895.4 312020470.3 284328889.8 270119401.3 487069284.9 502708890 492969656.6 503001233.6 514219030.8 480117567.7 460120340.6 471128607.8 357713511.7 338650534.1 610782844.4 630629368.5 606911129.8 559815010.8 524665101.6 496789144 521665822.9 520280946.9 477954182 507884555 493920442.8 521330164.1 420175361.8 382663066.8 418226836.4 625450513 643513266.2 599539327.6 519737643.8 557117117.3 glutamate_m+4 109473559.4 115831230.8 114244775.4 110092635.6 109719685.4 101094230.1 115227660.9 87573295.78 68199408.62 73176008.87 105333100.9 109189719.4 111866448.5 99081910.97 95131039.02 89383219.43 91846090.2 91074414.22 90498747.65 94885761.1 76321776.07 74923678.27 77995765.33 56422325.79 54889383.11 83037032.3 87572930.95 84311983.07 74658155.35 70555569.4 105290103.4 111038725.7 111537656 102025839.4 108402370.4 97455142.46 103296632.9 81371457.89 71913549.73 81899906.95 100650098.2 101783029.5 98192057.91 80981794.23 89269520.49 glutamate_m+5 2466886243 2624521813 2590949888 2476400420 2498668987 2258780531 2586774727 1960930827 1567800027 1648345738 2125628294 2222926179 2277459712 2009152608 1933432301 1758512026 1793810821 1767371283 1782419727 1846570112 1515554109 1475020775 1523221395 1103669237 1057367359 1509276797 1577401026 1530225311 1373406074 1302822713 2112132760 2227834577 2230421231 2032690461 2148150604 1950304517 2070975162 1636923086 1455562083 1616185286 1819279671 1854813164 1802542951 1518724280 1656382355 glutamine_m+0 34422140.99 35763564.32 36741481.13 33586597.01 35103247.42 33311516.02 36215149.65 28630179.9 23787649.03 22361776.51 27639027.99 28883142.74 31965006.7 27085004.72 25790699.88 16027328.69 15604064.9 15333910.67 15806558.32 15102001.44 22001057.47 49595041.89 23346272.6 11600805.26 10983857.52 17041739.46 15650872.28 16018778.76 19576111.51 33691247.09 17651429.13 18363359.35 18464823.97 17660253.35 18152113.98 19472686.13 18532188.69 14477013.85 13417822.37 14737770.06 16110454.43 19089858.76 16240697.83 14399566.15 14860269.16 glutamine_m+1 2031780.501 2058666.492 1887047.418 1738298.387 1975184.601 1912115.773 2110768.453 1706397.42 1287310.33 1270954.723 2765333.163 2732300.916 3042493.644 2845912.386 2519860.761 664954.0399 572971.4452 745274.701 652974.2256 715066.471 1056348.21 2480341.995 1120212.978 554321.1531 470482.7494 888677.9055 729476.3583 710481.5161 958567.8824 1640989.04 834966.5014 804006.1245 820827.0442 842122.5533 738976.7805 953882.6419 882843.2172 704114.91 571224.05 675148.9702 736333.8755 848154.6654 799447.3484 632764.4431 675257.658 glutamine_m+2 1207661.503 1297600.353 1429823.909 1318351.326 1186875.099 1159614.694 1391437.016 1126094.712 766211.0125 819271.4796 2566908.608 2716787.927 2725325.177 2160241.323 2251595.895 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glutamine_m+3 8095344.95 8256386.725 9406655.653 8465417.332 8564487.663 8754686.377 9986786.591 8330191.143 6509460.1 6293370.267 14994820.01 15434926.47 16566895.6 14017860.19 13321904.74 1407398.761 1342103.449 1440726.408 1268026.495 1232538.563 1426459.329 1287303.625 1203944.902 1032767.42 821017.4934 1342081.359 1340638.106 1333736.165 1346929.215 1169987.069 1591486.628 1539507.551 1614695.673 1353726.496 1601872.515 1749961.067 1600859.012 1366963.315 1276140.108 1377451.631 1542827.275 1864689.574 1361931.512 1281840.292 1242341.584 glutamine_m+4 56351197.73 57368230.07 57351765.22 52376955.53 53224736.91 54387364.53 58006957.46 49586372.05 41630554.8 36384119.11 45362209.08 45769057.7 49178334.16 45774884.81 41797534 31443025.17 30230210.21 29088858.24 28339103.67 27689031.58 31034901.86 28061917.28 26914209.41 22572521 17280951.27 29130016.88 29413785.04 28919041.82 27962720.77 23409361.94 32914913.54 33308692.99 33899746.49 32924427.02 32804048.76 38862639.84 34318927.28 28524766.57 28447991.82 30663847.69 30148117.59 37452460.45 29006304.07 28374258.13 28277844.89 glutamine_m+5 1327054476 1334312405 1365817075 1227900389 1246967893 1294708128 1364123430 1145589818 985790330.6 863437189.5 1051348864 1075603166 1152398899 1074791279 988143201.8 754997479.9 716861388.2 689904019.8 682285898 653752370.3 749381395.3 674798649.1 636867428.5 543563402.4 409888869.6 704936824.9 695981918 688033642.5 681733348.4 579619053 788980554 787888558.8 820711991.5 791205561.6 782722672.7 933272127.9 820962233.6 675601536.4 673769026.7 731251776.3 719689902.1 887489674.1 700821755.5 681804479.6 680440866 glutathione reduced_m+0 1126981627 1190810362 1307017151 1165521685 1196237254 1001774094 1140053393 797564465.6 556381581.5 598606263.8 923376637.8 972889946.7 1105859044 881397393.1 822864232.9 1181477254 1263945801 1277598343 1294604250 1362178912 1034564131 911381952.3 1029414986 597748281.7 574809530.7 1114482200 1158510342 1171090705 930842372.4 846951875.1 1376416931 1437617789 1495361086 1247417301 1326714223 1179211197 1319239868 821283944.9 730057972.3 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36849972.35 33260913.98 37398954.97 21407704.06 21872347.19 41604767.07 43888918.84 43371953.27 35882064.23 33104389.47 55006095.25 55088566.48 56675105.9 50529909.43 53208115.56 47254037 51567164.75 38059187.27 33500998.99 36003975.47 50513701.04 50536366.22 48681370.08 38553581.81 44621434.62 glutathione reduced_m+5 1015905918 1066784376 1115181737 1017022262 1042677840 914383626.1 1046451510 760001589.9 548702762.2 595634939 807126569.6 871129001.8 927545774.4 735742012.3 712645026.4 720074612.9 751206973.2 718597886.8 750734017.6 790406402.6 579606796.7 525109741.4 588584651.2 345178758.1 342445885.8 575532198.6 602621374.7 612990262.6 504511983.3 469987682.5 967140643 965500794 987951299 884484711.9 926625040.8 800389382.6 870236967.8 646423037.4 559920101.6 610931826.1 754664940.8 757822994.4 743696794.7 576702826.2 686300706.1 glutathione reduced_m+6 51138775.07 53451521.68 55283848.35 50441474.87 52975780.92 45791751.6 51826930.62 37548381.48 27490838.08 29883615.61 40437836.78 43360543.62 46713030.4 36003377.7 35896891.35 36110266.81 36998619.85 36007654.02 36893272.63 40355011.78 29441540.66 26024274.36 28879749.28 17340711.79 16626144.64 28330472.84 29708161.91 29575681.65 25185717.65 23388681.2 49499870.04 48171657.93 49008121.13 44596277.3 46334732 40584046.61 44481160.41 32980937.18 27980621.26 30458226.41 37510540.3 37501951.92 37734846.14 28181250.74 34622796.25 lactate_m+0 271743218.7 278544266.9 273305655.4 236356976.4 242747670 257938671.3 289458745.4 195739072.5 150203797.8 139388603.7 264822966.5 277202621.7 319391382.4 272024809.4 247819428.5 238141859.1 233227615 210973467.2 221381047.7 234717867 229142792.5 202185611 186284793.7 127337740.2 93988787.82 336232884.8 343584481.7 325901818.6 280216834 244742689.9 267419742 277237144.4 283624973.4 257973164 275996469.1 303466047.1 274330801.5 160199473.8 158502258.7 178932906.5 323198728.8 415207102.8 296768229.5 245812698.4 281962667.6 lactate_m+1 9154522.915 9312174.892 9305720.37 7814311.243 8221457.228 8765038.02 9799709.682 6642990.924 5081058.548 4620166.134 9012537.922 9389965.226 10938742.19 9350633.335 8516031.332 7937809.071 7873344.534 7221642.018 7475753.662 8027622.095 7818694.39 6835972.771 6342488.112 4300248.943 3120099.532 11470513.08 11846696.64 10879893.35 9368197.64 8172150.109 8957374.802 9165192.653 9702115.359 8889703.367 9400438.857 10369554.44 9332865.038 5266509.606 5192945.849 5980227.135 11118822.29 14152617.55 10136400.54 8257871.515 9536128.314 lactate_m+2 492774.3768 530387.6211 576661.3345 440600.7044 535334.4364 478545.8517 479540.115 298461.6973 150022.5379 176830.1545 349898.8447 354958.9065 475483.5432 351078.5112 322643.1186 185102.2602 197214.2839 150651.5179 145658.0978 212246.6979 144571.0481 113220.0534 121750.0872 47459.50671 26204.96219 252590.7537 210074.2713 212685.6454 176692.6184 144063.5888 214245.0608 247095.0907 239422.8405 216161.3474 220886.5051 232246.8592 208794.898 111787.9862 100298.3738 94682.1509 233784.4379 359356.2265 248399.7153 116969.9274 141586.6812 lactate_m+3 2103243.35 2125743.927 2355198.534 1769864.41 1909095.779 1912565.014 2121130.931 1213785.166 759044.5359 748510.5382 1710430.837 1685608.288 2279528.637 1481517.986 1464425.67 454668.9441 419040.1606 426655.9909 367518.3121 472206.9651 358196.3215 291044.4538 324056.3062 93064.77304 84901.68599 460383.8259 523209.7161 449642.0873 343211.7565 277187.1286 513197.2644 530657.922 556624.8132 444200.5477 470222.0365 491466.5871 459211.7758 157952.9818 212332.8158 249147.6272 528442.6063 884535.5232 563474.2946 311863.4112 392672.8093 malate_m+0 77499130.63 81766610.85 80772488.61 77477986.86 77038247.17 67065864.71 76472712.29 51090851.02 36495169.3 42358346.34 59250292.98 65931668.47 70066198.95 66493215.54 75902866.61 87036432.07 91069098.02 84983297.6 92189004.67 103831397.2 73081559.14 61357473.02 64875542.02 37443000.09 33749705.86 91736875.89 95968132.53 96393976.42 69866403.56 67356048.97 114044420.5 120415994.2 123729893.2 100333619.9 109059769.6 94349926.85 107483621.8 59267931.97 50988740.9 55809195.68 99473241.72 108442199.4 94477542.92 61885083.94 78884030.56 malate_m+1 7545109.371 7594665.741 8517384.974 7737169.719 7642651.264 7789265.21 8238520.247 6293596.829 4324537.672 5219753.034 19626767.73 21263863.04 23089898.22 20956792.55 20000761.11 27378364.66 28693653.8 26553813.69 29412285.16 32423754.13 25877440.1 23090239.28 24412497.26 14060322.14 12998443.14 48603077.49 50046734.95 50137809.69 38349073.49 36237723.2 26063840.82 26718362.67 27440870.8 22877956.93 24821909.28 24546791.76 27965415.92 16103092.88 14573599.24 15948710.72 44478112.75 47995548.11 41683779.9 28282442.38 35212610.97 malate_m+2 44776011.97 45740203.42 47528573.54 45562107.97 44730546.28 41947665.24 48362902.71 34167406.15 23381389.4 28243277.15 76337686.95 84568271.26 90328826.61 77103492.95 72990206.71 61412797.46 64705219.19 58788072.1 63618087.58 70814659.86 52516812.03 46694371.23 48991614.54 27997225.18 25224384.51 73647122.5 77121657.19 75812441.47 58106691.17 55346861.72 69261909.81 73582703.94 74575793.63 60670087.06 65679170.08 62254399.53 71243729.84 40412591.64 35202179.1 38887639.41 82664049.78 87203308.65 79190581.86 51736085.74 66819909.16 malate_m+3 213341651.5 225760456.6 216883951.2 212168514.7 211625450.2 174036942.1 198908368.1 125856528.9 84142216.3 100416142.4 97660570.38 110444900 113308745.1 92715513.45 90546520.15 61977489.63 65631422.14 60471913.53 64667948.15 74926775.65 40376223.43 32686191.46 35454583.21 16866255.43 15370999.25 28476841.2 29454342.96 29410384.17 22596118.53 20576388.35 88065054.6 94512944.93 95312936.24 74968123.1 81077002.91 63620756.18 74848781.79 36082148.5 29216477.65 32653620.28 40486100.25 43028529.53 39183721.83 24143558.16 31820653.25 malate_m+4 507527512.2 530296690.2 519667586 503537522.6 501925041.9 461514749.1 524882016.3 360109324.7 247675873 294331010.9 454905573.8 508886967.2 526385168.1 439408252 426137623.3 175840497.7 181235654.9 166084070.2 178714746.2 200214367.8 140385186.1 125542764.5 131251805.5 75849281.55 68895980.66 161712905.2 167026555.5 170065992.8 125054926.9 121715019.7 226302454.1 239379106.6 240180916.5 197690783.8 213457323.2 198717491.7 225347902.8 132641943.8 113613648.8 126070886 211077258.7 220419118.9 206287574.8 134029415.8 172854820.6 N2-gamma-Glutamylglutamine_m+0 473158.833 519839.9861 525596.5468 525730.5713 440491.0809 410545.5719 443299.0602 367625.5758 330177.5963 234274.6423 416394.6264 448453.7756 441950.617 352095.0408 455282.8763 258085.2668 206320.6292 246182.4047 282105.9261 250610.1904 378835.8732 747980.8626 307151.2715 156261.1821 132548.5586 325144.5294 369376.8359 310917.0752 308208.3533 422374.5245 337508.1965 265470.5148 303091.0093 297699.1836 309280.7869 306404.4778 333410.1534 198449.5383 179481.0599 176028.3985 279617.1569 383859.4151 305623.7958 264543.333 284578.4813 N2-gamma-glutamylglutamine_m+5 863701.1766 867839.088 839553.8634 683303.7877 636407.7691 810833.9655 857660.0741 775075.5688 730132.5194 464530.4564 502151.3172 342832.1678 649249.3712 688229.0605 565254.9794 539579.5468 456752.8976 357591.4879 320813.1111 321336.2196 680912.3824 541917.1084 426396.7954 456623.1003 205578.8052 639633.498 572997.9791 537121.6514 644559.8478 386262.6432 361560.8426 355419.502 374732.0961 403715.0467 374356.3555 894750.7441 432503.4291 331028.7234 454343.1626 562519.4965 439887.7421 825589.5765 273754.1646 487878.038 379928.8632 N-acetylaspartate_m+0 548109805.2 619571477.2 577565715.9 568974031 585614087.1 501218762.3 616084527.5 437917610.1 346261407.1 359542036.8 575881817.4 613269012.5 601771002.8 560296068.3 521222886.9 105018443.3 111157108.5 103083654.2 111092592.3 116793511.7 103523315.5 94992624.48 93358633.52 65949986.52 61558451.34 123275328.5 129236887.5 118036884.9 101713521.9 96343776.28 34135164.04 36241485.1 33746604.16 31058364.19 33766467.56 29690417.58 34955935.75 21866827.26 20327759.94 22583784.2 32857213.39 36259601.71 29533257.12 24185067.26 27365878.48 N-acetylaspartate_m+1 39060646.63 44047287.94 42358474.66 41162088.82 42588370.71 36138083.96 44474329.84 32220710.7 25370530.55 26771873.72 50564503.58 53600277.14 52079127.86 50210096.26 45873857.02 10493732.09 11166666.42 10366319.95 11196975.74 11682989.42 10914045.77 10248379.82 9696398.839 7447799.125 6871818.495 15690984.41 16459136.34 15252247.06 13685737.07 12765645.16 2939466.719 2996500.834 2853208.181 2620015.51 2821274.307 2570902.114 3013258.772 1980432.918 1899169.788 2030150.276 3584520.467 3838849.963 3248100.152 2766799.104 3175776.841 N-acetylaspartate_m+2 55341654.67 60063676.1 59082291.69 54055001.74 55493709.77 46554593.47 55322824.08 44184846.79 34550161.89 35137194.26 67329853.38 68976666.34 70695456.81 65617791.29 60642181.79 14982962.92 15447488.59 14755896.1 15380426.66 16015558.66 13849634.22 12999566.22 13357502.05 9838399.351 9235107.457 16683041.79 17050598.27 16050715.76 14632624.33 13776594.25 4572816.008 4509564.292 4642521.891 4185882.445 4264646.876 3624218.194 4099396.33 2910678.224 2753245.479 2940604.046 4304469.883 4436412.249 4015583.121 3233728.961 3709122.072 N-acetylaspartate_m+3 81824278.53 88445363.27 88691255.59 79939862.84 80939571.34 72792505.48 84888399.36 64680094.22 48970039.29 50865060.05 68165637.59 71642519.34 74159150.3 63724406.07 59221190.39 11085371.01 11523116.9 11075197.29 11338701.32 11550974.92 8277172.042 7280816.982 7811136.052 4782056.55 4480748.76 6273288.67 6244384.662 6049858.045 5236367.127 4791276.292 3987897.855 4114398.864 4149649.061 3399780.497 3550122.323 2840202.801 3299854.759 1884733.048 1573664.572 1843074.424 1820008.281 1806034.709 1694448.557 1299465.822 1466696.022 N-acetylaspartate_m+4 228016708.6 243143944.7 246136375.7 221194521.2 225976389.4 223668551.3 256558540 212325233.7 169746211.3 172919799.5 331002003.1 342923398.2 350533533.3 314189831.5 291715969.4 32983830.7 34242111.07 32758194.45 33405984.31 34291970.11 31523053.66 29788803.67 30015331.99 22805785.66 21270313.79 34318439.13 34915477.63 33047554.37 30654330.33 29284028.63 11724472.23 12031372.04 12028800.01 10601826.3 11307437.35 10185437.13 11136751.55 8736953.293 7724609.945 8424018.22 10483038.15 10978051.77 10124158.69 8529454.142 9337768.836 N-acetylaspartate_m+5 74008524.41 81634561.45 78904187.13 71379746.57 73160228.06 56101762.39 65453928.33 48200022.82 36221118.6 37122929.12 28748353.84 30320318.1 31351152.3 26525161.48 24878613.7 2562443.879 2769787.301 2715847.54 2704706.628 2913372.938 1807709.086 1625268.48 1771199.962 1120676.9 1083487.553 1057941.673 1196145.307 1194291.232 1031251.881 890428.269 1034634.018 1106193.457 1049175.041 796325.3353 943026.2843 649283.9498 850634.5139 491911.1089 344039.4687 398719.8167 370083.4022 346705.6929 343943.8372 235366.478 285095.8599 N-acetylaspartate_m+6 157785257 173270024.4 168725090 154831441 157342653.6 130420608.4 149454428.3 117252507 92209104.94 93422657.89 75633171.24 79986546.8 81524279.87 69402944.5 64506928.95 5952471.884 6283737.139 5780277.509 6146698.392 6197600.06 4647861.521 4131667.303 4456808.455 3112572.568 3070856.301 2316357.06 2573611.584 2424289.83 2178011.933 1976450.243 2185491.569 2253022.327 2273805.498 1910482.452 1970167.551 1546079.899 1670028.05 1284554.8 1064531.4 1189037.049 791492.6067 827815.4792 801398.9626 594723.6422 699340.0516 N-acetylaspartylglutamate_m+0 57130882.27 61697978.47 60783251.56 60294907.98 58474786.48 50160582.27 61989345.9 42231010.74 31391346.56 32894588.51 53502486.19 59322659.62 59077960.78 51627114.86 51831273.02 1578902.418 2010152.654 1772834.606 2050939.609 2105065.941 1641353.258 1482291.745 1488602.364 872979.0686 901450.1449 1897792.66 2287056.051 1974425.13 1681345.577 1684202.946 720616.7314 690155.7152 753324.675 651764.7983 700510.8639 651253.1154 805583.9291 447332.3046 363425.4005 467546.3153 755606.3901 816871.6737 692310.3815 535223.4207 698873.3255 N-acetylaspartylglutamate_m+1 7016258.37 7438076.804 7192901.253 7453459.353 7064116.628 6116961.98 7520500.841 5033814.158 3798954.474 4046955.168 6646394.129 7325988.525 7257581.24 6416896.048 6361539.011 159188.1155 268439.4036 207177.6181 243580.679 254833.051 196394.7271 180315.054 199107.4782 119805.9179 95949.84567 264130.6007 257286.4291 278933.3257 169608.238 195702.0025 68164.61344 36242.53215 64970.62783 85604.5419 62858.39409 65833.33147 83474.48999 35107.58614 9240.545611 7315.505954 65516.48641 62475.52393 68367.14463 60355.45795 78986.87306 N-acetylaspartylglutamate_m+10 1245289.9 1254804.867 1415048.994 1161392.718 1081647.162 841942.2645 1011176.058 819100.5893 498217.3229 539747.4399 235712.7343 255485.1129 297051.0499 239274.4452 240061.7818 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+11 2294617.228 2376472.141 2645682.404 2167485.737 2234988.856 1981023.623 2209761.87 1687341.997 1074441.832 1231701.211 658903.5819 631601.1221 740153.8358 486818.113 496450.1799 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+2 111440.7891 172582.731 324389.1265 36188.24333 35824.6146 168821.4082 60767.75471 215339.3909 110564.7635 67155.43151 83314.20498 63307.75478 201549.7031 254618.0048 186391.0645 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+3 934100.3783 926128.163 930281.7757 859866.5196 921942.2021 859516.8304 1040933.257 817145.5702 604085.5069 616059.1765 1420229.28 1511733.939 1577540.893 1343625.632 1300611.851 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+4 1223375.207 1331965.323 1337508.885 1310564.35 1229234.746 1211890.835 1443816.722 946220.6917 761697.1279 681824.1899 873794.7983 924439.6137 1034133.225 833617.205 792861.3034 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+5 22506882.14 23403634.62 24588615.31 22859965.25 22175587.52 19216939.39 23782157.38 16006647.99 11314432.23 12040672.69 11998500.75 13126101.25 14130033.92 11085311.01 11128089.12 371353.744 417856.0409 402717.5329 432814.1808 450660.8388 274795.2113 263658.2594 271492.7038 136955.1519 113345.3005 231494.675 307150.9116 315393.6382 217472.8222 199261.5182 96111.75155 107775.3072 127438.8808 97684.30092 106971.98 71031.1205 126033.5562 49171.47908 39080.30259 36479.39378 97967.95859 82619.69684 69901.40832 33472.47719 40929.29574 N-acetylaspartylglutamate_m+6 1727027.008 1739293.264 1902268.16 1849842.079 1752150.221 1606671.057 1881709.553 1398897.855 927461.5448 997239.2938 959259.3714 1169044.114 1314490.496 1025711.5 1025444.908 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+7 1204740.191 1160504.123 1317240.842 1212803.279 1133455.027 1006804.192 1239513.897 926659.1044 692967.2455 647411.0757 867043.1993 946240.986 1060931.186 766493.9815 827278.91 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+8 1405258.764 1421421.584 1578986.441 1354002.994 1318138.734 1219633.323 1378641.371 1035151.134 644190.0446 766127.3157 650896.2894 726856.3464 834768.1339 598210.1945 599557.1119 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+9 3607139.1 3510905.85 3885293.215 3407157.199 3280472.159 3269870.791 3906412.4 3124095.317 2316760.433 2283168.698 2674487.328 2935585.303 3222268.036 2543856.63 2572640.514 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylglutamate_m+0 25643984.49 28015247.1 24964872.61 26976236.32 27614718.96 21503292.35 28095255.13 18336753.69 13628794.01 15736959.74 25782761.56 29050000.25 26443979.8 24528901.4 24630523.48 9838999.826 9824709.511 9696640.166 10291708.21 10582412.59 9461215.102 8504668.349 8467332.014 6088395.148 5808798.449 13098776.47 13449501.89 12730096.62 10582894.42 10060015.31 8550536.922 8893806.144 8753039.391 7528036.67 8452582.279 7780677.682 8863545.152 5801277.343 5389894.33 5954314.616 9426619.678 10291892.25 8878822.217 7174608.935 8395853.576 N-acetylglutamate_m+1 1778539.535 2090266.71 1955932.788 2015138.38 2212292.388 1648627.943 2073074.828 1412390.608 1055825.245 1100993.922 2343300.58 2351855.318 2232519.326 2168821.837 2128477.373 1118907.972 1216280.406 1015850.792 1171342.105 1158898.981 1150351.121 1050178.766 1023137.494 755040.3177 782254.9696 1955683.656 1936740.152 1811811.514 1631272.058 1525458.217 769707.1783 875823.8779 820551.9009 796788.6216 785009.1005 812325.3278 806931.7518 673267.8928 654773.6438 517150.2904 1179307.824 1484945.769 1114207.357 870992.4337 1132666.685 N-acetylglutamate_m+2 1235961.212 1277052.099 1225908.531 1267659.727 1178526.387 980846.3796 1109001.364 779794.5372 606743.501 697394.1102 1133638.469 1212420.558 1171515.028 1130533.344 1152946.099 1112572.644 1048421.427 1299149.348 1150562.827 1246998.806 952985.5425 709775.7996 887313.7302 615080.3392 569345.5801 1007600.784 1090044.741 1002777.717 837143.1584 858939.2513 949942.5223 999143.4256 934137.3152 925169.1115 899313.509 614844.9331 824178.8477 614666.8402 516077.1523 500970.809 873041.8303 921358.8071 811193.331 621494.4284 642111.2116 N-acetylglutamate_m+3 901692.5851 828701.5165 895247.2286 891140.2933 764799.9843 816554.9044 1058047.303 895034.5377 721944.5116 805052.0464 3106182.797 3236537.328 3142108.637 3057402.895 3056303.94 2072708.154 2122379.897 1982248.948 2222764.273 2366390.62 2017001.937 1884689.016 1933964.365 1389242.627 1292842.764 2836715.469 2732661.981 2562154.451 2476178.377 2182196.415 1676296.877 1664499.723 1717899.305 1684960.779 1529270.197 1440041.623 1727889.987 1248143.012 1237375.319 1210641.463 2376758.985 2329536.172 2137015.321 1841788.539 2067307.288 N-acetylglutamate_m+4 913494.3527 903804.8781 910232.3744 866896.0817 893275.9311 846432.0883 1014058.221 710077.6562 551451.2408 619585.2813 1438632.516 1520277.954 1442394.901 1243045.37 1255209.286 432907.3729 535109.9605 495556.2431 456351.8547 496035.4112 330531.2684 411853.1632 347522.2076 229481.91 220230.1695 373392.1891 469796.8093 471188.833 308130.9208 331025.8605 358413.6611 400204.0237 347912.6171 367111.7028 381666.0234 395566.3383 425720.5655 332165.317 235062.8718 289881.2459 405192.5829 395438.7376 417244.4322 229977.8151 369500.0756 N-acetylglutamate_m+5 18001116.71 18951622.06 18164425.79 17356401.85 17733719.78 16428178.01 19253689.51 14894305.54 10979540.22 12026233.62 23528300.57 25060605.34 24252802.17 21741383.85 21440549.21 7908623.993 8077035.308 8138944.423 8173149.756 7810554.019 6712853.82 6278445.78 6537574.809 4549654.472 4162475.83 7002450.75 7354815.86 6716391.57 5946656.3 5738868.428 8043409.906 8178158.112 8461050.223 7914018.245 8000964.092 7141109.432 7887761.994 5707471.502 5084939.543 5700083.863 7387874.995 7670236.828 7093151.943 5801767.034 6751819.928 N-acetylglutamate_m+6 983301.5313 993629.1437 1099667.226 985303.6572 1013213.082 876184.715 1023110.939 659667.4628 498663.3007 585660.7999 1092341.759 1115444.099 996866.0675 878788.446 895461.3239 136778.6493 203370.6555 145068.2014 80865.94275 124296.9623 46633.95673 129403.9025 125477.1148 51463.92699 55197.80179 94205.57576 143474.6894 71684.85477 138681.9829 31169.86452 168187.1175 207550.629 124852.8045 134683.2365 150028.2561 103677.1323 164728.5315 50675.17337 80006.3847 94600.66939 112976.2108 128618.7645 92788.7987 76807.28465 102611.992 N-acetylglutamate_m+7 11289778.92 12036825.25 11299798.61 10986069.78 11853635.32 8399048.291 9866237.07 7196433.207 5240253.504 5807290.857 4996750.163 5140065.408 5305291.368 4487920.119 4014101.582 1163273.288 1202095.263 1178641.144 1188960.84 1282295.715 751344.4935 695100.8485 725699.065 520766.6095 458689.8073 335871.9824 424178.7918 369373.8299 340915.7124 267197.4473 1393353.438 1369037.949 1421919.513 1231490.347 1247304.498 947795.863 1179346.567 743164.2461 606117.471 691273.5338 537550.8837 503655.6746 562783.9598 316493.8003 424521.2601 N-acetylglutamine_m+0 855155.8182 1037523.121 1009428.105 1036237.688 1001140.369 775150.8488 914491.6619 545470.795 361283.3318 405154.8234 800792.7818 797557.6952 913757.6907 693945.5022 684042.403 270503.1102 289530.6403 276323.9129 308355.7099 343953.5311 285915.372 250888.6609 273337.5746 146572.4984 106467.3992 397895.0819 299235.3311 377787.808 286713.6985 266566.5686 283613.9185 292642.9267 288606.0501 252573.6046 263137.4391 254113.4023 314031.123 144720.4867 119397.6761 145321.3231 295489.3342 378991.2882 272168.6561 198738.7419 247033.5289 N-acetylglutamine_m+5 794636.6859 820005.4412 851153.3562 768014.8543 813645.8012 619236.4258 785003.6826 453678.4324 318175.5744 329970.713 560000.3942 584662.5257 654589.2275 472401.9947 447076.455 329306.6088 310409.8815 319590.317 323733.9638 290298.2318 276678.9365 224333.4043 273082.0865 150235.0252 67565.94912 278201.5889 301638.4152 271772.2372 240505.9068 236471.1373 457556.7391 455543.1495 469774.3326 467942.507 468088.2948 406507.1868 482733.8679 270189.7685 246335.452 281368.0121 439705.1431 413262.11 413042.0042 309732.4706 356971.2439 N-acetylglutamine_m+7 219328.5714 195121.3736 241517.5992 223188.0018 192161.7544 99361.41287 162192.8642 82108.29975 17506.86754 63215.83378 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylmethionine_m+0 14242870.05 14676158.04 15071483.13 13913927.78 14294237.68 13224321.4 14420371.7 9829477.64 6447826.521 7314152.471 17922001.67 19347879.06 20894947.43 15204552.05 15452594.24 8391377.43 8071600.989 8600343.886 8627655.258 9891155.068 6520354.396 5853647.141 6834937.227 3582511.047 3511684.047 10063827.29 9349869.747 9473700.456 7852276.68 7146477.232 9491609.802 9724827.433 9556628.342 8348539.325 9713823.835 8091960.601 9343306.39 5561910.757 5069658.899 5395968.685 9774005.364 10064415.54 9354965.749 6351295.863 7999346.383 N-acetylmethionine_m+1 1041364.485 1182649.334 913469.8519 1172970 1021873.017 740406.634 1171887.795 614159.1695 292975.7678 318449.9346 1304532.546 1743288.423 1725579.795 1229336.544 1044389.57 418247.3862 611946.7141 453224.3607 592994.3021 632977.3893 241994.0527 388878.7317 262586.0015 95300.1189 150126.4259 762498.5634 486533.0487 704380.8357 306035.1697 503217.4908 464033.4694 592410.7412 518533.6936 466742.3926 743613.9487 443873.4909 543621.2573 149651.1628 405596.9984 127953.1309 545689.6056 767453.0025 688795.2046 379396.4227 416498.2915 N-acetylmethionine_m+2 7524419.733 8040020.916 8153769.152 7345100.147 7682859.937 5639770.089 6385370.597 4431978.048 3036402.422 3063212.289 3416121.088 3919746.413 3897264.662 2846016.199 2379700.896 1394459.634 1269197.105 1450723.078 1466711.133 1584113.802 909225.68 806848.3629 955607.7987 366438.8317 307252.6504 756891.3227 696634.4144 516570.9805 283066.0824 303371.1694 1538405.243 1768046.787 1612027.078 1392622.972 1517676.719 1063107.902 1561409.134 703905.6016 488656.8765 764371.7281 674837.7957 751224.3202 728903.321 390573.6519 539832.8707 N-acetylneuramate_m+0 6259289.683 6143326.534 6929597.065 6575766.949 6106330.25 5656787.997 6721064.978 4793136.614 3277804.515 3501811.703 5684102.025 5666588.881 6672066.452 5730579.868 5812821.216 13283661.24 14257933.27 13824939.45 14604558.57 15693625.6 12861587.14 10641744.15 11629590.46 6920703.397 6610553.265 12885519.45 13525498.95 13209415.57 11779729.31 10294774.45 15290467.5 14533807.49 15049625.12 12974716.31 14729992.58 12849105.22 13463336.07 8656648.805 7497726.795 8937528.458 11946168.33 13858899.51 11300347.87 8840249.202 10850621.94 N-acetylneuramate_m+1 658237.3961 682000.4092 802503.2141 747481.1496 680440.437 652049.6677 740371.9914 527203.7204 364327.8202 396179.8438 643629.9721 647420.6551 818780.9066 635611.2229 646193.6295 1528836.22 1706751.342 1660065.145 1709991.399 1911037.478 1498185.642 1173185.835 1309464.606 750337.9542 714144.7665 1413809.713 1558734.313 1585021.15 1326891.199 1147112.153 1881171.423 1631619.668 1771808.459 1456942.794 1736807.473 1479338.941 1614574.33 1054848.883 905418.6907 1019896.337 1396190.993 1627527.797 1343401.435 1008848.818 1210458.143 N-acetylneuramate_m+2 1565672.06 1652840.789 1787439.773 1779118.658 1689941.395 1180804.476 1499394.023 937560.584 573641.0882 662971.8474 518047.2819 544409.7138 660600.18 463125.1843 509971.3487 961747.2617 1105438.929 1043795.592 1035595.43 1189040.35 620537.037 496162.6439 662474.2765 320687.1733 294093.9931 285393.141 224513.5673 345366.2777 159504.1681 226218.1513 1466037.146 1388299.317 1497712.856 1097845.113 1278449.412 918964.4199 1027692.335 604457.2673 511518.9595 626609.8752 431902.8344 491023.7575 363074.3026 269538.5521 349534.3666 N-acetylserine_m+0 32253894.44 35628884.33 36564504.55 33471062.93 33348391.8 28214283.05 33547283.62 21455467.08 14439344.53 16037193.61 32269407.18 35109215.9 38204730.9 29437954.02 27427403.92 29693751.57 31157258.96 29944915.02 31681897.59 34038037.06 27157700.42 22867727.08 24115111.85 14734935.25 13370235.26 34925433.77 35065461.76 35137128.57 27271535.48 25239608.78 31367920.18 32431604.31 33859097.76 28303722.24 31707474.25 28027954.86 30403106.42 19076261.28 17003817.32 18541677.65 31067772.06 34074969.08 29753844.12 22013831.95 25772341.18 N-acetylserine_m+1 1898886.556 2088812.025 2114795.086 1922753.999 1967599.077 1664481.218 2049957.155 1181580.276 835799.6106 907661.5529 1902762.908 2131316.729 2299463.493 1761283.792 1605841.796 1570511.955 1667199.958 1623569.467 1749431.356 1882988.357 1439581.007 1160816.964 1356850.505 765183.5079 646707.7515 1908092.567 1932733.802 1981350.433 1450794.276 1409031.978 1761491.647 1828006.076 1907376.948 1497589.924 1734182.202 1528711.709 1763934.164 963843.6124 867067.3755 966886.7856 1739355.626 1918009.85 1707937.038 1171386.386 1463451.439 N-acetylserine_m+2 10126895.87 11244555.58 11233598.93 10035528.41 10173620.17 7942797.704 9334736.293 5698015.921 3607984.813 4106553.344 3654319.395 3961769.906 4417167.884 3070334.998 3018680.753 3066718.744 3147118.558 3254685.638 3303978.537 3578002.042 2233573.741 1848168.986 1961140.964 1012763.266 896800.272 1439490.789 1416144.116 1330287.451 952023.5865 885084.2086 3855294.183 4094681.874 4172983.028 3177484.663 3599669.541 2763214.624 3136319.678 1789437.995 1484293.039 1740365.094 1549116.633 1745043.003 1475794.628 964240.8506 1171207.981 N-acetylthreonine_m+0 3619858.115 4103767.797 4030556.092 3825566.318 3830302.916 3255847.326 3695479.319 2324916.573 1591419.562 1825479.268 3687616.151 3962966.092 4027653.831 3323894.172 3073187.496 5022057.534 5260350.39 4709507.654 5353140.823 5804427.202 4602069.764 3828750.113 4046677.326 2383784.081 2262374.635 6310027.926 6004029.149 5859574.864 4565240.899 4325694.55 5171406.685 5623729.001 5386009.735 4657675.207 5125682.506 4501685.805 5175593.536 2955230.506 2796635.69 2887905.909 5261801.713 5742536.346 5025306.349 3576930.566 4095777.261 N-acetylthreonine_m+1 220638.2782 211192.2212 190333.2774 198165.7114 208809.8751 158160.514 215167.3426 98762.59472 51560.71086 50757.41161 180108.5963 183931.3266 195036.7429 150688.0335 130535.5422 265624.8144 283332.9818 262975.3481 293564.2526 264342.8464 213508.1354 170006.1293 181059.2736 119854.4389 89886.41518 347487.4867 296368.1302 325927.4145 226576.321 205245.278 283763.7691 278649.9361 313955.9866 238961.7589 302700.0236 197912.0842 284194.2783 167548.2972 122810.7176 144614.2878 270507.5362 345280.0599 251067.4038 181688.6962 229398.7115 N-acetylthreonine_m+2 669222.8805 757598.2733 775046.3351 698590.989 663291.903 558029.4409 578339.6563 375536.1097 220039.6149 236505.3229 226473.6625 215090.1269 244250.2081 175332.9928 182146.5151 321783.8074 339798.8353 294783.4933 312893.6057 355837.4469 245056.617 158612.5453 177654.5371 78158.22842 70212.07139 129179.7056 96842.40376 98267.61827 58146.9347 41799.48604 393900.117 435123.4033 418572.6263 329246.9903 350768.5509 258469.5169 304512.1111 172507.8479 148320.515 133632.062 156418.1611 162277.2176 156188.4519 83398.31942 91397.50379 ophthalmate_m+0 4056132.755 4188606.81 4545104.875 4003097.254 4182931.941 3639654.841 4592739.243 3208499.338 2177085.438 2162161.876 3793276.824 3823495.803 3939149.238 3513783.637 3347124.844 1923660.024 1999974.995 1989837.783 2038217.69 2116737.589 2290000.902 2090418.492 2275923.761 1459798.973 1394638.914 2979901.724 3056655.507 3032142.451 2844882.111 2473234.974 4879694.071 4579412.367 4670111.042 4557640.615 4732448.077 4365253.056 4487847.748 3574557.241 3117694.986 3388032.543 4816795.091 5231633.603 4458953.023 3818485.685 4455819.379 ophthalmate_m+1 505148.7451 532973.8606 608178.7955 491150.7932 501052.9097 518194.3843 608152.4007 501980.535 279202.4568 349402.3008 960677.4332 1070243.689 1158154.314 964944.0634 981599.075 627306.3583 707082.6257 658832.5325 664414.5937 604269.5792 819293.776 831957.8068 813411.6331 515802.9999 531719.7297 1527122.807 1548159.397 1561516.824 1427927.294 1168384.271 1139672.447 1097961.945 1162787.857 1100041.54 1090855.718 1095057.573 1189000.382 1024442.8 871586.4307 1040343.439 1972897.247 2085879.923 1815352.741 1620073.93 1889722.593 ophthalmate_m+2 406849.0829 366532.4443 522908.871 450896.5833 517026.1352 490534.7613 584917.8925 466324.6779 264454.4208 345152.2072 1133856.928 1136638.067 1275698.522 1176347.187 1071999.506 556150.1322 600407.8452 565617.3387 529347.7571 584402.1513 660981.6418 589232.2335 612636.0012 341280.6657 348907.2309 862917.3126 903005.0089 947927.1016 851701.8631 759813.7712 1072097.36 1006921.686 1119422.374 1003085.158 963918.9348 902580.4223 966377.1979 795482.0448 695946.3208 789643.2493 1342153.975 1540421.756 1258515.255 1196103.305 1371907.675 ophthalmate_m+3 2278310.634 2229155.162 2675124.14 2424481.151 2446061.274 2445333.071 2983688.804 2571324.859 1782053.246 1866111.985 5851259.036 5855879.985 6227257.758 5734272.379 5225030.709 1706342.286 1815594.429 1812152.372 1823989.345 1735328.674 2145708.178 2005042.22 2110860.297 1509518.699 1401577.989 2712759.346 2679988.149 2825451.869 2704801.05 2317207.509 3799308.98 3620426.461 3550688.988 3818418.471 3892017.1 3730222.781 3722686.455 3370900.622 2868988.474 3234889.371 4884922.593 4793462.968 4692099.986 4024572.134 4591251.436 ophthalmate_m+4 2449414.025 2386259.343 2763449.452 2277593.232 2494813.899 2232204.297 2774638.694 1920372.53 1386646.079 1378425.441 2361548.963 2479621.686 2550262.584 2225989.727 2229957.809 334520.5055 398937.0136 352646.9124 366049.7202 327366.6032 432994.9891 431325.7609 425777.0457 249693.8395 241552.3008 484785.53 497184.1694 476116.9065 465263.0947 384376.3265 970434.0479 1013933.744 973050.7587 1034602.783 905472.0789 913832.0567 911145.2498 753919.6023 638138.3357 753092.6074 1002440.84 1025913.102 965305.483 810474.5956 943746.9999 ophthalmate_m+5 53125571.29 55515830.38 59576450.59 55123543.05 55522745.42 49877759.8 60501233.11 43755524.89 30868525.63 31516496.76 43091202.19 44968901.63 45905168.78 41119651.56 38364446.74 6397946.919 6659646.588 6368638.617 6341786.876 6428496.032 6973573.367 6673249.83 7157221.069 4606289.196 4252447.847 6722385.881 6937251.894 6895567.723 6643743.679 5749563.263 16982190.35 16729060.62 16803430.74 16846747.56 16477170.57 15683347.43 15518598.9 13124860.25 11327460.48 12634228.24 14507661.77 14526907.48 13988557.83 11736726.54 13598561.83 ophthalmate_m+6 3198599.961 3329535.086 3598735.278 3408373.056 3513886.227 3100135.768 3828970.78 2667879.388 1772150.587 1915669.001 2462238.771 2689119.275 2717884.972 2528996.634 2373619.033 309672.9012 348149.0941 308391.7273 309064.7019 307359.5343 321597.529 374648.0077 390548.1887 203439.0086 201834.644 362126.715 302919.5813 377542.3699 362713.3405 312869.9495 984045.1602 949161.0322 992020.0688 873045.6799 958023.2436 864051.6446 860012.3643 751800.8814 551635.805 724782.775 819301.7294 847660.1918 777031.6137 652609.1826 751804.0436 ornithine_m+0 7466310.95 6412674.736 6687842.298 5842424.225 5657646.354 6518483.383 6123103.395 5859350.49 4834546.474 4589539.815 4569587.919 4349224.169 5742350.135 6207817.193 6281524.877 5068169.355 4037600.176 3180109.528 3082741.912 3409956.807 4704933.701 4150561.285 3736448.854 4367250.186 2201207.751 3655222.673 3467200.073 5908042.703 5851286.449 4365337.584 3292011.138 3082742.696 4399680.54 4757009.324 3539661.524 5859440.899 3824905.674 3572373.144 4132474.798 4296065.629 3468301.923 5964487.434 11591045.85 7924359.22 4547077.66 ornithine_m+1 297707.3165 252496.83 259171.1725 212964.2872 182004.0431 239556.3927 247879.6484 220669.2262 171758.6612 188009.6057 216929.2218 206198.8727 245811.6416 291229.3994 323499.9756 252627.3647 177631.0985 151873.5664 102990.1972 141977.4235 241994.4183 208221.1236 220558.3601 201760.1349 79497.45697 212258.9397 150345.1987 297764.1298 281646.0948 222215.566 158724.0064 118661.0083 188444.6162 199048.6892 159313.2597 300044.5589 154769.8574 181189.0126 195181.4492 214523.8285 236525.0163 332220.4382 565551.6613 375975.3018 260180.7822 ornithine_m+5 6341915.466 5881542.268 6283431.978 5617497.55 5541802.215 5628714.995 6315683.877 4880841.224 3386249.606 3665645.754 3978096.025 4269538.988 4335979.432 3904386.366 3945597.822 1026752.65 836225.1702 1016753.588 895197.9863 929406.0306 858780.153 782618.3464 986997.7656 587713.732 592594.1507 637631.1514 642459.3351 667859.3866 717701.3969 683164.9278 1401869.005 1239660.324 1591976.356 1449130.429 1453518.015 2001153.513 1473915.581 1680944.459 1554892.164 1608354.257 1130787.829 1135309.637 1278553.411 1046097.072 1186714.139 orotate_m+0 4231398.974 3936148.042 4677826.495 3780673.863 3776063.889 3989692.328 4364237.775 2616320.26 1514064.289 1459721.971 5374233.311 5185864.021 6265072.938 4763691.733 4090809.603 27183693.92 30176720.96 28726603.28 30081903.94 35957637.88 10818261.06 7414309.592 10156035.41 1997286.906 1816306.985 28992724.4 30997440.8 29374032.15 13767781.56 12211871.96 25648416.77 29464161.4 28140691.81 16741091.19 21273537.27 15049472.35 22029703.21 4060900.544 1909338.837 2436787.35 21717089.14 28300384.61 20846573.7 5207590.073 10177572.72 orotate_m+1 459236.3294 424823.8045 521693.7907 424523.2771 394720.9412 514930.0821 537656.2966 343284.8483 177395.5014 179289.7669 1795305.681 1780693.086 2155952.91 1808281.035 1351606.818 9186904.051 10169849.38 9623043.177 10059256.12 11656945.92 4291544.693 2885172.984 3792198.836 787041.8859 737483.0082 16432644.52 17267477.96 16077765.39 7807478.204 7167342.84 6279136.464 7020556.543 6722784.036 4038691.255 5335489.26 4287015.906 6135030.862 1172522.33 529519.7277 760032.4611 10092045.64 13252606.96 9796817.749 2508281.327 4793129.949 orotate_m+2 2473819.86 2106938.152 2882911.933 2303321.066 2306760.032 2597433.906 2742097.471 1860347.783 937652.0582 987898.654 6830641.151 6610951.588 7975689.62 6328400.697 5331757.877 20010274.73 22237196.5 21096105.83 21653023.8 25879048.85 8494017.289 5970559.218 7725710.661 1468173.589 1423473.993 24813987.06 26512714.5 25087740.79 11802091.47 10760156.94 16154635.81 18606911.69 17527549.02 10494085.54 13630444.06 10369220.35 15066160.23 2849727.49 1218201.958 1754355.065 18593829.71 23751253.01 17947113.05 4503117.026 9031182.091 orotate_m+3 10734219.14 9696845.781 11237023.99 9888497.085 9912475.644 9800012.926 10811383.13 6022073.605 3006174.024 3138870.168 8458301.782 8458754.346 9833250.829 7135338.44 6276449.315 20783128.69 22519106.61 21630020.28 21377284.47 26587214.53 6139175.624 4208776.193 5704594.102 891701.7104 827977.9634 9279421.105 10086048.18 9809074.275 4052301.951 3735797.889 20559122.07 24023862.57 22307374.87 13101419.1 16470916.35 10689466.09 15724823.05 2643634.31 1059648.843 1539035.71 9017875.57 11800642.95 9079536.93 1881226.028 3998248.19 orotate_m+4 26884725.19 24062993.06 28289555.26 24285298.42 24612904.24 27389695.64 29554251.71 17887991.78 9363054.132 9723117.869 40803652.31 39749985.21 46498289.94 35142004.95 30486327.57 58172745.61 62252346.55 60326355.88 61349267.26 73384691.32 22269633.26 15869874.98 20959019.56 4175344.196 3859973.519 53976491.44 57620729.27 56213227.66 26135077.71 23705848.96 51366550.38 60805326.33 57282050.98 32589337.84 42617077.18 31649110.67 46080413.66 8665971.167 3592896.334 5533823.702 46522253.7 60425332.81 47551507.3 11109418.25 22640239.5 orotate_m+5 261597.7569 257802.9664 334964.2449 299447.0597 273217.8814 280905.6988 274370.5665 142028.8109 83460.69238 99733.74175 460439.8373 423119.4984 511409.7787 385662.7693 367718.4675 636701.4913 685933.0001 655804.6112 686226.4812 856983.8083 221876.8885 152110.9852 210409.4255 10626.93618 11510.76018 641089.8367 688567.1183 654458.1428 267537.783 268391.4602 555141.9526 690822.7724 623918.8808 363733.1936 490869.0057 344029.741 481636.6817 70640.73745 20919.88373 40050.42125 563794.897 712039.0386 526122.3176 96886.6367 273301.8493 orotidine_m+0 38900926.34 42378882.16 38871158.54 39697111.67 39959545.8 32620490.8 41433808.61 23418678.54 14907245.19 18237970.73 32048801.31 39656797.5 40246914.87 33914954.52 34297713.45 464541981.5 520465076.3 402516015.2 476979963.1 570826669 403327386.3 351140749 345828792.8 208703216.2 192258425.1 483422438.1 543518065.3 498216822.4 403079881.8 397035159.7 528210396.6 559983605.2 512294349.8 432584787.5 500694903.7 481875814.8 576828335.2 283609103.2 262625944.2 303871522.7 540871638 556500128.8 440997076.2 298001806.4 404248577.1 orotidine_m+1 4328506.756 4536497.675 4227422.279 4204343.86 4361744.991 3664974.66 4644375.738 2587187.843 1611944.642 1838970.124 4007751.201 4889198.745 5204247.169 4281715.592 4354193.059 58066173.09 65521491.75 50949347.77 60114735.29 71958238.18 50071721.84 43318956.26 43630918.49 25768183.34 23514057.54 65201714.61 71395301.82 66654046.35 53502257.85 51745818.74 63587156.76 67868054.56 61733679.34 52273252.95 59448903.5 57988888.74 70319446.75 34209908.22 30577440.34 35639796.36 70740350.8 72172231.62 57096818.82 37656343.41 51098299.49 orotidine_m+2 1138218.078 1127637.581 1386980.321 1193822.359 1166308.468 1061166.299 1305132.292 877729.9087 468415.2788 641600.5783 2544558.21 2972229.328 3752975.506 2801247.107 2702723.986 19707930.75 21845483.97 18325501.73 19079778.9 23496050.5 13249708.36 10825320.08 12564685.17 5588835.875 4536847.862 20954703.99 21784830.82 21675994.67 15216940.42 14418452 19092247.86 19708084.21 20425273.24 14849768.56 17156411.19 15925849.53 18620518.71 7718377.207 6199330.436 7052488.691 23006777.31 23592580.81 20195182.77 10405884.57 15222924.88 orotidine_m+3 6507885.437 6235916.685 6879738.537 5875702.85 5873824.641 4914224.11 5470096.772 3444669.546 1811450.207 2118446.193 3441576.736 3894802.792 5030341.983 3530199.277 3357087.863 18070008.89 20332937.33 17543071.58 18092349.39 22696528.5 9378305.506 6864271.964 8645517.78 3012824.632 2988230.864 8021903.689 8954633.317 8572871.47 5366799.439 5314054.407 24465701.94 25617192.78 26598286.97 18254497.1 20085352.87 16619760.85 19630263.1 6767063.969 4780852.866 5935956.178 11518710.55 11653069.53 10382604.34 4466153.962 7145501.112 orotidine_m+4 17266246.52 16419346.3 18304128.31 16110925.51 16347199.24 14674124.74 16277930.1 10938508.01 6373025.72 7552757.621 16908428.02 19076375.95 23697735.97 17117637.65 16629289.56 55724751.14 60049561.14 52389436.55 54882564.06 65428106.5 36131895.19 28685114.99 33855252.04 15810736.98 14002326.61 44578253.02 47530094.85 47954173.78 33204947.44 31487345.11 68001924.93 70589583.07 71816852.51 52293111.3 59227361.38 55164134.25 62581198.54 27632538.3 21493026.05 24427080.83 59572540.49 61096147.83 54635616.3 27995139.51 41077355.62 orotidine_m+5 939088.3345 829767.3852 1081906.33 907286.051 915574.916 870874.0399 1017409.166 627059.9533 314995.0107 442136.0162 1025907.781 1137624.496 1409236.922 1116765.428 980859.099 3693351.633 3887112.107 3341510.234 3459473.171 4213721.223 2419493.278 1774517.219 2062882.801 941471.5274 820999.5458 3011093.575 3181140.85 3120382.019 2171648.48 1929968.341 4256843.121 4405677.896 4681938.281 3230263.631 3660636.647 3196882.782 4032083.563 1651253.775 1309483.256 1471888.856 4030722.619 3949133.096 3605675.151 1703288.626 2564755.456 oxidized glutathione_m+0 1797188.494 1816531.405 2003446.533 1539195.642 1770720.467 1416978.981 1614180.033 1141271.137 825666.1904 727973.8821 1357935.661 1235175.581 1537690.725 1225063.333 962999.1693 1699869.904 1651891.389 1764429.881 1704669.333 1924861.269 1463031.941 1308004.834 1411331.638 794877.4313 680623.9522 1579373.025 1545758.12 1554585.722 1192909.6 1059728.808 1759417.1 1990044.797 1872779.108 1565508.184 1515253.142 1542404.768 1628882.804 923699.2709 771212.9201 815605.9278 1335173.311 1550937.655 1299181.306 845319.872 994759.4681 oxidized glutathione_m+1 343679.8873 343418.6895 384214.8681 322663.0952 364562.5194 255836.9771 329171.9481 242375.0091 149748.5491 101383.3818 276862.4636 263448.9122 281088.6335 242913.2192 200323.4284 434450.2868 447262.1711 376588.2719 418546.6543 474698.1371 403594.8923 333077.3918 363547.1212 210846.7463 169664.2458 504355.4996 546293.7312 476113.3913 431998.0831 335309.428 408064.4494 410523.2563 490228.1227 323587.4322 329876.6453 283842.1548 360213.0859 226944.3447 163577.3869 211250.0136 395238.9021 439017.5445 371389.7595 230322.6494 292335.7308 oxidized glutathione_m+10 1236952.348 1297428.586 1276646.748 1081386.098 1200009.124 923774.3813 1132934.264 807308.3085 613902.0486 559760.447 863435.9326 906942.5845 878274.049 732386.4791 601118.6724 501181.1632 555058.6686 478511.7331 493122.827 550488.2714 416669.4564 356855.8131 404919.1103 218769.6406 165440.7055 363636.9659 362005.0245 331229.7417 328551.4695 247415.9448 778387.7964 647297.9665 690456.8371 628299.0476 625381.3694 597253.4821 607917.0393 525888.663 345174.0265 384168.1829 522978.7946 453713.3782 490297.1415 329550.5163 444431.9866 oxidized glutathione_m+3 54311.54517 60469.03301 66163.92631 53713.31947 86092.09863 25750.02342 68731.65232 54936.13776 42356.52222 25011.94078 228137.4294 221322.2984 263771.2328 174129.6157 131353.7459 460168.508 443594.9902 446025.2303 448840.4594 483140.3006 399353.2303 376355.9148 428367.813 177674.0308 186188.5148 582919.0176 530092.402 565877.1716 448667.0989 401044.7942 477394.0365 460938.4797 428629.6782 403942.8693 343926.4267 385662.4159 422246.8834 273507.3413 223602.2203 238465.1749 450730.2412 488342.1022 430724.3442 295845.7772 372862.651 oxidized glutathione_m+5 2920305.136 3162931.413 3309986.526 2871634.681 3003875.596 2376048.769 2913980.737 2021123.407 1503001.735 1354026.103 2262200.663 2300865.948 2521322.312 1884557.314 1598394.523 2095456.524 2069794.961 2074436.072 1979442.471 2224457.169 1807095.11 1552724.445 1656025.173 905342.3245 844797.0624 1622785.807 1620887.1 1610714.98 1366461.76 1077131.665 2567441.256 2722480.028 2613580.619 2200173.454 2210804.752 1954502.622 2207415.199 1526086.388 1225769.484 1197197.636 1848659.854 1944702.63 1798072.23 1184166.243 1521227.194 oxidized glutathione_m+6 486035.4559 481263.5293 424221.1413 446363.9687 445848.6808 302904.1019 401533.2976 302168.9404 190301.7928 175190.8371 312431.5932 349508.356 351724.8844 301726.7999 242169.0557 393993.1737 358875.8119 369931.6607 377631.6712 370626.4285 283567.0704 287920.4535 349589.0112 141141.9534 124495.2643 333727.6486 381491.4379 362907.5707 281506.2898 221174.8044 447447.3879 452339.1257 450946.4601 352995.8733 389855.3556 333518.9759 394718.1341 291611.6523 223217.2371 229845.1842 346033.458 408613.3518 307224.8546 224597.4842 295321.4087 proline_m+0 3555209782 3646953071 3744942409 3378843695 3429945006 3367399340 3700826883 2843994889 2282517912 2405231084 3552726290 3686794861 3929437296 3361703248 3115946126 2012686407 2000000704 1939724452 1975801456 2015426873 2043294954 1876228774 1868914504 1352046371 1131379723 2372740511 2358492530 2324403633 2090340306 1943592157 2325818169 2279301271 2396211161 2276515527 2323291511 2368336430 2181284483 1743162327 1758006987 1790179270 2309103586 2620628641 2271056244 1965881635 2119235713 proline_m+1 198854975.4 205787416.3 212997218.8 191843786.3 194066862.4 189457174.2 210528938.5 162010993.6 128415080.5 137242532.3 217128155.4 222490715.2 237249552.7 204426754 187824575.2 179112915.5 182492832.8 179377983.3 184517043.1 189674086.7 184221902.4 168470097.6 174072862.4 120419309.3 105639272.4 294754193.6 300619576.1 294754373 247578554.1 228866219.4 194674698.8 192652748.3 203254630.9 187672168.4 194782435.1 199134500.7 193104766.4 149830403 150180013.2 150950584 264443029.2 293753242.4 260295454.5 211452046.8 233331075.5 proline_m+2 21726702.99 21825738.01 24679036.46 22182908.63 22816088.83 20567738.49 24067515.68 17334591.75 12897205.89 14779503.64 37193524.87 38829150.29 43468263.1 34716046.74 31880806.07 90259399.22 96216250.7 97547075.46 99209482.78 104878341.3 78913882.52 70673583.42 77375129.78 47282877.04 44395076.3 128778260.7 133408539.2 129587201.3 99943841.6 96149289.33 114343376.1 118103708.3 125657811.5 103891080.5 109978975.3 100848046.4 107693883.1 74441670.91 65961666.49 69488314.25 128821714.3 142948907 131692022 93644416.9 108679488.1 proline_m+3 84943014.69 87572560.84 100060178.5 92134321.34 89722804.62 85575258.58 100772638.7 76570593.68 55474777.74 63195686.95 163043726 170379469.8 189339406.6 149919566.3 139620698.8 285887399.5 299476253.5 299109221 305555233.8 318475562.1 257121871.8 235015746.7 256692528.4 163300013.3 152681967.9 391004968.8 406128864.2 392137354.3 315639128.1 297249735.3 379670835.9 386434784.7 411701818.9 353534481.9 366768769.1 352616483.8 373529435.2 275338062 257691560.8 260624772.3 439337934.5 475218316.2 450394072.3 327846465.1 383359849.9 proline_m+4 78371273.86 84728941.81 87147800.13 81379739.47 82533271.13 69006394.24 79931146.25 54018812.56 38611160.59 45341055.98 57832800.68 61925985.01 67369514.09 51594762.56 47755811.65 52992821.5 54358813.55 55821531.56 56435402.61 59245262.53 42648539.83 38903131.51 43052399.88 25524576.34 24454845.8 54188578.12 55857927.25 53817237.32 42630719.81 40846137.09 83608144.84 84748181.17 90741183.62 76408513.31 78303375.1 73502265.55 76684242.77 55627843.36 49189806.45 52545328.76 70870893.17 76933029.69 74576072.74 52495077.34 62220660.26 proline_m+5 1764640823 1909286930 1956845975 1819722898 1841037759 1544117656 1814179406 1218240494 877286059.1 1010355872 1167796729 1253064914 1359871566 1039005621 966509750.4 1051279389 1090957887 1109349985 1111323231 1173558564 849665603.6 769428242.6 857789425.1 514567477 489674085.3 991222767.2 1022549686 990907946.6 785510025 742010035.8 1682146069 1723450093 1843271836 1569962322 1606778493 1455405387 1524953388 1113939641 1002338901 1037153516 1327280939 1417663348 1377425806 979444500.1 1155616729 pyroglutamate_m+0 27478744.39 26974485.12 26911622.93 23945503.73 23861537.1 24851850.7 26048432.38 20723512.2 17655819.31 16460168.65 20668563.72 19228353.65 24933422.14 24134658.85 23880282.49 21979025.82 19150746.76 18126097.77 17852368.24 20120725.74 24784402.21 26982772.04 25596887.88 16236039.93 9852875.92 23165281.74 24766676.67 29149032.73 25748465 22306715.92 19397457.24 18746166.84 21306691.23 20840898.35 19477257.34 23269102.49 19265236.73 14793603.25 14565916.55 15972409.58 19905613.58 28446292.09 29438580.87 27764669.3 22292230.47 pyroglutamate_m+1 1410419.837 1429191.658 1446889.534 1262879.983 1322682.173 1440866.326 1387893.987 1188804.208 899415.8471 883141.5687 1323504.232 1323134.474 1549267.332 1537572.339 1483044.401 1573624.161 1520267.785 1369804.407 1447806.888 1507050.544 1781990.15 1936746.482 1883190.922 1178302.618 836353.5555 2303709.765 2435956.98 2565012.581 2389224.636 2082033.952 1368692.471 1225501.53 1462053.455 1357458.195 1422724.81 1606374.112 1379562.328 1038023.54 1048068.147 1137977.203 1780661.952 2357995.273 2316320.497 2133616.791 1894911.21 pyroglutamate_m+2 127175.2112 142095.1351 165464.6594 183361.1579 175204.757 198091.35 184420.7007 128549.9296 52391.16534 108063.7803 364088.3268 439968.9816 504981.0535 359302.2873 402929.7841 455691.352 463408.1747 513073.588 517264.5209 554947.7837 480183.5436 422245.9091 490359.7033 246974.5108 249514.674 700318.65 736094.6231 723610.8096 611847.7118 571345.1804 497456.2777 452195.4962 481437.5482 447310.4166 515638.4502 359023.2319 427193.0463 325847.6244 211859.8494 319730.0047 605490.36 707731.813 679353.8829 509298.4936 545358.6069 pyroglutamate_m+3 958373.3233 979467.7752 1124179.399 1052025.124 1031034.53 1092833.959 1270539.878 1001666.388 668061.2507 752849.7846 2532093.861 2548558.598 2704448.143 2299408.098 2141113.329 1634339.457 1820656.291 1719458.238 1953604.035 1871303.721 1840253.448 1598497.785 1706940.675 1090514.152 1078910.166 2475910.6 2607478.961 2693503.284 2289387.682 1997114.256 1963240.032 1802894.806 1912437.102 1883067.046 1953119.537 1631124.226 1722074.781 1341745.352 1301755.702 1380417.486 2566120.015 2624372.493 2545125.149 1970161.351 2361874.404 pyroglutamate_m+4 1638465.284 1655832.041 1604233.431 1604927.095 1575554.669 1451726.213 1721620.299 1231592.599 930007.6104 834450.8966 1358987.729 1418715.397 1499492.591 1287142.477 1164482.057 675189.2793 657582.7669 681758.8731 615940.1103 648839.4122 660671.1197 557649.8615 554745.3273 419655.1474 319055.3415 726601.25 676388.8876 736474.8713 622995.433 545345.3783 783832.3274 741361.5753 790051.7392 754240.3418 762328.5449 810430.5961 633552.5635 506033.8331 551464.4298 503480.7614 738525.887 937315.0223 763797.3755 622958.6281 653254.5131 pyroglutamate_m+5 40659222.98 41955122.95 43024046.06 38173544.36 38018317.74 37589914.77 42753182.58 31342941.24 25113947.73 22664267.41 30754701.46 32017117.61 34226781.25 30149433.1 28155670.22 17370900.85 17093417.94 16167725.59 17076718.62 16642590.2 17949504.11 15310569.89 15132457.17 11600695.86 9446871.522 17511678.59 18402909.94 17846976.84 16491715.05 14465549.18 19452686.58 19224286.77 19907335.1 19256221.08 19809361.63 20399699.52 17489830.23 13574895.43 13634217.28 15442633.57 18849178.65 23664665.91 17796458.35 15880190.38 16985461.91 S-(2-succinyl)cysteine_m+0 438764.9584 456488.5297 504029.4204 465098.3525 426898.9093 409397.8971 431811.8395 303785.801 235221.6526 206599.7648 367990.7697 405970.9564 518384.0176 380495.4191 349199.0354 177641.26 198161.4505 188968.5471 192062.3174 196124.7011 185479.2702 145146.3152 163260.984 95037.4269 85250.25364 208034.205 226515.0222 213256.7501 146271.6846 146966.1099 182856.0022 212546.8969 215403.8254 186320.689 199530.5087 195161.3785 191772.033 138623.8586 100299.2873 124869.9616 211921.09 213588.911 203267.1698 138901.4298 152455.8278 S-(2-succinyl)cysteine_m+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-(2-succinyl)cysteine_m+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-(2-Succinyl)glutathione_m+0 5242121.646 5577864.062 5805211.222 5462285.489 5272876.229 4961353.423 5408268.46 3639881.093 2927331.901 2798371.612 4751515.01 5109684.609 5613998.383 4656353.133 4386705.685 1399762.682 1383749.492 1441595.461 1538758.412 1541168.908 1203173.638 1108464.958 1262472.935 651115.2203 638361.8325 1522317.732 1677236.905 1749294.627 1257133.012 1245821.052 1719848.105 1781317.624 1929534.896 1608349.631 1632456.476 1572890.757 1739264.627 1131789.375 941619.245 936959.6614 1702414.927 1933155.842 1751898.167 1229420.371 1463986.449 S-(2-Succinyl)glutathione_m+1 716718.244 756646.4284 840250.6391 767139.1905 727382.8098 707686.0348 768816.0955 480967.9692 428927.2894 377980.776 718018.4712 757114.6292 785102.1113 720468.8774 706418.8928 199509.8119 224178.1178 262978.3803 222090.3937 252800.1262 155408.4285 136984.9907 170650.1509 100420.2438 102094.8704 269680.5797 288370.033 255414.1736 175962.8684 184916.0816 288294.4316 218679.417 297377.8505 242482.7368 264448.3526 211044.2278 236433.8768 160120.7668 133233.8549 130719.1965 282058.9994 306296.1517 237589.7418 167524.0775 205987.5056 S-(2-Succinyl)glutathione_m+2 160365.4012 161751.1906 175050.8112 148264.1186 107944.2928 126520.9036 170474.9448 76566.18378 85551.702 51116.29871 175247.3187 237053.758 229109.1883 161357.1737 167851.3136 56521.28572 50783.79682 62747.73696 75227.54474 79533.36704 55008.16389 49532.60343 59641.04497 13509.03189 6817.622184 115061.5231 109040.7017 100623.124 71397.02642 44915.0826 36551.15041 71210.64269 90621.656 55000.89607 57236.70019 44803.78173 85237.76838 45329.91255 23106.57792 23347.22224 92881.02308 99603.41778 72375.891 35332.52374 67296.19961 S-(2-Succinyl)glutathione_m+3 307933.656 308942.6899 338273.4061 292206.4214 306869.6296 223452.9512 270877.4663 145479.3962 106933.405 129208.2653 129277.7103 148537.1039 171612.5451 152917.3401 114356.4112 42663.43538 33794.17704 57462.17888 53355.481 56953.66622 20747.20556 14798.04643 11897.95055 6842.879866 0 37124.60331 40196.04998 16201.53094 13695.20243 0 122660.7216 96510.76631 77865.31448 73251.28943 39728.75681 20908.17322 34818.76632 0 13266.17481 9324.200099 47480.87986 30038.86365 9813.490427 30075.25747 20876.85065 S-(2-Succinyl)glutathione_m+4 842900.7259 783600.6396 908246.403 843346.7323 812426.919 752771.2829 871868.6638 480784.7767 458453.926 349801.8139 707446.7542 793224.6542 869959.5615 683934.1831 690814.7151 195620.0264 167348.341 193694.0922 206480.412 203380.9846 129050.5653 111593.0979 142701.6904 59863.42855 67637.74112 177849.1056 137878.1202 180287.3456 142223.3328 99467.52587 231010.2827 283852.0378 277508.2858 222158.3898 212116.6593 220087.5205 242728.534 136682.5392 106646.3507 122022.5662 218163.0518 252896.2202 234377.4082 129970.7718 170957.6164 S-(2-Succinyl)glutathione_m+5 91853.12992 138313.5957 143020.701 120761.5047 120335.6705 126468.2923 126730.7835 85033.87816 67839.40258 53984.1347 140856.7179 121653.3636 148568.4469 98202.07533 95081.30674 32746.467 27975.73973 21967.36464 48814.95287 27999.62318 14221.04241 7016.570643 19899.09527 5232.342063 0 48107.58349 6254.674989 31026.85986 13936.31479 14816.66919 92747.98425 68078.52916 68465.95294 62627.66634 49067.42782 48728.0765 52822.67272 23807.87091 8958.059743 14883.46143 58684.07537 45601.19318 27226.1276 29043.06779 22725.47849 S-lactoylglutathione_m+0 422051.7344 453264.0666 583858.407 497461.685 532490.277 383141.0701 521544.0371 311903.8595 178708.7436 180862.6295 530237.0481 447571.5467 532844.2699 463184.4815 419838.9163 553466.611 717460.1326 683427.0352 697595.6262 722001.203 576326.9065 406696.4008 523605.6853 215355.2575 206339.5515 1049564.081 1155994.03 1042774.096 707164.3726 482314.9784 944988.1616 921626.4835 1034007.913 757038.801 958754.8782 694601.6985 831301.1665 408331.4532 336488.7181 451542.2498 987869.5003 1246089.825 973491.0736 638745.6817 778364.7994 S-lactoylglutathione_m+5 705554.8081 843557.099 940417.0825 810692.0316 786928.5176 666513.4809 867019.5527 523180.1356 386505.5035 386550.3595 681905.7283 844277.827 855003.8147 732924.9078 650214.3853 782632.8859 891568.7239 859267.4035 931630.512 977183.5177 711012.0377 643513.6627 697347.8022 372404.6847 388371.9443 1055299.353 1032930.753 998284.0498 893535.6494 673325.6377 1219733.815 1263640.164 1295665.421 1104356.577 1133852.624 994841.9377 1185773.706 693604.4736 540031.2141 660754.4621 1223874.962 1284774.67 1160641.184 793930.1716 1117382.024 succinate_m+0 2905388.74 2548294.304 3237318.524 1955763.396 1931902.736 2627035.577 2178339.486 2304441.569 1825621.937 1377322.051 2885333.567 2735337.066 2585796.854 3257810.969 2747149.77 1802791.541 1447096.248 1201294.943 1196656.469 4812436.51 2497250.213 2164877.861 1650594.55 1808844.865 1129366.591 2867615.869 2807009.848 3057313.579 3005125.01 2956095.514 1096895.727 1268049.736 1854475.405 990984.7619 1449443.494 2496453.347 2744251.702 1321880.557 1132196.781 1592060.131 1578146.963 2779710.147 1340815.17 1547305.501 2534785.046 succinate_m+2 286901.6132 342347.2291 354436.5363 335685.3316 317179.8146 319958.5619 380179.9399 267256.6326 201047.1956 211062.1527 1906586.315 2228043.784 2280777.3 1932617.439 1602750.535 478166.7875 528379.6551 498524.6688 485120.2641 610889.7628 505172.21 399455.2284 445534.0611 230662.0722 223554.9319 1403167.785 1337533.793 1349432.735 1110110.924 1003487.669 397378.3229 493610.0177 445883.0225 388471.9297 418118.8246 498029.06 534980.7474 284991.0789 254133.979 278470.9616 1009486.536 1206375.389 966504.8915 722911.141 790563.8402 succinate_m+3 272156.6081 292648.8054 219124.1932 219864.3 227834.8662 189697.0522 246027.0457 117673.2594 89682.73884 141979.042 611647.7442 711798.3556 666770.5833 617660.4308 493808.6999 56709.9266 46243.13087 75727.80154 56691.8335 63995.57652 47363.64615 23964.68157 53055.18548 23966.29551 0 151555.4735 176411.0962 120849.9662 105615.127 89927.70636 92246.53182 78025.67719 46970.92456 33004.80031 29270.45405 53589.80861 62817.22581 26404.60002 5839.438125 23123.67613 124400.0607 177473.5913 128445.6114 77429.33829 105557.8821 succinate_m+4 7062830.155 7884427.246 7663293.06 7251358.297 7278860.389 6193766.917 7516858.325 4668591.159 3495286.144 4105989.983 14151301.18 16548231.72 16050222.04 13070671.88 12363953.49 1714043.058 1973086.473 1921328.574 1953460.956 2081807.243 1523771.168 1359121.861 1518738.615 899043.9442 942503.6027 3799518.892 3670971.342 3551380.073 3019946.78 2614327.349 1914970.849 2077581.144 2014300.589 1802168.146 1864023.199 2064868.317 2276523 1397482.677 1072618.633 1240151.007 3215016.178 3590464.11 3309041.997 2247530.126 2562567.532 succinylcarnitine_m+0 483714.0015 434979.7357 479925.4031 529084.5954 441848.8911 429663.5477 592836.6865 413011.5104 330995.533 363383.1753 608987.4052 635555.0903 748683.6747 587594.1022 590390.3197 1306262.814 1580765.115 1377085.642 1559494.778 1718056.424 1381531.209 1141944.851 1252617.791 773316.537 717602.317 2341765.026 2418034.478 2343610.323 1807426.325 1684569.676 2304260.984 2441667.603 2423123.958 1977171.624 2157265.726 2044154.821 2421745.277 1298528.348 1310895.134 1203188.973 2867447.885 2990210.692 2559269.663 1908490.997 2156484.913 succinylcarnitine_m+1 7430.59212 16363.81755 23885.9199 6702.078869 30044.32949 0 0 0 0 0 91093.62639 78593.75011 109251.0218 72787.09109 56890.26986 433113.7662 461441.4252 438883.2198 528616.1559 509557.1435 472078.9881 348022.0123 368031.4734 206018.5009 183373.7328 1070697.494 1138250.35 1167782.41 818804.6855 717522.8714 495718.6605 532395.555 583882.2112 484867.3996 501778.7216 514322.0073 593476.2741 294621.2087 315698.5946 328980.1758 1116197.933 1165309.463 1041583.599 774171.2773 788519.3861 succinylcarnitine_m+2 23670.75581 53219.40612 74156.96003 66313.83389 61097.45754 0 0 0 0 0 316786.7525 291475.4843 449194.5804 351786.7562 240520.2745 861419.4219 915442.6823 866261.6954 996387.3677 1116181.726 858577.8505 693402.696 747981.6384 404204.3056 367718.8725 1587485.129 1682605.129 1584215.37 1197323.469 1178751.147 1217576.728 1262644.223 1322805.442 1013879.892 1165205.313 1095812.883 1318025.06 711139.3697 668427.6859 644985.6204 1967766.024 2176643.095 1815509.213 1358673.539 1516173.921 succinylcarnitine_m+3 18510.34311 25715.74524 57294.48896 10058.55335 34791.89347 0 0 0 0 0 78643.86184 137780.7621 97193.25066 66764.77295 57402.09622 130951.6719 165653.1193 165710.9356 148580.1345 171050.1264 136271.9383 115851.737 95333.71518 59942.4581 41409.55852 233933.3717 270677.0537 240292.3512 178268.3014 137483.1947 277715.155 302478.1861 307179.3264 221058.3819 224811.7686 256417.8877 279563.3526 150287.0851 147446.547 121827.0454 392923.2673 425553.0071 333534.6053 238219.1899 307291.3176 succinylcarnitine_m+4 1648556.032 1761683.581 2050986.047 1761526.667 1836940.86 1568958.936 1943865.088 1166260.623 729445.1053 837439.6781 2156274.43 2488492.411 2635126.523 2041589.296 1871599.361 2603011.362 2830824.88 2649237.885 2743126.102 3122642.361 2079638.763 1827869.827 1857491.03 1104385.94 969749.1575 3386648.826 3444220.397 3369130.982 2419497.282 2300623.696 4621104.693 4905872.586 4809850.687 3844956.45 4369660.402 3902918.928 4398326.438 2425327.878 2193123.701 2236327.489 5074281.566 5531884.146 5037218.463 3347536.287 4091030.454 UDP_m+0 29726610.91 34971453.42 38883662.95 33026399.98 34090248.99 33364591.89 42910085.92 30614026.49 20755796.28 21497689.27 34585782.49 39509781.18 43343740.56 32049177.58 28766729.74 23828746.35 27289241.72 27449184.83 26938762.82 27709238.41 34141294.07 30850687.14 34291746.19 19617265.72 19897499.21 47941092.63 53808096.11 52280345.04 42842113.96 36950764.73 27179577.58 30203451.42 34278571.08 27427961.96 30072632.83 29281318.25 30056295.31 25307334.39 22345540.79 23559493.38 37365155.78 40494606.6 38548358.19 33377503 34900974.27 UDP_m+1 3024836.225 3378335.476 4010288.256 3298396.503 3534967.688 3404764.201 4332042.444 3222039.233 2052020.477 2209893.614 3808615.531 4197575.399 4779473.058 3538569.636 3097234.049 2928417.946 3307535.559 3379154.978 3282850.35 3609099.865 4055720.648 3693137.027 3904014.584 2195509.163 2178954.788 6296319.311 7059283.263 7089584.3 5442169.222 4579352.586 3273970.981 3441114.707 3973207.933 3122528.372 3425436.313 3332465.881 3406496.287 2615421.083 2404109.551 2478339.137 4739363.598 5083411.975 4753798 3722096.054 4150437.032 UDP_m+2 1064937.952 1261221.239 1468631.251 1182521.19 1239854.139 1173298.539 1518597.793 998375.6738 628237.6585 621786.6821 1141079.108 1374272.143 1652331.107 1157125.241 888422.303 1076113.494 1387244.016 1434585.478 1258045.654 1487342.15 1193504.824 1112351.569 1270802.49 527361.3781 553246.9092 2000909.185 2289948.541 2250580.804 1622900.387 1379782.378 1272251.962 1384230.008 1598572.944 1078775.022 1199753.336 1057978.98 1162981.928 728920.2228 532657.4719 647215.4072 1433446.385 1673315.44 1494265.083 1042246.628 1171929.603 UDP_m+3 3492830.318 3990570.24 4442727.623 3817938.924 3898666.772 3908969.09 4680283.292 3252903.096 1883942.996 1907745.333 4019877.311 4682058.998 5455499.615 3532813.557 3070225.948 2877126.178 3239819.999 3317253.679 3205386.009 3640655.812 2852418.682 2351413.752 2648699.71 1292786.268 1117070.78 4438562.714 4932490.778 4958577.539 3230795.122 2876597.948 3090011.191 3755475.209 4087969.206 2569868.771 3091848.749 2738666.31 2991364.874 1565165.447 1341717.018 1453687.408 3368054.546 4018193.748 3774231.478 2151754.399 2636186.211 UDP-GlcNac_m+0 127053078.2 126810578.2 149422875.5 132835557.1 138163611.4 111180889.6 139270297.1 90964932.66 59475891.09 64629105 116108546.4 134304048.1 144626981.5 109514223.5 103832102.6 68525675.41 78739210.8 74792378.22 77367848.08 79655611.08 70668584.03 63098835.6 70548848.87 38373299.53 36769169.14 89295709.74 91837347.66 93575954.03 75084235.21 63594668.27 95606278.73 96669921.04 98311943.33 93910304.68 96566682.07 89458379.26 93508176.13 70023318.68 60417219.78 68345028.58 103282011.9 108050635.2 96986326.97 78306929.65 93844632.01 UDP-GlcNac_m+1 26260775.25 26247838.93 31333166.7 27539319.61 28418619.58 22956834.59 28492690.08 18765034.45 12358342.14 13131299.7 25235709.25 28944352.06 31374805.89 23407236.91 22352410.13 14917134.46 17583128.35 16604045.24 16935985.1 17478970.96 14812858.05 13297911.42 15059094.39 7678874.003 7502206.119 20170592.56 20925266.21 20923916.8 16438601.99 13839732.67 20296745.93 20573506.58 21330474.95 19682930.13 20360267.44 18883243.9 19778817.35 14426652.09 12029414.74 13739266.06 22994674.89 24053279.34 21482526.47 16310045.4 19981729.93 UDP-GlcNac_m+2 77449265.52 79003586.21 89311619.32 81019016.17 83923891.16 58065810.87 73786430.75 46044053.94 29486067.04 31594291.43 29514334.91 34152185.98 37138586.11 26895103.97 25491929.87 15370698.25 17993504.56 16834999.59 17129590.8 18373720.56 13021841.96 11196762.07 13224527.03 6304193.664 6115482.899 11508672.78 12273187.74 12305319.71 9023725.566 7747816.083 22469168.78 23132268.05 23831050.37 21122558.62 21966921.56 17832811.63 19248017.33 13202559.52 11035494.08 12647054.22 14255840.2 15181057.93 13585416.07 9567678.434 11861382.7 UDP-GlcNac_m+3 26013600.34 25721779.77 31556490.86 26717599.81 28041050.54 20913100.46 25447266.76 16401947.73 9763736.758 10490071.69 16942418.56 18604191.38 22324633.47 15279304.4 14073138.19 9540177.521 10819921.23 10370556.53 10507104.37 11636719.32 6716583.578 5550095.479 6722711.858 2833901.022 2725317.005 8238221.65 8485122.455 8732582.713 5962251.953 4875423.61 12612920.05 13160388.06 13985800 11106135.3 11364695.65 9609016.707 10919399.9 5767923.794 4375618.337 5059985.394 9819041.76 10951473.33 9796717.84 5463250.252 7437751.128 UDP-GlcNac_m+4 6635316.893 6480005.625 7689408.049 7032328.88 7042616.414 5098341.09 6251436.138 3824257.484 2358157.621 2613316.976 3388423.404 3905462.191 4475928.627 3072236.923 2871163.698 1967213.235 2262541.107 2208663.566 2001942.666 2333826.547 1398408.441 1137080.578 1314330.213 544866.4505 531188.8436 1455240.787 1523065.671 1623060.901 1047872.355 888255.3827 2601222.425 2863115.222 2934533.497 2191610.972 2333575.609 1871642.969 2198500.202 1068250.262 872795.8991 1045875.194 1762386.397 2003565.249 1776693.28 956458.5577 1322500.029 UDP-GlcNac_m+5 7975200.43 7451367.452 9348152.725 8120030.766 8188240.141 5625691.643 6872132.678 4222793.513 2502367.363 2596675.118 2768443.662 3053815.403 3858536.663 2342175.105 2224013.892 1306762.857 1650202.446 1538987.599 1449648.04 1639730.583 803590.4338 598880.4493 799284.6367 276753.4066 262259.7194 666396.5782 663537.8435 719838.1545 426274.1562 388775.2681 1884322.155 2000182.961 2115066.397 1448336.63 1615604.261 1181292.424 1478765.244 670208.2726 486774.2269 566722.7562 854106.4101 1001448.458 820450.9148 434768.4536 628218.1558 UDP-GlcNac_m+6 1135931.044 1062970.148 1333342.385 1066166.346 1091397.767 739530.6344 919348.6669 527987.4038 318389.9428 298620.0451 380494.0216 416624.5446 492048.8368 323106.199 292824.9287 157747.0701 175232.7161 172804.1141 202244.2111 175794.6388 77147.17062 0 0 0 0 0 0 0 0 0 238605.4597 295383.1255 285051.052 192711.3365 236171.8174 170879.2556 167633.9714 50151.42537 39738.37843 55646.76209 111529.7701 73389.29994 73033.59741 20527.6179 48263.65859 UDP-GlcNac_m+7 338845.4395 328681.8883 349554.4114 393428.4109 336506.3909 272034.7329 287399.0317 203371.7527 94964.92344 120641.7484 86508.00953 123428.4864 134904.4252 90056.79438 78270.77147 13634.71613 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25386.25727 25786.90547 24075.62574 27015.2305 31417.63779 0 0 0 0 0 0 0 0 0 0 UDP-glucose_m+0 145028197.4 154152915.7 161422993.2 150685603.3 152064844 127351347.6 158543042.6 107793767.5 73628559.62 81818733.06 107946510 117361056.3 131280454.7 105104181 103142581.7 113432534.4 121864170.8 117181076.6 119965950.9 124694403.4 114259197.8 98550760.33 108553945.9 66951783.41 66703389.81 115888165.8 121537210.7 129574543.1 104866406.8 91557890.96 133215503.3 138719373.4 142237917 129433961.4 137670977 126589066.7 136898405.8 105855131.8 92145065.38 103193036.7 124369110.2 129492519.7 120371827.8 95563906.68 115176900.6 UDP-glucose_m+1 25087055.28 26813109.38 27865440.4 26164477.29 26332871.42 21766795.95 27260766.56 19021651.16 12575030.64 13985343.21 19022275.38 21190112.56 23852712.43 19060050.17 18348528.25 22340742.35 24119252.71 23007972.72 23809024.89 24793817.37 21755800.15 18767227.79 20563931.32 12392967.08 12417599.08 23345726.83 25122183.7 26654575.06 20618501.34 18004260.81 24702315.71 25868922.72 27171091.33 24164854.07 25875700.92 23581217.42 25739290.5 18811106.62 16490092.96 18676251.93 23824444.46 25623064.34 23828366.99 17831418.26 21520004.14 UDP-glucose_m+2 9189739.753 9559311.307 10467526.5 9722449.382 9532118.162 7912355.261 9855155.357 6496916.889 4202541.124 4729051.916 6882001.552 7391476.385 8333870.862 6559092.879 6301775.644 8871985.194 9760177.073 9404200.818 9351661.152 9844417.943 7582308.292 6252168.417 6953868.003 3863239.654 3699018.581 8099489.048 8446471.045 9156952.933 6872553.797 5761807.048 9828005.095 10189698.18 10962411.92 9088925.429 9554503.676 8548926.38 9384712.915 6153328.221 5066601.59 5871658.541 8296233.132 8870140.746 8288231.097 5529482.486 7059266.304 UDP-glucose_m+3 16794277.38 17387367.74 19583114.74 17517481.55 17314630.96 14527853.93 17196352.44 11575439.67 6949390.486 7680873.624 12426368.8 13318379.4 16763007.25 11989275.74 11418180.07 14082249.19 15004544.55 14597204.24 14319248.29 15909294.3 9123991.822 7156355.839 8822229.262 4015874.75 3909380.11 10111452.24 10896393.88 11853152.3 7717235.761 6826159.808 15250217.09 16004499.13 17501948.26 12263028.29 14082138.13 11428652.92 13629027.82 6791320.459 5009401.564 5766878.042 11130455.38 12467654.16 11376351.6 6005934.379 8344182.86 UDP-glucose_m+4 2269293.881 2304866.989 2523188.138 2260824.692 2297036.591 1893251.033 2289641.295 1475490.467 865406.549 1021600.189 1702050.105 1775903.923 2247968.115 1570325.578 1546607.106 1819558.277 2012524.472 1951643.919 1817584.743 2138367.797 1190732.551 971728.3644 1136808.866 513301.3175 485430.8345 1334897.812 1375987.481 1552016.963 1028454.586 840279.8939 1889028.945 2095728.496 2360550.762 1672244.032 1928948.552 1600346.1 1804044.438 859117.3884 652010.9018 738285.9581 1493494.417 1540942.043 1413150.171 829210.322 1072599.715 UDP-glucose_m+5 643011.3066 529599.1199 643747.2494 602440.4294 655572.1673 491829.8999 630640.954 379371.8921 237763.3423 265902.6489 532360.7775 458514.1183 603753.8555 426848.6435 415910.4391 473812.6983 512253.3679 528512.7659 543806.0106 611922.5011 269843.9552 231010.5053 306428.3342 76336.71844 128000.7484 327378.2586 363465.0041 374441.5978 279804.9549 181877.5633 551521.9457 631746.7388 715009.7446 450244.403 465453.7625 371010.6282 498858.0666 230005.9762 176124.2228 193461.9522 404792.9914 445582.3201 395523.8846 214778.2774 298652.4901 UDP-glucuronate_m+0 10157288.14 13947237.9 14000108.35 12903493.21 13789232.92 10886523.2 16636812.35 10063815.99 6489484.454 6565797.536 13154972.59 14630118.5 16609234.27 10388386.98 8860480.645 13826605.14 18572727.37 19364939.93 19533512.17 22763393.06 20855869.91 17790508.11 20459656 9262915.552 9021640.153 34370702.52 40709441.63 38248806.01 23838243.75 20370815.13 21488730.96 31608168.82 40685729.18 25710435.6 30693630.28 24685501.28 29800065.04 19090273.49 14487265.76 15599734.6 33886220.98 49927369.62 38268698.18 26919255.79 29369430.82 UDP-glucuronate_m+1 1748822.734 2344681.492 2394852.554 2193791.195 2342501.452 1833949.693 2879270.711 1678633.457 1028182.125 1037745.667 2203989.114 2541573.332 2854769.052 1838966.198 1586057.624 2514146.181 3368062.432 3676312.016 3673807.389 4271699.978 3898356.715 3032566.247 3718021.957 1679444.72 1525423.35 6577069.251 7902104.725 7312084.65 4531533.993 3724348.327 3909510.881 5815228.983 7389666.44 4654281.479 5476851.957 4450052.022 5465327.908 3292613.359 2498951.058 2674913.876 6441438.08 9305993.765 7174957.761 4758965.22 5219296.432 UDP-glucuronate_m+2 609337.1471 931135.7742 841289.0756 783063.1189 851640.3918 676163.5094 953273.1189 599066.6266 367743.116 364614.7657 796671.1821 903528.4578 1034816.908 624916.7162 533534.8638 952842.2622 1231031.083 1428674.621 1315044.353 1626809.642 1306816.337 1081476.728 1281279.958 460602.0194 540531.2232 2199355.552 2602112.21 2553299.717 1468657.586 1220533.732 1325555.371 2101181.422 2759421.989 1601639.618 1911252.263 1500102.791 1806745.545 1018810.096 740798.312 792189.1961 2074493.24 2991751.891 2373370.393 1505450.296 1694913.718 UDP-glucuronate_m+3 1148076.669 1482355.176 1586570.689 1333507.472 1432909.13 1127915.555 1668130.074 1019660.575 570671.1628 587830.7736 1325813.632 1475079.06 1899639.321 1116020.854 839056.066 1333883.997 1778080.573 1866819.797 1868528.505 2337670.294 1382535.386 1010157.945 1319060.277 415989.3749 416761.6057 2285530.562 2853806.216 2787754.525 1427361.19 1194738.11 1775729.12 2764976.222 3691998.69 1891502.555 2179109.276 1597125.344 2064515.621 941347.5707 599358.2213 698262.2742 2213879.874 3410341.847 2678678.365 1358924.018 1543390.302 UDP-glucuronate_m+4 102061.5533 163310.8626 188948.3045 177937.7831 190545.1987 140351.9929 198361.3631 138233.0605 72610.40609 50520.81227 163319.0062 173772.0752 240387.5389 134598.552 68735.43556 155530.5963 240653.5744 253305.1799 246949.6338 281809.508 168711.13 110349.5753 130444.8087 7639.50795 17785.14258 236372.9121 360102.262 377207.7283 172624.1586 133920.5742 213172.0632 355563.216 504458.2249 173956.6398 250118.9079 195173.9044 272811.1206 97120.95916 44210.07589 48669.61379 310527.0906 443551.2197 356028.3775 118745.4968 205059.1642 UTP_m+0 39571598.11 49685975.94 54675216.8 43000276.37 47785520.38 46178810.47 61378005.77 41559089.65 27254529.57 27615484.19 47539519.04 56721782.87 62913666.33 43737400.35 36892813.39 31452443.4 36066290.17 36263585.83 35740717.26 37296215.03 44227582.95 38874590.7 43759927.27 23723496.72 22940722.1 65986159.11 69997990.69 69672031.95 52883879.55 46709584.98 32542916.77 37426615.35 44113421.77 33800879.48 37685580.33 36545981.19 39059238.45 29674101.67 26092395.01 27665255.71 47121117.11 55430920.35 51233755.68 42922843.63 45317041.89 UTP_m+1 3525435.626 4673236.799 5126995.363 3940559.669 4361351.281 4499836.888 6022097.235 3887791.752 2441522.26 2499514.744 4814798.816 5959680.418 6469394.259 4353844.548 3646930.401 3551588.431 4031760.937 4167013.462 4045311.289 4263160.161 4962475.753 4022840.701 4912292.249 2263403.088 2173969.151 8330350.5 8824006.528 8926593.795 6287972.063 5359459.531 3504343.189 4014761.701 4760343.512 3431084.902 3911868.051 3877048.874 4103419.075 2840225.173 2456561.556 2628727.131 5286238.641 6744835.396 5865023.298 4619877.475 4900838.894 UTP_m+2 1532221.457 2013603.129 2326476.158 1665349.854 1985717.235 1891167.903 2451246.664 1570225.781 897693.5653 870180.698 1899651.211 2292333.949 2752729.977 1701932.028 1308463.27 1574136.535 1855641.022 1955258.895 1712595.112 2094109.865 1836104.845 1376300.949 1625406.722 634455.2015 614563.033 3167469.817 3337538.764 3341432.876 2168722.369 1975793.149 1445904.306 1854150.034 2202890.349 1375773.234 1656398.716 1452900.161 1647243.975 771815.1241 645462.5343 746409.5756 1925174.454 2548549.338 2138006.107 1473330.691 1662345.885 UTP_m+3 4272477.888 5351113.671 6215556.997 4582113.151 5027666.374 4971543.462 6395961.463 4178481.641 2068303.348 2239393.136 5111014.025 6189758.468 7739472.612 4488496.546 3519259.826 3598936.534 4110366.817 4179509.951 3972104.78 4631998.651 3252546.484 2629849.078 3232548.862 1045860.604 1001911.428 5746918.516 6057132.537 6215187.756 3636213.678 3109212.053 3399049.225 4269231.747 4755054.237 2934924.232 3501800.418 3043356.311 3643860.512 1507873.126 1231771.088 1204667.704 4012055.032 5163153.968 4716539.281 2414236.733 2971520.464 1-Methylnicotinamide 1415263385 1528037788 1583872341 1452360350 1424872801 1255133951 1517067187 981119765.4 662455683.6 728818497.5 1252804443 1350262545 1466315001 1158858016 1058972072 1073645591 1156735734 1134281653 1197298209 1242793531 1002823056 884359911.3 913227850.9 543682899.1 502580127.1 1227644661 1272964274 1264271407 989575426.8 889674765.2 1576025396 1681500040 1699996659 1459167155 1559422063 1375920184 1501643122 955698985.8 818357976.5 913348971.9 1495381750 1602447323 1438013090 1039022502 1246030968 2/3-phosphoglycerate 25121000.71 29182184.91 30322645.79 25524376.83 29055520.59 27900817.02 33378383.73 22035806.56 13870590.62 15465188.66 27033454.92 31005888.5 33334314.11 21793592.89 21192064.48 42899528.2 47841096.93 43186483.66 45142067.09 45515005.14 32033126.41 32530882.26 33499713.58 15376842.33 14535109.84 49597124.57 55150992.03 53026426.65 33134251.16 32096475.36 56577321.79 57052539.94 57946897.78 45734853.02 52242779.83 43573276.44 50932676.81 30101558.21 23945891.81 29260982.19 46805840.48 50506949.18 46559085.46 28237006.3 36873059.33 4-hydroxyphenyllactate 954093.9393 993807.1909 924787.7525 818347.0957 818104.4922 935001.5787 964051.4134 789099.0801 533266.2632 522668.221 1116003.183 1196303.749 1258102.188 1110295.325 932110.2424 645852.5736 682025.4838 648365.2807 642007.5678 684300.8624 743680.7111 633677.1842 588922.3084 421648.9949 379664.3329 942556.8676 833530.735 902835.7728 736713.488 674270.9211 684044.061 670971.1394 689799.0657 680010.4258 703799.1717 763384.2845 669973.6534 428901.4317 468792.2211 528196.3504 727729.1124 878759.174 647362.8394 534677.4652 577975.0306 4-hydroxyproline 66583757.51 61938604.95 65480752.66 55000985.37 59509358.22 64619118.77 65375163.75 55242133.4 48780004.08 44954510.99 58863512.64 59794043.41 62565325.91 57796574.07 56380847.9 20955784.15 17902293.89 17839979.27 17436345.16 18301695.98 23722074.21 22539317.41 20625068.47 18199446.12 13889364.43 18754186.46 20886572.03 19133589.65 22358127.83 19889670.71 22251534.54 21582414.84 21645757.67 23186778.68 22588313.32 25504586.71 20406995.21 21876442.84 23162304.04 24801095.9 21788259.52 24428569.7 21449737.62 23315967.42 23824871.11 adenosine 7766311.519 9670788.891 9363454.628 7087244.398 7363560.796 12015704.22 16008833.74 9729156.16 5477717.83 7187150.949 6729589.364 10435856.71 10074972.15 5413781.801 6469230.39 11014127.1 11483799.12 10110878.42 10588559.1 9697574.246 7719810.791 5836909.819 6940830.207 3436331.324 4288487.722 15568870.72 13542099.76 12491832.5 7878514.314 7028879.917 7760473.865 9033370.982 8551610.017 6608897.275 5925795.106 7545311.856 9630898.323 6661156.905 4906484.212 5303730.962 6158152.374 11694770.51 11021523.84 4958954.332 5988252.946 ADP 46131625.22 48719223.7 54107643.99 46706467.49 49726788.02 50339265.96 57680964.17 42399760.33 28370521.9 30777306.31 50268334.5 57716863.29 62522385.74 50182435.49 48427356.56 46030000.87 48559373 47396376.8 47405794.78 50945730.21 46817134.37 42930096.54 46790358.89 27689998.69 27036104.44 65239135.23 72479178.03 74981539.69 58458508.63 51846566.3 48435181.47 52135793.32 55683620.16 43806277.46 49286260.05 47846027.7 51617685.08 35426697.15 30962269.57 33595033.4 59980978.45 61896132.59 58453025.8 43393994.75 52301554.28 ADP-ribose 1955251.42 2143900.831 2495871.971 2114574.106 2541384.832 2014592.582 2408600.651 2001951.268 1462964.889 1466242.302 2077556.037 2055876.65 2213295 2007635.711 1764348.832 1957784.605 2140177.829 2043336.173 2112472.559 2247610.931 1784861.179 1809742.244 1863448.407 1252634.318 1273662.017 2316213.794 2209611.352 2343546.911 1875307.505 1688754.797 2527501.393 2275503.258 2612661.993 2111460.606 2388207.142 1951491.455 2333396.509 1546936.276 1659544.917 1742201.015 2277337.02 2345524.2 2246036.933 2065251.589 2072479.569 AICA ribonucleotide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 allantoin 6410787.28 5674556.725 5647111.621 4905839.215 4920355.758 6444135.961 5858255.088 5360964.828 4420670.657 3807404.985 3070815.902 4461646.956 5459730.222 5106925.883 3691835.077 4451214.174 4019664.721 4237939.568 4192671.19 3718628.04 5409938.738 4907625.888 4438005.976 2987506.753 1910232.838 3158313.357 3897465.187 4579424.494 4877432.893 4214309.026 4355481.092 4425082.305 4761148.398 4781657.281 4813163.048 4097932.641 3581254.842 2299099.232 2422450.797 2465417.686 4206063.575 5674673.895 4070670.902 4208308.695 4050611.683 aminoimidazole ribotide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AMP 16994455.51 18019629.05 19052850.57 17292853.99 17205961.78 18061505.34 20064081.21 16783367.75 12841917.32 13473170.13 18847777.34 20396995.19 21126406.69 18407279.19 18175484.44 17225309.32 18039594.47 17279761.64 17551016.27 18571040.15 17837726.01 16864276.86 17975315.48 12614199.4 12508658.37 22763788.66 24194163.15 24334571.63 21055807.47 19600414.69 17712578.26 19354528.03 19792897.63 16946631.99 18395602.09 17443300.6 18744137.73 14620199.53 12997995.15 14190163.83 20970927.7 21920422.32 20903913.45 17177824.27 19440699.33 arginine 263604565.6 240725307.6 241951964.4 201189775.9 196402024.1 236348721.6 241356222.9 208247591.3 196928326.9 146001981 166209753.6 165048767 197696137.3 212160820.8 175542552.9 179950239.8 158698188.7 146196504.7 151341534.4 136809341 204689063.8 202119331.9 155282527.2 149081562.1 94553775.52 188839379.8 192322327.7 181386917.8 191938628 164701939.8 163626924.3 164285747.2 169816720.5 169045615.2 171317850.1 245245492.5 178427379.4 147760952.6 170839499.3 179105587.9 176272199.6 276066291.9 166489895.2 182173568.1 171010965.2 ATP 172516883.1 214598823.3 242183819.4 189442229.5 213433689 205210136.1 273059649.6 183520293.2 109701710.9 113626955.6 235505695.9 271212676.4 311876673.4 208221849.3 174307168.2 152574537.2 183170923.2 186822246.2 181234447.2 197570340.3 195482514.2 164443554.4 192555519.6 89952359.68 88095738.82 315315619.1 351607644.7 348954109.8 237681919.3 207520765.9 162835925.3 191674604.7 228870408.1 157547398.4 179209395.6 164042406.8 184624056.3 115341454.1 94760535.34 103108599.8 223414808 279748556.6 247385570.8 171114097.8 192571477.3 beta-alanine 57868297.05 55582615.09 57657747.46 50517125.59 53289142.26 50869062.79 53166440.12 43442750.43 31923386.54 35978661.83 49096719.17 55310043.88 54158159.31 47220049.92 43687584.01 36500049.74 36139416.84 36394400.67 36101680.2 37549407.99 39881207.7 34375797.48 36496009.14 25620432.78 21562684.26 40797783.46 35220748.87 37534346.42 35804407.7 33865204.83 40666673.55 41628014.52 41657436.47 38524114.09 42633454.04 41160718.83 40955310.35 32027693.38 32957596.1 31089537.92 39663791.55 35091451.91 37636142.04 32661271.17 33857925.21 Betaine 1271945994 1268738321 1368274887 1131780339 1127305930 1186663268 1264608037 910313356 707858649.3 623959527.5 1023776232 1050863619 1232334592 1039987640 909831215.8 737608559.7 717612086.6 714737320.3 716824478.3 752487799.9 792422391.8 667447935.9 625707411 439003768.6 317565138.4 834078269.3 802781824.3 809096098 679528862.1 600987846.8 758476252 759572025.5 810821330.6 709445057.8 752641116 868245792.1 718650823.4 470496165.5 471545231.8 506497172.3 711373875 921202603.9 670278843.9 550442249.3 585038458.8 C5-carnitine 5136026.635 4066193.258 4884369.188 4002627.418 4119122.136 3902745.471 3882280.018 3088095.968 2512299.94 2416301.59 4569516.481 4484995.055 4719130.143 4332216.349 3724033.172 15049649.34 15106427.94 14515993.72 15986748.61 18263137.84 12476563.25 9562745.201 10370535.8 6018220.028 5638428.042 10058560.69 9162530.707 9461564.562 7724204.89 7050312.156 33096177.4 31458524.48 31095352.95 29414297.32 34272999.75 21207972.82 23577176.83 13955533.72 12209229.79 13758773.34 10286549.85 9737977.056 9297193.311 7271794.074 7984063.73 cAMP 742643.3961 826991.6568 792983.1471 752491.6114 809525.9729 489059.0659 729861.9438 390558.4909 222998.7213 327269.0398 613743.7216 557114.2945 727144.1116 563182.8589 569202.3033 556877.7399 622064.5329 537226.0828 609005.7654 623511.7729 530706.9583 444995.1905 632173.3014 352861.9284 320203.5251 579343.4915 656760.1066 629685.3767 528233.3019 479104.8129 622693.1563 678076.2252 661666.9642 593625.7335 661584.5096 536801.8928 580538.3353 340941.0245 315509.5084 398553.7085 520331.2605 686843.6348 504111.1106 467990.8605 539567.5052 Carnosine 13573015.69 12050126.86 11175244.91 9119575.936 8521348.325 13375593.56 11833817.2 11205976.09 12641634.69 8401718.946 8280694.653 7443223.437 9518728.276 11058146.9 9150696.995 8600565.344 6410463.695 5938831.988 5875494.465 4964183.122 10418310.13 10415660.93 7141331.612 8483066.302 4960453.005 8152930.563 8009996.752 7904671.695 9832667.752 8622840.513 6343940.227 5975323.862 6589099.487 6444076.61 7246830.52 13339150.74 6659578.475 6437355.094 8902519.087 8928086.883 7171432.946 13380013.62 6643315.709 9037779.962 7229066.264 Choline 78790730.21 88529190.45 93896707.03 71833123.5 69911846.57 73684431.08 86132222.42 54384692.12 37837116.31 33175377.43 44674399.43 55847103.99 68010891.67 43559011.96 40479789.81 55499149.87 56812889.18 58067260.91 50933231.4 50133922.75 47061343.21 42592739.4 38760209.67 27462948.63 19696889.77 58502450.46 58314408.49 49363553.61 44864895.17 35173789.37 78743715.23 93019115.65 89244963.16 71748758.36 67346633.25 89776677.49 97157372.48 54746377.18 47751033.51 53500317.37 57090744.18 94179162.19 69279061.79 43681543.31 46904529.29 citrulline 104313603.2 100928807 104334993.1 85455010.19 85554545.44 103488797.6 96446756.35 97641030.53 95642419.61 76806221.71 86868750.08 80593285.77 92654578.66 94838374.36 85226600.56 75700404.01 68463812.43 66437168.49 64806945.06 66011761.75 90180206.8 88367835.05 75812955.98 75187976.22 53797544.08 82882826.98 82143103.14 80884453.79 84725274.69 76426873.99 94030734.04 95333036.7 94886639.7 94468364.19 99715002.76 125088478.2 96406449.13 90249939.06 98164503.33 100405448.6 103675464.3 126071590.6 97562899.39 104546547.4 100421783.5 CMP 3031845.297 3209756.33 3479362.638 3071872.439 3325488.584 2756142.237 3315933.168 1876133.267 1019671.739 1288911.259 2170964.889 2731980.903 2612066.231 2099927.778 1824631.047 1616799.778 1944785.429 1611563.204 1730327.67 2303611.366 1414627.764 1045423.381 1349213.989 597985.4156 605132.1701 1561979.927 1583083.45 1871290.958 1321326.154 1112804.677 2731538.331 2827599.996 2558847.155 1850757.868 2515344.793 1965882.882 2057179.459 1008170.633 949738.4245 972492.3941 1735498.941 1525614.174 1438273.209 1042085.566 1448815.263 Creatine 6735247250 7157994902 7384965547 7002069908 7046270064 6245701990 7045385905 5067051397 3792718666 4219787207 6598218896 7000450428 7159917741 6224759445 6010086301 6228483048 6573483799 6255387432 6426720532 6754272351 5828840697 5416004834 5307690220 3854373379 3281972869 6767149486 6685400867 6786809461 5765419488 5521117993 8801894176 8890492960 9076030221 8083002921 8654492795 7901110384 8567278232 6062837583 5402783771 5711038294 8138163748 8717834351 7854267743 6410868751 7190249113 Creatinine 575951400.2 550987165.9 581539807.6 505848442.2 491210307.1 552238761.6 576700258.2 447664415.3 385333191 306818219.2 413037171.9 406856904.7 492963655.6 456748965.8 411204483.9 407462693.9 397838685.2 365481217 372234355.1 379389102.1 437663434 405192187.9 350771023.4 281096615.1 195082129.3 441971634.7 447756658.2 431384428.4 397499880.2 361533469.1 391854142.8 400049944.1 407024421.8 380463146.7 398454360.8 500025054.9 391729676 276515907.6 297795041.7 318686528.9 387119163.7 553117518.4 370376131.7 341868410.4 348363154.5 cyclic ADP-ribose 9961912.67 10244553.14 12119806.04 10593253.85 11204057.21 9489496.663 11173587.62 7838917.146 5494299.401 5835777.042 9339993.036 9926772.106 11457681.59 9363911.389 8469663.17 10459877.29 10903066.78 10756979.83 11275895.21 11006461.44 9047375.194 7931958.554 8945989.775 5390863.118 5303748.422 11819115.8 12688600.17 12090874.35 9601202.324 8983107.976 13448453.09 13012948.49 13897706.16 12061912.01 13341146.28 11250547.82 12387559.6 8215941.03 7313773.786 8466632.046 12719506.02 14062124.49 12370713.71 9600068.535 11197525.24 cystathionine 3226633.858 3186732.223 3426160.674 2795496.758 3112085.336 2879638.138 3124184.229 2393103.093 1689541.469 1744194.353 2838785.788 2932449.506 3151619.531 2562972.792 2417557.522 657185.9073 659197.99 660067.8907 682991.4407 681993.47 595466.6263 483212.2916 557560.1179 330901.6099 272644.2729 659562.6406 696046.3517 720829.9186 568781.7192 481123.7959 769232.5945 726293.0199 713062.1292 651034.0535 657688.3375 642422.6694 695229.6539 481225.1642 353681.0556 401782.3007 666697.7215 659751.7813 649827.0715 415571.5857 521433.9133 cytidine 935194.0318 858560.4704 841565.8307 827635.7601 642311.584 1014505.081 917188.3645 1175722.579 1238151.027 822292.6448 754552.9729 722091.0785 938958.5925 1077978.148 832856.5994 696024.2793 612339.5007 505205.8852 565037.4063 594590.7605 1358943.663 1255762.111 920184.1602 1220533.209 770284.626 813013.4679 679718.4563 834699.7272 1012696.675 972354.3305 728773.0298 706103.3964 662214.4865 717827.8409 744190.305 1213117.33 773442.9826 681983.1654 1160031.433 1055317.189 962723.7502 1184594.521 727359.7155 1063531.443 806054.3855 cytosine 1605659.758 1665665.096 1770355.76 1205561.598 1233471.552 1758042.702 1883956.53 1306456.232 1054973.841 986081.373 1438538.591 1458257.443 1779780.256 1366218.128 1226526.316 2158300.616 2169611.982 1939939.18 1908444.506 2085960.367 2147608.544 2092155.525 2234999.996 1322478.784 919436.7596 3370493.475 3542266.95 3109411.828 2529935.341 2293138.741 2292782.127 2270809.165 2317689.768 1858656.445 2061053.136 2248425.05 2122154.978 1404206.882 1192432.84 1505601.012 2779430.433 2970004.18 2315594.802 1960269.694 2173173.569 dCTP 602702.2357 727862.6162 789050.2275 602954.1039 679871.624 619095.4897 859739.5688 703657.2897 342207.6217 386410.7988 821189.6102 910151.5582 1086710.578 670851.0857 599229.143 314352.4503 398969.9176 469905.5682 443746.1086 429107.2526 531860.889 418181.8051 485845.2708 227020.0784 220882.3585 809226.8986 889079.3106 842489.0206 596778.6855 571445.1041 426303.573 515315.7337 551540.1164 434343.3306 526043.9795 491473.7275 518231.0793 387057.8171 306559.3087 261811.3865 635211.7528 827169.4154 745845.842 501138.8826 616680.3355 deoxyadenosine 282664.8558 294023.3863 305139.9713 260239.8133 306260.0032 379584.0856 349111.3149 293062.7572 155464.4958 265661.017 338345.619 274525.6078 336724.0978 262725.4259 251291.7854 311815.8845 337003.8896 255792.3375 320836.1325 257688.4297 331146.4166 248199.7087 343950.2133 198650.1273 152888.1668 350214.5332 458312.267 440191.6782 289590.3017 287889.1962 452377.5935 495081.7005 465721.8568 335836.0462 382616.0644 349584.8415 389408.9118 275899.2333 179018.5191 211990.7717 541577.5344 459008.3819 375391.4011 315634.227 291721.7252 deoxycarnitine 3390753.925 3541094.56 3516740.066 3375193.689 3244170.407 2763332.147 3282682.414 2283558.844 1524336 1740012.23 2753203.175 2742073.275 3064031.594 2727347.921 2512281.054 3278029.305 3600508.15 3680772.47 3308102.961 3854044.209 2969562.673 2563994.884 2857151.854 1830534.287 1475171.934 3644929.211 3341436.217 3570851.549 2646489.949 2376007.754 3691128.31 3618446.078 3987891.403 3514810.541 3608688.133 3482028.619 3560398.957 2023496.51 2000115.695 2066780.694 3311191.234 3580465.784 3047709.636 2228525.27 2702583.266 deoxycytidine 1047444.695 1274935.267 1184888.494 967918.408 989231.3695 1102565.142 1267943.803 857649.9957 561073.839 601356.0573 1275180.976 1172333.718 1263136.377 1052745.979 1023518.327 1170414.229 1164614.61 996475.0305 1001519.953 1136794.095 1073871.217 1038718.372 1116065.293 551880.9513 450036.8878 1744466.143 1689617.251 1666115.857 1239045.238 1165278.436 1525518.028 1567858.108 1600148.32 1315254.171 1399911.307 1383603.63 1462315.972 886594.138 728246.8627 833594.7609 1812505.905 1981585.834 1711825.687 1368977.674 1473587.454 diethanolamine 437369925.5 87552335.28 62812151.07 40983719.34 38472011.11 552769506.7 60848182.39 35964626.49 37812117.13 39337046.03 382282169.6 47754215.41 33603927.79 58366131.74 40192108.92 567354236.3 101346264.1 42722881.6 39888460.05 39445765.33 301890068.6 50841204.67 36045716.61 31494637.31 179961506.7 443854099.9 85568911.98 47389062.85 53197726.38 44278950.74 420914726.8 72868267.63 42285807.75 38251574.26 36059304.58 473159641.8 72314542.82 43902944.1 41492677.39 36938176.55 224080758 44477197.67 38011081.25 203007580 42462421.34 dihydroxyacetone phosphate 21184667.08 21904792.86 23203322.24 22418241.43 22346436.9 20475694.08 23560856.6 17950691 14031111.8 13185549.07 18034642.85 17493631.07 18056097.93 17199214.66 15909957.75 15370943.45 17800588.73 17008850.71 17947064.97 18808429.8 14512141.96 12581996.13 14153292.67 6577206.876 6037533.59 17508758.29 17012732.86 16679446.36 14748730.73 12576853.32 23841396.43 22941698.35 21360038.06 19554382.62 20902245.89 20137233.76 20138854.42 13092029.25 11295448.38 12538999.46 18712209.75 17504644 13676898.41 13370964.59 15779318.99 Dodecyl sulfate 11691065.34 10742360.33 15269762.03 18390793.44 56535401.97 11210994.27 19406561.47 5353062.562 3257669.423 15850905.66 9525964.14 8192021.301 10302578.73 10354403.84 27368634.65 18331214.8 9941398.83 4456980.995 5963092.185 5099966.379 10427462.09 4178500.439 11360848.93 14550238.39 7222525.487 8337063.719 5962197.02 21895360.18 16056176.84 7572434.613 4466349.533 8769891.653 6583532.428 10224888.4 4342320.908 6183835.579 7715871.472 9167228.115 3824816.865 3846131.173 7809420.746 5952898.829 31481066.46 11231008.23 19139474.37 epsilon-(gamma-Glutamyl)-lysine 114278.3277 122470.6039 160458.936 126551.4574 138718.1278 123539.8311 107939.1577 79208.0016 26922.41821 31118.69252 104059.4623 91625.56807 99209.83811 90241.06067 102957.7298 113200.4813 130170.4531 118854.4783 162565.8893 125287.4349 224343.9729 143026.5039 115815.6205 91341.5591 103007.2816 140749.8856 171705.5734 185982.6812 144193.3242 109122.858 170504.4629 144689.6873 172088.6653 188393.9935 166757.4771 151126.7449 162193.0661 119653.2899 123611.6246 165582.3841 184080.2611 196163.5327 131861.2366 177571.9097 180516.7893 erythritol 707220.2908 762128.2951 739147.0347 587768.4718 641386.9055 649150.7832 706215.755 470166.7939 392844.6097 310808.7115 479557.4048 530044.101 577231.4466 515786.6935 457239.3435 509448.0015 510917.6782 447379.5735 523505.8199 473510.6759 545131.5495 442279.4334 396531.2008 284377.406 189402.7239 522748.8073 500777.7625 494608.2609 439003.066 398775.2062 561787.0179 542911.8408 570580.9664 486813.5307 544748.5017 571513.8762 561894.3556 351833.3886 366241.4557 344635.0934 515901.1863 637758.9033 460349.4375 408417.0835 396437.6598 FAD 370235.581 256868.738 385916.4903 166124.1796 254945.6203 171176.5005 153889.541 143574.4924 39559.34488 68722.88373 224041.7614 235477.1331 254891.3922 230934.29 124953.6596 385959.2996 275406.0154 221578.7177 211238.6481 204506.0242 423876.4928 376649.1552 275129.141 98887.25286 107400.3447 360618.0862 413847.1004 346967.2395 443289.1059 372996.084 364167.8497 427861.9469 228727.2372 194543.1495 325800.7776 214829.744 318592.2151 193030.5847 179547.407 235108.1591 474440.7185 526709.8596 388319.9123 332575.6698 335269.4209 fructose bisphosphate 22154184.27 24814330.55 26065856.05 20542464.11 25553704.99 23356515.35 25785444.62 20491087.19 13314816.57 15365768.72 17370896.23 21018205.78 21461213.5 19394864.6 15818759.28 22115057.86 23292317.4 21124467.99 22833807.04 21663771.18 20262093.33 19691564.01 18437474.97 13093219.31 11310766.78 26119443.59 23553885.27 24586910.89 20848877.34 19522479.95 24682083.83 24589134.24 26535205.93 22261550.76 25402697.41 23625956.43 23962447.1 15210442.35 17348788.62 16767860.17 20936278.14 20806687.57 20477208.39 19941981.46 21392793.45 GDP 5751372.912 6647779.02 8069480.569 6221682.854 6797603.113 7859136.886 9080665.886 6468309.208 4225391.97 4220513.207 8918859.74 10038649.6 10962039.34 7516264.359 6195863.073 5580953.237 5869792.031 6156238.352 5798177.308 6167779.609 7472812.32 6410395.566 7403384.823 3745168.623 3488098.254 13596039.45 14290576.79 15000881.09 10410321.82 9247501.03 6255628.892 6167129.453 7188044.609 5225488.24 6250975.878 6097671.506 6596425.732 4493960.316 3826764.854 4162765.253 8660926.047 9631523.728 9172009.117 7146854.459 7727273.046 glucosamine 6-phosphate 10904596.24 11353663.11 12520315.84 11470526.67 11376723.88 8861439.849 10476461.98 8082721.218 6450133.868 6512699.801 7786633.843 8290247.967 8840456.039 6939262.336 7270065.757 2937682.115 3188715.13 3012245.103 3376477.232 3310028.159 2243670.793 2206556.884 2333482.196 1243283.044 1291237.645 2579815.815 2763179.106 2731232.702 2082615.299 1909588.663 4035980.845 4254385.091 4150560.483 3416140.94 3776093.569 3119254.193 3448365.173 2545163.795 2027378.624 2379815.204 2951036.38 3644700.911 3035756.026 2285731.659 2692824.968 glucuronate 1586543.049 1683817.409 1617381 1500885.426 1520139.616 1439517.169 1432935.188 1423688.892 1194510.328 1095078.116 1622082.929 1670936.529 1738660.415 1558131.715 1443777.075 4453306.629 4529104.319 4275015.607 4447132.444 4560135.923 2841320.219 2698854.474 2920476.805 2238860.704 2111466.415 3151872.891 2881104.214 2972776.398 2634923.324 2788489.802 3580726.99 3823726.628 3747575.071 3576356.054 3695076.246 2434166.522 2404383.429 2030896.934 2022065.376 1911817.337 2362330.039 2338544.299 2243735.055 1915282.665 2141022.755 glyceraldehyde 3-phosphate 9493834.028 10168469.02 10583108.93 9443103.947 9788190.731 8234377.686 9968457.941 6787516.778 4833230.282 4790093.144 11694585.15 13251397.14 13580217.89 11077982.09 10476416.97 12827999.91 13499065.58 13530020.85 14124495.17 15295460.94 11999977.83 9488436.08 11128131.12 6150469.165 5825937.493 19490575.01 20793699.21 19526241.34 14613403.19 13787536.24 12052561.55 12571668.68 12848929.99 10481334.73 11312908.59 9521916.282 11232158.97 6985641.275 5939385.026 6399437.066 14859124.89 16846024.17 14564874.16 9912323.91 12088770.66 glycerol 2-phosphate 54916582.58 57342240.95 69234426.64 60123013.47 57619403.7 37649998.95 41472103.12 30829086.18 20613020.42 21609557.97 27902702.96 27717784.84 36099643.37 26677150.43 22789422.06 32760502.93 33089716.54 36570389.67 38473271.43 35943494.33 26601590.37 24178890.59 27158168.31 16235417.91 15354875.51 29473946.35 32876948.49 33390471.26 24533654.37 22857396.62 30727146.99 30769353.05 37147896.39 30809755.17 30582840.7 25937037.02 27294433.69 20812567.73 16552091.37 17989318.65 25757932.6 28465186.37 28429947.04 18893659.3 22443082.79 glycerol 3-phosphate 7773830.392 9225838.151 9649424.205 8127527.459 8849985.599 5444922.908 6794595.979 3789353.999 2443288.404 2358841.396 5981572.579 6524651.337 7690282.419 5072067.817 4742006.833 4380200.388 4522835.982 4226381.363 4729902.469 5012044.163 3061024.562 2691718.949 3003213.142 1608431.56 1470869.862 4585615.666 5066043.841 4745954.348 3487687.856 3144700.82 7147801.62 7746788.633 8050061.169 6586777.287 6665802.5 7122326.242 8055922.522 4714331.872 3717706.579 4277245.506 7073497.681 7912048.291 6677749.286 4329268.849 5860226.919 glycerylphosphorylcholine 4825422157 4863000855 5618570569 4815582495 4660294039 3445852454 3516141552 2653897812 1722654302 1724264798 2283364212 2213148823 2981963280 2188038736 1785019699 3343076049 3327792255 3566279987 3756956021 3613280136 2823899448 2484427335 2677884412 1645669104 1308079285 3269882476 3301196991 3449284647 2566806384 2309689439 2810359932 2824611935 3295511218 2695877680 2793230935 2501572771 2457860666 1726177111 1460575462 1564019398 2361877005 2793652364 2487184432 1687273446 1899452424 Glycine 3737046.535 3240149.657 3388369.243 2974833.33 2993675.934 3287161.641 3310536.985 3038040.881 2472717.253 2430095.321 3826730.589 3806841.636 4019148.407 3883499.155 3758803.381 438381.728 310650.1446 350459.1189 378061.8514 432857.1047 566433.2325 528365.3417 414210.4058 496432.9422 431871.8961 523286.5382 605766.7007 520577.4315 692192.6346 524617.993 698178.8595 696586.917 737978.9133 619608.2485 671348.1724 894147.3311 785424.2614 709909.1682 815640.3409 808163.0315 789866.8618 986624.1575 641932.1998 962351.6968 919403.3892 GMP 1463426.28 1526655.734 1813780.415 1684719.324 1674169.247 1829899.577 1976868.378 1642714.646 1065921.715 1124545.441 2064827.047 2197518.514 2459384.797 1776833.718 1591181.084 1463536.893 1532359.43 1523938.374 1596286.517 1664519.434 1887593.262 1665520.693 1871858.764 1014565.784 980333.9143 2843489.428 2903001.054 3180644.947 2529776.335 2213252 1573102.132 1504913.739 1800036.587 1380619.002 1572615.629 1489311.889 1691664.938 1237448.969 1113437.197 1161662.295 2080359.009 2040461.638 2092733.542 1678093.972 1705467.189 GTP 5590033.171 6679684.624 8220375.018 6077390.052 7049318.323 8164079.598 9658432.222 7336822.403 4420970.267 4512072.985 8894115.389 10453214.94 12231033.85 8052083.719 6291502.677 5543109.293 5980715.02 6265403.595 5896032.509 6429755.157 7413328.119 6439095.326 7764327.681 3639519.019 3645203.322 14353902.31 15294101.1 16033132.29 10698655.97 9548264.364 6267111.259 6126147.64 7404635.031 5187665.416 5936770.753 5880337.445 6281661.922 4308580.831 3791220.047 4251926.213 8444099.817 10154001.46 9175425.598 7225996.677 7285413.583 hexanoylcarnitine 3058908.692 2194465.515 2200914.404 2082996.649 1723627.786 2124487.672 1892868.774 1542720.577 1435219.438 1224436.725 2489118.114 2346612.987 2119021.099 2616119.435 2361154.792 2692493.727 2021345.324 1962433.947 2215288.776 2089111.766 3778258.223 2566608.987 2363338.541 2515384.252 2436088.331 5394745.533 4254418.426 3879508.203 4000140.934 3934976.86 2264374.651 1817221.072 1601022.874 1465848.389 1570000.477 2384730.296 1843049.772 1389502.627 1641025.304 1389224.863 4562107.71 2991599.733 2386097.273 2649175.614 2688895.06 hexitol 38529896.97 35363333.28 32942043.17 30552885.8 32068785.85 35615480.57 36582306.97 27870691.83 19571380.25 22551363.65 31053188.33 40016542.94 42676500.06 38569095.8 38331097.95 31585369.05 31133568.27 28382284.51 29189814.42 32357927.08 26761974.69 26045611.93 25695014.95 19205462.29 16471391.83 25757136.92 26809902.16 28348786.41 26317843.73 25528576.5 47571098.96 48680702.81 51749517.65 44607020.13 44507335.74 50469652.25 49111455.47 34983268.11 34040412.14 34521008.8 45810059.19 44266959.14 45463266.83 32217450.75 40792524.34 hexose phosphate 11353783.16 11478945.34 12155172.3 12647185.58 13817771.5 9992345.357 11495534.42 8092008.103 6342278.62 6384941.939 10830756.94 11473468.6 12621985.46 12478816.8 11533060.34 9076602.074 9387789.688 9694672.527 10327517.78 11061270.35 11069409.57 7949161.361 8340948.268 7757537.192 7086945.589 11554321.02 10704756.96 10479208.85 16390889.53 12672612.18 10679486.92 10148402.2 10766628.6 11035045.62 11747171.36 12545886.96 12007762.43 7956256.39 9447515.415 9119513.44 12231382.29 11975548.43 11512029.3 13032677.12 13445745.63 histidine 21616820.14 19301387.98 17435788.53 14854476.8 15696000.37 20268827.24 16956997.94 15324622.97 14025386.14 12531237.42 14957253.6 16518304.84 16335362.26 16034069.71 15287323.1 12028208.31 10331749.73 9459336.196 9315432.168 9645047.36 13459312.54 13009839.31 10394353.28 10313258.88 6823527.273 10954036.18 9951504.066 10520515.7 11195692.4 10545271.73 11771840.47 11868423.25 12035297.05 12167387.22 12245434.23 17590577.77 12689316.19 10948259.79 12841131.39 12845877.66 12678552.5 16041441.89 12478908.7 12296676.38 12421839 homoarginine 2982112.57 2769505.718 2914717.55 2301766.875 2160987.538 2590148.706 2844260.874 2227537.678 1935663.358 1452061.653 1926333.459 1869877.577 2186124.564 2330991.329 1930084.273 2206412.813 2105319.363 1874520.489 2021608.925 1912863.765 2287079.444 2126488.848 1697140.223 1480246.19 909442.1579 2272407.668 2268632.991 2180399.515 2036004.838 1786075.451 2197936.31 2200362.901 2290888.293 2137240.415 2252294.971 2942998.315 2284718.687 1611232.476 1719841.034 1970157.47 2107387.639 3210664.241 1974733.959 1922989.318 1936795.159 hydroxybutyrylcarnitine 24375096.98 25342075.26 27824163.85 24079387.81 24468976.54 22278450.17 26007200.94 17063682.1 11914146.93 12326311 21067859.5 22110939.85 25676774.44 19238569.9 17431346.54 42068445.59 45284533.86 44887296.95 46960862.42 50318115.94 39034755.64 31934910.58 35031000.48 19865767.05 17521460.37 41025042.45 41070042.24 41732130.9 29959374.85 26893819.33 41895895.89 43950569.75 46261965.19 36812253.23 41003717.47 37252813.96 41357555.12 23653724.73 20596620.07 22120675.37 33254265.68 35618988 31638298.15 21218012.48 25998713.97 hypoxanthine 9068232.258 7569863.555 7177697.099 5745804.579 5401791.849 8994735.641 8183125.544 9621084.39 11155424.44 6356680.327 5841773.103 4847352.545 6188524.827 9029902.025 6730467.104 2976254.176 2268611.064 2055103.697 1884522.698 1333565.225 6115679.267 6960156.454 4366894.246 6547525.523 3058553.517 3245040.09 2710526.24 2689957.451 5324887.625 4532331.979 1242491.672 1133848.009 1157967.2 2027507.144 1846927.649 5371775.604 2192973.888 3575796.841 5533844.477 5513368.851 2035794.804 6368520.176 2020626.505 4773879.612 2834187.299 IMP 435397.5048 404498.6606 430314.1661 362395.5226 372132.4022 401290.4779 511732.4675 326164.2588 192937.3365 259892.7331 384468.2606 426322.2324 421024.6179 303208.107 357989.637 452315.8433 457324.9038 496841.4826 427361.6601 492036.9632 369807.6947 375450.2102 324389.3103 198910.3637 193011.0157 547848.7681 608720.7926 556223.7574 416667.284 318394.4298 470853.1602 484564.6146 426480.2629 394413.695 388921.2381 514117.6981 551164.8389 330498.9713 232576.2467 340302.1036 397761.6811 411338.3417 367050.4548 249121.2639 346548.5951 inosine 318647.3037 285178.324 295066.7509 301733.1028 284450.9242 311832.0659 354212.1501 334075.1265 346070.0692 230604.7751 272723.5088 245598.3356 213659.8895 313284.6318 256144.9614 310441.2987 271959.0013 297836.2023 313873.113 235552.6152 410919.9412 381650.0102 353044.3053 319949.7853 234746.6844 344929.5739 270014.5918 309134.6349 416749.379 301529.6369 221381.6742 213544.666 244957.5575 258583.1078 246846.542 417170.9903 377986.1326 337493.2045 396735.546 352455.909 305862.0964 350255.6234 268399.8384 369095.956 336207.1238 Inositol 71109992.17 66138698.73 61431552.69 63804297.53 54466001.41 52187838.9 48177900.3 45879433.47 38027407.06 44003746.03 53664205.9 52907614.85 58248077.53 54061697.88 53611089.88 145427227.9 137442489.3 132839973 137553659.7 148934738.6 114430545.6 104835067.7 113600233.9 84129285.97 75666949.14 124661766.3 119338875 121754075.5 114546262.5 110686483.6 137107439.2 146854340.2 148698578 137656197.1 132417456.1 147955403.5 137005675.4 110958757.4 109234969.1 105774608.7 131973501.2 129211448.4 123316357.9 93250299.73 112337949.1 Isoleucine 244690692.3 234954201.3 233742130.6 203428681.2 195304461.5 225893677.1 231907054.5 186649489.7 166412639.3 135486460.4 190582252.7 190465848.7 216325818.8 206956368.4 180928135.2 168628452.5 158880503.2 151368350.5 150615235.7 155451847.2 184969860.1 173324234.9 151703467 128667581.1 93028052.5 182737187.3 175750969.7 177537203.5 176691673.6 154719014.8 182724317.7 177169958.6 184303026.2 182984191.5 183436870.1 225231309.9 178643185.4 147433778.7 153827807.7 166800696.4 187190102 241136440.3 182165543.5 175501970.7 174725249.7 ketoleucine/ketoisoleucine 2123017.187 1960763.007 2109167.842 1547338.677 1375351.723 1708724.438 1769988.946 1078876.519 812127.8734 865866.3398 1041889.603 1193634.249 1403756.359 1187621.301 1099262.272 1488747.304 1323990.23 1239036.491 1321169.292 1394967.959 1394825.555 1040946.51 1109298.319 720022.2054 461235.8129 881437.1466 948161.8732 1029583.006 857622.7442 782778.475 1779740.606 1754600.297 1921954.217 1729151.204 1711643.942 1689480.647 1498628.317 1046580.893 930809.2422 1014952.819 922408.8994 1468452.48 940915.2884 785856.9158 1038959.718 ketovaline 611276.415 937625.3369 937033.588 288457.3298 744332.5617 690193.8968 662027.2475 360205.5304 135891.2327 147309.8773 583434.8749 349011.1629 422633.0957 680437.78 314035.1796 698710.3396 765636.1002 771023.1412 732469.6046 968229.2504 757435.5497 704923.2425 305984.4748 491076.5806 360456.233 729171.739 316069.9782 215797.2324 353004.7668 212620.8173 804409.5127 910711.2528 1040325.618 797814.8605 799714.6635 811855.1014 904670.4849 264105.2088 311908.6402 737384.5358 635480.1688 798731.8027 495658.2266 183349.2993 576215.4165 kynurenine 1354798.128 1137756.013 1159329.602 1296864.978 1006452.242 1184983.921 1072018.702 917383.6284 946211.3992 755943.0934 916388.0221 817518.5705 933999.1177 1035316.234 865027.4621 837295.8904 896951.8885 774130.6882 721925.1612 743349.5756 861223.2418 828218.9586 796587.1155 860988.6352 501260.9662 690399.3029 527904.1202 646357.5818 697592.1667 608756.5955 957633.3628 1058607.322 933369.0392 1138188.543 1239241.732 942474.8713 798017.527 707440.8919 751300.7745 746177.122 806125.921 954444.3749 627060.4451 784513.9943 720768.5416 L-cartinine 2238912598 2418065619 2537534212 2274145632 2335027539 1946795901 2301614700 1537655238 1054262166 1133774322 1747246420 1862797889 2091057336 1648130935 1514985889 3532761896 3826135067 3748120833 3994427450 4086243723 3211141584 2637076837 2890832255 1707220733 1535763671 3701290438 3686758558 3810508659 2827317774 2569289513 3570431544 3712918694 3934117491 3184567243 3403595429 3194573279 3349102995 2082640304 1910836917 2002651094 3007478808 3274152145 2914521705 2043821584 2402092089 leucine 271083277.4 265507849.2 269576736.5 227840595.6 226470600.5 255876948.7 273899592.9 214288523.2 193551506 148264371 215674950.5 209630360.8 250548161.5 232056010.6 211195193.3 181766656.3 172274450.5 162798652.7 160361034.5 160686105 203487399 192884367.8 168902476 139760128.7 101115433.4 201749150.1 199975018.8 198209115.2 197509734.2 175518092.6 191898079.1 187089327.5 196868718.2 197816165.1 197369014.9 243883668.6 196395118.6 165860116.6 169974352.2 180796470.9 203067237 265527577.2 195332820.9 193902980.4 194354538.5 lysine 47823381.84 43185596.14 43003024.12 35627975.69 34721163.43 39615319.46 43563484.46 35691045.27 33393289.61 23026065.55 28530199.26 28190858.84 35254168.63 37811625.81 31029524.04 30741073.32 28623477.09 25494155.01 26166223.18 25772910.13 33817432.17 32234236.29 26483171.25 23613010.88 15289079.74 31608201.98 32333261.55 31141051.91 31890121.18 27197695.6 29707476.66 29177952.27 29939265.53 30900605.84 29477622.39 43657469.24 31028834.72 23573830.66 27511925.72 30323017.68 29922293.08 48741211.89 28551727.58 30592104.71 27366118 malonylcarnitine 159369.696 142891.1847 98852.07131 143712.326 140762.396 184492.0756 146130.6649 176083.854 33951.82293 119144.6702 132642.7667 170740.0433 175400.3223 136532.3866 91159.57536 804271.6399 861440.502 736500.4923 846359.9796 901224.2997 675206.2706 511729.7262 585390.3408 332757.2179 368022.3454 785952.1769 838035.7852 867974.1725 645431.1831 670442.571 581348.0512 657043.6823 663355.22 508662.7069 639955.1337 534982.4375 611517.6342 321224.3495 319875.2973 324503.6402 547009.4027 582329.7866 544781.3158 402598.4082 479573.9043 methionine 65773906.57 63012853.7 65920898.64 55854105.87 55789210.77 60386629.32 63447077 51302492.38 44564432.74 35879639.62 51926781.81 50302850.8 59059800.41 56713163.5 50432335.97 39336480.84 37030113.78 34860114.26 35068792.19 34540711.82 43709609.35 40939791.69 36030895.82 30204636.58 21468003.13 42284603.22 40617092.41 40821292.52 42249006.77 36684142.22 42040015.38 40403617.2 42982082.59 43241750.36 42612365.35 53683760.73 41584838.87 36398487.98 37583219.24 40955088.27 43335453.86 56744135.8 40635372.22 42251950.18 41715208.06 Methionine sulfoxide 2486023.784 1652761.989 1614128.695 1592564.472 1573888.922 2755079.878 2443975.581 2017813.301 1448194.369 1628237.646 1251232.613 1778505.491 2137865.845 2533882.814 3176010 1752728.611 1611936.317 1077869.302 1026839.778 1489179.719 2114626.422 2317942.522 2158275.437 1683330.999 1340194.56 812903.9177 861103.0863 1069008.167 1653222.394 1601998.209 1782505.837 1343765.388 1612846.96 1537192.27 1540674.896 2666818.988 1750418.424 1589490.725 1569143.26 1962897.577 1548538.83 1441944.718 1275110.089 1602355.909 1514302.087 methylthioadenosine 19998184.39 18814317.43 24288331.39 22550747.81 21604761.74 15646421.67 21855548.33 14442775.86 11633408.95 10119483.16 17141669.11 17617156.81 21216548.9 17987777.68 18598235.19 18774176.59 22689746.63 21236195.92 22481588.63 21202850.48 20880450.75 19324688.86 23551186.29 12096492.59 15129494.93 19029341.62 24612592.94 24323825.98 23567630.57 19524774.28 24611313.68 21406005 22252861.01 22297520.42 22483173.12 19276960.48 21784626.46 20321259.96 13358102.49 19637019.42 22306781.86 24242488.62 20241604.53 19285375.66 24334044.66 N,N-dimethylarginine 4702794.71 4594169.1 4630341.556 3803018.557 3755746.535 4055336.06 4546349.138 3444266.271 2770376.024 2371177.014 3213560.759 3212351.332 3996494.416 3574968.556 3027318.398 3508024.436 3435277.847 3157034.943 3164798.225 3269585.293 3620106.086 3380836.469 2875530.737 2177694.93 1550063.453 3730841.668 3750357.599 3890703.439 3457172.713 2893161.517 3664780.726 3769294.517 3752631.056 3477425.997 3696826.705 4433364.025 3468034.742 2360166.392 2499750.929 2839695.627 3424337.073 4908614.436 3312985.693 3088937.874 3065964.983 N6,N6,N6-Trimethyllysine 4232346.133 4060390.402 4003279.953 3527341.99 3404582.306 3800210.754 4288575.987 2969411.661 2651432.838 2057492.255 2758516.913 2794929.387 3263423.92 3300510.941 2816572.989 3376913.439 3255991.691 2947224.439 3146520.019 3108570.49 3627595.066 3221753.224 2933265.713 2250587.179 1479692.505 3725493.383 3772180.293 3875061.37 3307146.043 2914440.555 2914224.538 3017864.983 3130037.901 2806201.885 3117232.787 3864639.067 2918855.88 1825076.013 2259345.369 2512698.587 3083412.563 4336535.737 2887017.751 2733446.098 2662642.814 N6-Methyllysine 4404519.768 3719069.096 4013311.557 3788060.018 3805384.58 3587493.37 4418582.206 2732633.889 1967966.967 1881330.658 3416749.281 3747557.764 3900681.566 3305172.645 3172591.046 6536570.583 6955220.281 5765381.927 5880066.713 6222194.685 7923740.04 5613642.196 6792056.218 2954993.893 2783185.851 7999652.437 7236645.581 7963284.699 5940586.409 5493408.496 8098990.191 6683655.314 5821337.989 8410029.724 9337893.887 9774496.655 9041511.682 4298490.272 3661674.471 4043111.291 8872947.158 6595975.952 6950295.45 4483421.274 5745954.106 N-acetylarginine 496087.8349 562803.8103 504300.842 559165.3122 469725.8017 376466.9303 508335.213 403345.8014 142441.9141 252769.7898 415815.8544 425302.2286 478240.0606 373234.803 321997.5447 166056.9523 159892.7913 166436.9487 184296.8326 226746.8931 159282.3467 122047.5916 169243.1208 68034.78739 46821.34459 238375.1502 193313.998 338071.7707 158845.0453 173382.3315 296991.831 482831.7246 308859.8735 220430.7269 184881.0178 259382.924 178419.6043 191978.0473 155745.9747 168780.4033 346718.5052 335456.1577 299764.6042 211644.3375 232357.3124 N-acetylhistidine 10313265.67 9562137.082 9103386.836 6971050.635 6846153.896 9854761.141 9918845.467 7951089.024 7544226.64 4768969.895 5983960.784 5411489.906 7595384.751 8004346.746 6451636.258 4900586.384 4108639.221 3307845.798 3218771.822 2615255.23 7149645.925 6336134.253 4273342.469 4762094.87 2188127.649 5559924.205 5176095.886 4930513.879 5726280.682 4835018.633 3299735.43 2861011.087 3155361.213 3472690.08 3397379.647 8503612.397 3764450.081 2748114.276 4440358.786 4602761.332 3667869.288 8864276.383 3299379.125 4871887.253 3813942.124 NAD 113604454.2 124372054.7 134943429.7 118816991 128482800.6 108270069.9 131126437.9 89146420.65 62383294.59 67441032.37 106940680.9 121214440.4 127552956.8 105440848.2 98126402.02 120201153 128154946.8 126167975.3 132443071.2 135224475.9 108059323.9 95784490.59 102716846.9 61717185.19 59032505.51 137644074.5 142079301.8 144050661.8 111607710.7 102454047.9 160145905.6 161051956.2 167818884 138745002.2 152493635.2 134320644.6 150111287.8 95698990.29 84794980.29 92691152.95 149610009 158298137.1 147078703.1 108703865.2 128714103.2 NADH 704989.4766 1576142.587 1029840.233 344921.965 574225.4485 1702851.399 2919449.147 1778318.722 625305.0589 976137.0067 514280.2703 906803.1515 1380202.615 211233.55 258285.1373 727033.456 1293039.052 1147207.196 805103.4289 1151423.509 439702.3693 1070530.735 1578057.063 225671.4667 179268.201 776336.7367 875229.9512 977624.6423 203755.5309 312005.1593 1479540.344 1840016.44 1577414.636 687680.8131 726938.1098 1601980.838 1809197.32 1359033.609 536456.8501 676791.8521 652242.9107 1004931.192 820300.8835 238863.8466 323066.2622 N-carbamoylaspartate 790995.5967 659245.0491 691595.5689 642151.7124 675027.1896 655386.9028 764105.7849 482990.8455 346100.5537 289939.6626 877406.9568 853700.4803 962127.9436 876558.0901 768083.7141 9489498.875 10291738.9 9946007.508 9671856.803 12609084.36 3016967.201 1984747.385 2858034.235 567905.6835 571383.5607 6910718.373 8102839.137 7450947.609 3279536.927 2987225.542 7972110.09 8355736.338 8419932.758 4673313.278 5940743.145 4124196.185 6156040.65 1229932.975 458282.6157 712495.9485 5905259.42 7718562.761 5819578.456 1235439.366 2441278.076 N-Formylmethionine 2676848.719 3028027.308 3192641.559 2527494.845 2998752.672 2214430.391 2630044.038 1952622.23 1291184.102 1367527.555 2825679.335 3273532.457 2865103.594 2321154.304 2396222.239 2342056.71 2513023.985 2210380.334 2625730.416 2818156.162 1874572.648 1781339.905 1889488.761 1126541.021 874478.3961 2876581.978 3008461.987 2313593.698 2158147.467 2203265.506 2650463.665 2878359.593 2821454.193 2244723.955 2603605.124 1981223.219 2568090.614 1439300.609 1216045.188 1771831.478 2161571.852 2969231.036 2401628.424 1791523.701 1895497.012 palmitoyl sphingomyelin 345729495.2 286721722 327760096.3 328854560.4 290947064.3 264439406.9 234928725.1 251487019.1 228930642.9 208830202.7 244263953.1 290183070.9 281294287.2 309173939.5 332639717.6 217159788.9 181272516.8 171199727.1 197144552.6 145714374.6 198689802.7 192778773 195917848 199607408.1 180384129.2 216786298.1 200985661.9 224991131.3 270621152.6 254532454.7 205475611.5 173291437 156713014.7 196544652 184943315.8 211189081.1 217290174.4 198053841.2 216974293.9 203534967.7 207709168.8 149454013.7 179523428 226224253.2 218342100 pantothenate 938771783.9 1009912251 1022788553 931561528.6 949313152.9 839895232.2 973624902.1 659064126.7 453030193.2 489072888 847649107 909704054.5 961548897.7 771333853.6 730333098.6 1771922889 1868859149 1755827289 1864222473 1948006336 1581956012 1399984392 1455003036 899957208.1 814930228.2 2092294311 2128075643 2071520841 1683477377 1548359973 1736232942 1842934501 1844873968 1594135452 1714545565 1540154590 1693029359 1078908719 974026736.7 1055560431 1762179987 1939359025 1688850339 1254087563 1510660658 pentitol 1646191.758 1693457.228 1504358.141 1567252.141 1436608.881 1383098.867 1533385.365 989263.5856 556777.9089 740250.5361 1177953.224 1159267.899 1274339.75 941466.3014 923008.1836 1160942.655 1042403.732 1034589.531 1101173.066 1188160.273 830859.2774 675467.4557 693270.676 404058.2077 336582.4515 967022.0262 920744.6549 1061520.965 727265.3867 742574.4015 1670035.09 1788167.549 1831178.205 1470017.114 1595930.079 1403606.529 1428752.902 772880.9196 758483.1891 758352.3341 1191202.723 1277321.069 1175227.099 749991.9701 892890.0307 pentose phosphate 9371516.531 10610667.69 11348326.95 9274092.136 9968543.324 8951868.058 11620964.65 6943931.82 4063437.888 4508853.976 8243092.152 9175191.173 9847777.211 7089698.005 6465203.759 8377514.032 9275675.368 8760135.306 8764939.784 9815212.458 6464500.015 5569922.232 6350656.769 2694775.317 2488398.844 9036671.506 9791625.094 9326655.076 6754146.573 5783027.685 11505946.33 11675464.71 11993512.85 8967773.538 10396761.74 8447750.705 9479590.123 5092008.084 3826371.247 4744783.155 8830287.924 8814406.232 7209821.21 4604232.123 6734491.033 phenylalanine 17546929.61 17792844.16 17343226.09 15043146.26 14979211.82 16241831.54 17835287.99 14431958.79 12017493.37 9830707.521 13785107.06 14100430.03 15526808.36 14365239.24 12413649.82 11673349.73 11810777.72 10957945.08 11098904.24 10666375.9 12806565.01 11575406.11 10517645.09 8924755.234 6231294.077 11949302.49 12316819.88 12375985.41 12521077.47 10461516.47 13355151.41 13648629.52 13863836.39 13424580.55 14290728.87 15639713.87 13371911.81 10379194.69 11330197.07 12255824.36 13669525.03 17912476.79 13322180.86 12812231.54 11547671.01 phosphocreatine 209770691.1 235736436.9 231872169.7 201275782.2 216844786.9 185850971.2 218567978.4 142109484.8 99473815.94 103317298.8 121172060.9 133651936.4 137332572.6 109383018.9 99148150.69 733352.7941 766351.6863 734809.6431 741764.3168 801049.3001 673878.4 556106.8667 622982.8326 367979.0208 345035.4292 814264.9195 806884.6145 813787.7568 660668.4213 535719.3508 2378915.425 2355139.51 2477471.252 2354094.061 2071244.727 2150793.705 2370214.198 1317806.144 1259766.894 1090217.641 2254730.49 2201364.697 1772511.988 1363828.275 1395578.349 phosphoenolpyruvate 6520232.966 7541314.26 7200781.912 6845608.657 7101622.707 7076768.165 8580104.478 5711639.202 3364791.509 4513228.349 6826707.685 8566079.256 8465901.868 5119009.54 5940460.104 11787770.4 12770558.67 11053516.5 10713487.49 11824777.55 7477292.358 8077252.403 8421288.622 3690942.401 3690415.327 9777531.351 11520918.43 11296299.87 6916187.171 7831882.688 15321256.71 15617965.97 13463518.9 12843753.68 13695358.57 10690778.59 13966765.95 9401305.421 6966196.82 8982958.952 12664462.24 12348340.54 11142387.74 6810214.601 9668944.4 phosphorylcholine 7401883636 8222478532 8248366488 7676292421 7997630715 6531767822 8340662659 4787880693 2874093292 3422766183 6476274693 7142581174 7292263014 5721136171 5221035403 4875391153 5185912508 4888388340 5412081588 5625491273 3936282517 3297258375 3637937220 1582270291 1434323041 5198645843 5581307317 5208993519 3673204633 3368475045 3397259226 3513033632 3581119738 2851160582 3202527635 2592684708 3078819748 1410786845 1084758886 1275013136 2791816014 3212112342 2709731298 1518809017 2081944968 Pyridoxal 7032392.514 6334651.498 6437001.077 5620424.228 5473941.001 6556359.781 6758437.3 5329921.1 4467114.196 3433005.415 5114413.612 4665589.514 5629388.183 5566176.335 4909232.937 3887297.82 3346414.321 2990312.5 3155535.012 2902349.315 3983894.398 3652604.779 2720181.015 2897773.083 1478506.617 4837695.532 4569128.888 4140911.058 4362733.507 3819114.444 2645380.685 2465732.217 2480816.004 2317053.216 2778564.184 5123268.796 3806920.562 2600619.123 3382128.273 3342335.372 3375646.216 5601107.804 3114173.12 3576890.019 3060986.703 pyruvate 9084490.025 9672063.998 9841247.281 6998090.791 7262464.071 8688961.92 9196843.643 6763422.875 5039800.615 4257423.326 7836929.241 7368155.218 7905998.536 8316774.736 6553716.094 6633143.62 6290466.438 6572999.216 6591355.199 6493242.493 7389329.878 6051733.397 5113132.481 4224122.782 3000288.136 9975364.729 9158608.518 8562256.412 8076234.848 6416564.037 8426140.767 7611959.114 7481671.824 7770247.244 7624691.793 10189538.2 9350881.023 5164953.012 5283809.509 5669151.35 9569241.874 13060526.36 7521398.778 7566261.489 8661227.442 S-adenosylhomocysteine 5812111.243 6131118.545 6391505.176 5625943.551 6079478.748 5073705.163 6049426.518 3654099.309 2606852.461 2772388.674 5140815.739 5594749.558 6166340.572 4998411.648 4305253.374 5688218.364 5516788.069 5478717.812 5710776.248 5511460.141 4892816.297 4410331.862 4605790.26 2608881.629 2351889.319 6573861.917 6533584.066 6702788.011 5415167.843 4850729.017 8118922.73 8146476.377 7842745.455 6760219.511 7313996.179 6584111.975 7261615.285 4470464.924 3789191.227 4249224.831 7386287.37 8055669.28 7102253.856 4962868.662 6184926.277 S-adenosylmethionine 55563689.85 56938107.91 61054006.69 52004457.45 57868035.03 54636639.46 61625823.36 50692253.67 36073939.17 39805814.38 59739045.39 65841829.92 63416180.04 58947352.41 54338532.95 78928717.34 78731097.75 74479747.2 78245366.82 78641852.28 86712562.81 78529373.7 82425122.46 49115422.29 47725591.49 94445734.23 91884484.49 91805759.98 88671262.53 84130379.01 85733978.68 80016547.3 79665962.95 75731899.28 85278410.43 82849341.84 88049417.81 63058989.07 60214866.19 65756638.19 86732691.03 85884151.58 84856050 75886588.39 88233297.57 S-allylcysteine 2435633.266 2195819.678 3431000.802 2084258.906 2932291.021 1611547.485 2564326.827 1160167.125 1581311.642 614739.9696 1553839.407 1573924.115 2749294.516 2102625.665 1668075.147 1632029.076 1872161.21 2395906.976 2045710.502 1386737.013 1573841.789 1281098.517 2060842.668 883247.0273 676013.1067 1939863.633 3077912.969 2252264.832 2152006.12 1181377.35 1335788.063 1669396.948 2268448.774 1808817.991 1086509.611 1252918.438 1638095.909 1475586.962 659424.8656 964962.4113 1434593.263 2777445.933 1324557.341 1168089.746 1505946.277 sarcosine 1165799.239 1173998.815 1181804.772 975285.9618 1030629.985 1134013.909 1126102.61 939745.0876 814205.7231 854814.086 1163780.171 1269346.128 1113286.2 1124473.11 1086714.659 970319.1613 884627.7389 857161.6195 822522.4179 868974.3385 939921.0297 903628.7775 763522.2149 808469.4599 667338.6939 989118.7053 900982.1108 915129.1739 809881.9503 859031.5127 980600.5264 1020111.655 954922.2419 960377.4938 895715.6775 941835.7629 965864.7597 787502.2852 876534.4115 820702.6619 950269.7452 1066419.567 893041.3794 928351.3084 949970.9278 sedoheptulose 7-phosphate 1618898.929 1586340.453 1609170.028 1502190.374 1633729.105 1228345.198 1478630.321 922036.3543 619186.7904 763736.4681 952826.447 1139984.948 1155795.571 932482.3972 923592.8539 997210.3982 969743.8632 848572.8631 935540.1414 1034299.531 877807.1391 669892.4698 716713.8947 431497.0062 424870.2215 786862.0311 873583.9619 864970.83 732272.521 674554.7892 1558928.574 1538599.657 1628471.751 1448982.605 1626313.863 1339562.955 1303703.122 919519.834 784659.1779 896813.772 1080280.48 1244752.258 1081250.987 707552.4801 994944.8292 serine 17639727.91 17631724.91 17636303.27 15979699.74 15989321.76 16803343.83 17197157.37 15037752.67 13624954.27 12815310.32 15242949.85 14855270.57 16075226.91 15541040.55 15327634.8 5315276.864 4645025.04 4479421.764 4453188.208 4249700.159 5984460.568 5271667.611 5378302.558 4853087.244 3632688.543 4865645.49 4708943.694 4944488.566 5554223.278 4642557.33 5950324.13 5408426.35 5852487.132 5990598.565 5691229.195 7233389.434 5952801.703 6081426.884 6094192.857 6092256.712 5529596.698 7137528.38 6330819.404 6270324.304 5964967.396 sphinganine 3677647.365 3108449.656 3716688.653 3230926.605 2903104.028 2859112.91 2317190.813 2315729.846 2369441.019 2013061.418 3495330.758 3436930.432 2910035.683 3843331.606 3524371.315 5007487.996 3077504.574 2806849.231 3862738.978 2200203.617 4514376.473 4086754.613 3913851.004 4018818.236 3051386.976 5439910.887 4068259.734 5102853.452 5885356.028 5034032.529 3014088.802 2182116.221 1648573.976 2885203.889 2702712.771 3155104.669 2814687.97 2217820.203 2380842.046 2277338.208 2909181.234 2016205.38 2580170.077 3164554.513 3479567.092 Sphingosine 25448156.2 23162100.07 26080838.14 22627768.01 21573296.87 24784981.52 22262520.06 24781463.41 24728916.66 20430161.4 25655142.37 26019665.96 25244963.09 30737953.04 27021170.84 43336632.77 30737529.62 29293323.56 36297017.05 24565219.72 42381382.69 39692784.29 39240155.45 33226176.97 28305310.57 50311002.56 46368012.98 49719348.95 50392634.72 44036325.83 33014477.64 24589142.14 19081454.78 27269218.36 24814867.47 32652049.49 29646009.6 23790263.11 25333941.68 23096504 31925710.27 26342846.82 27699350.05 28707535.62 36655494.93 taurine 296768971.1 296993640.9 318095407.5 281111967.6 274707935.4 284380206.4 290592946.9 240046041.7 209330695.9 183030086.8 247924761.7 245587374 288938074.8 268862310.4 245327433.3 545388386.8 554755709.4 547900431.6 564570207.7 576368071 545364886.2 480897075.7 493815978 372594440.2 335399540.2 582732461.9 593681809 595203820.4 513863178.4 471846366.1 474091485.6 470040254.8 496288150.7 451594075.7 455215911 506646540 479425704.9 366646054.2 346940562.9 368061891.6 462320838.8 517714659.8 434695150.6 380345199.9 400139308.7 thiamine 41070496.38 41133097.85 41821562.89 35669447.38 35896769.56 36459262.75 40601452.22 28579602.9 21666129.09 19369855.18 25037455.62 27260770.91 31055494.87 26824122.08 24166972.58 25707720.3 25383565.97 23225668.66 23047684.81 24837751.42 24364603.32 21895800 20138022.54 15346463.4 10714929.38 24738817.95 25013170.32 24126068.66 22192291.67 19259496.19 25404676.06 26932042.05 26580850.49 23601887.94 24938487.37 29299135 24928271.04 16849322.29 17532475.7 18795277.13 23218623.28 30492090.8 21361516.58 18914957.97 20081394.98 threonine 260774456.9 254679095.2 267384796.5 233545585.1 240452327.2 250662342.3 266351146.7 203109402.7 170664762 153098864.8 224492547.6 213908646.4 240433683.9 216808526.4 203927240.4 103711249.9 94248721.19 92850638.25 91184620.43 92616034.53 113318604.2 104141955.4 94741642.92 75344787.63 56710682.28 102035309 102213731.8 106133288.6 100650469.7 89042055.35 118577037.8 114429693.3 117440434.2 116490180.9 116242131.8 143424373.8 114733117.4 96926090.03 98777346.52 105793332.6 113011626 144135805.4 108847650.4 106044327.8 107799569.2 tiglylcarnitine 1467618.583 1039379.207 1114931.229 961721.7981 943755.7722 1359995.151 968167.4875 815418.9456 826685.768 777683.4375 1000389.933 1355810.462 983523.8358 1040760.715 998937.3414 1847624.269 1487608.767 1577552.101 1528351.185 1721946.316 1805579.519 1559807.412 1700707.33 1154922.684 1072991.226 2296694.346 1775101.454 1738458.854 1852483.565 1681792.768 3919477.44 4374812.526 4188890.104 3719846.349 3827494.379 3751675.609 3789215.669 2439926.998 2065442.939 2091343.612 3963776.522 3960628.143 3569753.46 2781380.157 3085383.189 tryptophan 213336409.3 210650555.3 210798806.3 181948208.6 183091621.3 197248765.2 209752683.4 161819004 134852984.5 115987000.2 170857993.7 169028445.6 196112932.8 174094865.2 159878079.3 154278615.8 147383379.6 136853287.4 140351630.1 141362549.9 160544875 149745638.5 136433784.6 107587256.9 77569740.02 165207851 159214914.4 160051419.4 151243708.2 135030215.9 175598619.1 174626686.5 181426538.6 172349332 174120815.3 200561341.1 170192920.9 134458494.4 138374995.4 143842504.6 175882393.7 215265960.1 167214619.2 155230491.8 159150489.5 tyrosine 65839856.88 63193563.58 62463447.16 52326801.57 52660425.88 59504123.51 63974218.7 47593176.09 37329898.71 31279113.26 46440746.45 49788461.92 57482312.89 52075122.94 47893567.13 51036973.19 48841379.93 41805509.89 43338734.5 46669806.24 51472836.42 46062455.85 41091955.54 32057818.72 21968358.97 46824775.78 44817960.53 48361120.83 46642446.37 41292181.68 58462625.29 56235657.43 57534408.5 54281287.27 57458244.94 70653587.94 56599019.89 40671552.05 43434233.41 45932161.95 56916901.3 67422806.97 51370349.23 48038739.77 48974280.93 UMP 4818383.076 4897828.136 5105423.098 4851953.99 4842747.782 4883486.407 5520089.413 5017106.826 4141724.929 4099810.22 4706112.721 5518873.076 5553329.179 4998107.833 5122387.937 3968148.626 4380355.762 4029521.079 4036006.179 4259047.292 4673252.882 4400303.909 5043055.53 3296786.022 3683706.815 5682916.395 5830695.82 5875850.738 5591152.742 5089046.422 4242054.209 4302113.675 4647903.525 4252835.749 4322229.281 4586967.057 4533896.404 4577584.268 4027425.972 4489772.852 5349854.165 5084947.708 5045849.115 4897963.594 5260541.827 Uracil 1177766.702 1241046.628 1096084.759 957908.8918 1002130.202 1199557.713 1218097.419 1034521.256 916998.3077 781688.0847 972714.1861 927121.8125 1027358.635 1098493.976 982890.795 887494.0552 812390.6872 711764.9716 764878.8556 732216.1336 917374.7665 888334.4359 698578.3013 774310.3136 616016.84 957882.9547 857523.9334 774266.4251 798065.1933 807658.4355 718416.5287 708402.8249 747325.8807 714149.4553 764533.1523 1011152.506 856369.6083 684574.5971 765178.1003 779423.9102 753680.2587 1037930.715 749053.2694 778805.0178 762776.0893 Uric acid 246591980.9 195773191.6 186281323.6 147879630.6 158052420 186327241.7 184021060.7 152668171.3 119919478 111555567.6 110931272.4 140407751.1 172328566.4 198309379.9 219588139.8 219297794.2 221372140.3 163493274.5 166076505.9 217130166.9 195374338.8 182116154.6 168389146.3 168164645 114717024.9 160695998.1 170368005.7 176736628.1 204151904.2 193166125.9 181437274.6 175686178 185992829.4 169022392 180267834.3 308768421.9 217530944.3 163336566.3 203235668.2 224883044.5 207960576.4 258925586.3 178334830.2 159514702.1 187191024.9 uridine 612074.6739 604274.1982 506960.7539 425453.0493 394568.2094 669561.5776 647154.1529 669517.9777 829698.7445 500021.5826 462411.0217 391835.8474 464489.6076 639239.6319 484714.2022 286344.2061 234256.5131 184827.0637 167055.0517 167901.3879 607003.8988 675040.0881 433826.446 655519.6539 284196.7439 368486.7327 304718.4282 281762.5562 524370.2933 447211.6208 160248.7648 151165.1263 146371.417 178840.5052 211129.4109 504357.8955 215926.1429 304756.3128 530257.1577 443916.8133 260333.6121 591125.235 234504.4735 466714.4866 246850.1737 valine 11488457.58 10977471.82 10995180.03 8857275.479 8891847.875 10799899.08 10767654.69 8589220.605 7278345.35 5735852.236 8296826.195 7950129.112 9599116.529 9254078.218 7827856.844 7830552.824 7073864.507 6531960.744 6784880.759 6966309.593 8805886.311 8087605.299 6919595.554 5652118.722 3612129.425 8560133.227 8153398.194 8299251.735 7694081.983 6878977.525 8384292.369 8265730.618 8725955.473 8244878.191 8577703.571 11260540.85 8444103.681 6366608.206 7077963.994 7477350.597 8584336.731 11927230.14 8170870.458 7848452.337 7943732.963 xanthosine monophosphate 263039.4923 288489.2337 367968.6447 256721.3952 344732.1029 235972.1356 312721.5951 160996.4497 64143.64499 133223.1125 204991.605 222304.8031 284676.6351 208097.9506 154655.079 302578.0416 393533.8741 360905.7104 384025.9102 440708.6097 176682.0189 129821.4998 135180.8642 7171.581894 9745.406861 248797.9588 223372.7148 247450.4356 167856.0205 104368.9062 425020.5451 481343.395 421569.0079 348793.6831 399520.0683 230396.0929 235949.6906 111926.4906 60680.233 77194.36638 215809.1699 195257.5984 126053.7089 64379.99128 114966.0971 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID Molecular Formula KEGG_ID Chemspider_ID Pubchem _ID CAS 2-hydroxyglutarate_m+0 HMDB0059655 C5H8O5 C02630 42 43 2889-31-8 2-hydroxyglutarate_m+1 HMDB0059655 C5H8O5 C02630 42 43 2889-31-8 2-hydroxyglutarate_m+2 HMDB0059655 C5H8O5 C02630 42 43 2889-31-8 2-hydroxyglutarate_m+3 HMDB0059655 C5H8O5 C02630 42 43 2889-31-8 2-hydroxyglutarate_m+4 HMDB0059655 C5H8O5 C02630 42 43 2889-31-8 2-hydroxyglutarate_m+5 HMDB0059655 C5H8O5 C02630 42 43 2889-31-8 2-oxoglutarate_m+0 HMDB0000208 C5H6O5 C00026 50 51 328-50-7 2-oxoglutarate_m+1 HMDB0000208 C5H6O5 C00026 50 51 328-50-7 2-oxoglutarate_m+2 HMDB0000208 C5H6O5 C00026 50 51 328-50-7 2-oxoglutarate_m+3 HMDB0000208 C5H6O5 C00026 50 51 328-50-7 2-oxoglutarate_m+4 HMDB0000208 C5H6O5 C00026 50 51 328-50-7 2-oxoglutarate_m+5 HMDB0000208 C5H6O5 C00026 50 51 328-50-7 4-aminobutyrate_m+0 HMDB0000112 C4H9NO2 C00334  116 119 56-12-2 4-aminobutyrate_m+1 HMDB0000112 C4H9NO2 C00334  116 119 56-12-2 4-aminobutyrate_m+2 HMDB0000112 C4H9NO2 C00334  116 119 56-12-2 4-aminobutyrate_m+3 HMDB0000112 C4H9NO2 C00334  116 119 56-12-2 4-aminobutyrate_m+4 HMDB0000112 C4H9NO2 C00334  116 119 56-12-2 acetyl-CoA_m+0 HMDB0001206 C23H38N7O17P3S C00024 392413 444493 72-89-9 acetyl-CoA_m+2 HMDB0001206 C23H38N7O17P3S C00024 392413 444493 72-89-9 aconitate_m+0 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 aconitate_m+1 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 aconitate_m+2 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 aconitate_m+3 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 aconitate_m+4 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 aconitate_m+5 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 aconitate_m+6 HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 alanine_m+0 HMDB0000161 C3H7NO2 C00041 5735 5950 56-41-7 alanine_m+1 HMDB0000161 C3H7NO2 C00041 5735 5950 56-41-7 alanine_m+3 HMDB0000161 C3H7NO2 C00041 5735 5950 56-41-7 argininosuccinate_m+0 HMDB0000052 C10H18N4O6 C03406 16059 16950 2387-71-5 argininosuccinate_m+3 HMDB0000052 C10H18N4O6 C03406 16059 16950 2387-71-5 argininosuccinate_m+4 HMDB0000052 C10H18N4O6 C03406 16059 16950 2387-71-5 asparagine_m+0 HMDB0000168 C4H8N2O3 C00152 6031 6267 70-47-3 asparagine_m+1 HMDB0000168 C4H8N2O3 C00152 6031 6267 70-47-3 asparagine_m+3 HMDB0000168 C4H8N2O3 C00152 6031 6267 70-47-3 asparagine_m+4 HMDB0000168 C4H8N2O3 C00152 6031 6267 70-47-3 aspartate_m+0 HMDB0000191 C4H7NO4 C00049 5745 5960 56-84-8 aspartate_m+1 HMDB0000191 C4H7NO4 C00049 5745 5960 56-84-8 aspartate_m+2 HMDB0000191 C4H7NO4 C00049 5745 5960 56-84-8 aspartate_m+3 HMDB0000191 C4H7NO4 C00049 5745 5960 56-84-8 aspartate_m+4 HMDB0000191 C4H7NO4 C00049 5745 5960 56-84-8 beta-citrylglutamate_m+0 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+1 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+10 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+11 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+2 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+3 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+4 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+5 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+6 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+7 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+8 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 beta-citrylglutamate_m+9 HMDB0241915 C11H15NO10 C20775 30786116  NA 73590-26-8 C2-carnitine_m+0 HMDB0000201 C9H17NO4 C02571 5406074 7045767 3040-38-8 C2-carnitine_m+1 HMDB0000201 C9H17NO4 C02571 5406074 7045767 3040-38-8 C2-carnitine_m+2 HMDB0000201 C9H17NO4 C02571 5406074 7045767 3040-38-8 C3-carnitine_m+0 HMDB0000824 C10H19NO4 C03017 164090  188824  20064-19-1 C3-carnitine_m+1 HMDB0000824 C10H19NO4 C03017 164090  188824  20064-19-1 C3-carnitine_m+2 HMDB0000824 C10H19NO4 C03017 164090  188824  20064-19-1 C3-carnitine_m+3 HMDB0000824 C10H19NO4 C03017 164090  188824  20064-19-1 C4-carnitine_m+0 HMDB0002013 C11H21NO4 C02862 184820  213144  25576-40-3 C4-carnitine_m+1 HMDB0002013 C11H21NO4 C02862 184820  213144  25576-40-3 C4-carnitine_m+2 HMDB0002013 C11H21NO4 C02862 184820  213144  25576-40-3 C4-carnitine_m+3 HMDB0002013 C11H21NO4 C02862 184820  213144  25576-40-3 C4-carnitine_m+4 HMDB0002013 C11H21NO4 C02862 184820  213144  25576-40-3 carbamoylaspartate_m+0 HMDB0000828 C5H8N2O5 C00438 84022 93072 13184-27-5 carbamoylaspartate_m+1 HMDB0000828 C5H8N2O5 C00438 84022 93072 13184-27-5 carbamoylaspartate_m+2 HMDB0000828 C5H8N2O5 C00438 84022 93072 13184-27-5 carbamoylaspartate_m+3 HMDB0000828 C5H8N2O5 C00438 84022 93072 13184-27-5 carbamoylaspartate_m+4 HMDB0000828 C5H8N2O5 C00438 84022 93072 13184-27-5 CDP_m+0 HMDB0001546 C9H15N3O11P2 C00112 5902 6132 63-38-7 CDP_m+1 HMDB0001546 C9H15N3O11P2 C00112 5902 6132 63-38-7 CDP_m+2 HMDB0001546 C9H15N3O11P2 C00112 5902 6132 63-38-7 CDP_m+3 HMDB0001546 C9H15N3O11P2 C00112 5902 6132 63-38-7 citicoline_m+0 HMDB0001413 C14H26N4O11P2 C00307 13208  13805  987-78-0 citicoline_m+3 HMDB0001413 C14H26N4O11P2 C00307 13208  13805  987-78-0 citrate_m+0 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrate_m+1 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrate_m+2 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrate_m+3 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrate_m+4 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrate_m+5 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrate_m+6 HMDB0000094 C6H8O7 C00158 305 311 77-92-9 CMP-acetylneuraminate_m+0 HMDB0001176 C20H31N4O16P C00128 395082  448209  3063-71-6 CMP-acetylneuraminate_m+1 HMDB0001176 C20H31N4O16P C00128 395082  448209  3063-71-6 CMP-acetylneuraminate_m+2 HMDB0001176 C20H31N4O16P C00128 395082  448209  3063-71-6 CMP-acetylneuraminate_m+3 HMDB0001176 C20H31N4O16P C00128 395082  448209  3063-71-6 CMP-acetylneuraminate_m+4 HMDB0001176 C20H31N4O16P C00128 395082  448209  3063-71-6 CTP_m+0 HMDB0000082 C9H16N3O14P3 C00063 5941 6176 65-47-4 CTP_m+3 HMDB0000082 C9H16N3O14P3 C00063 5941 6176 65-47-4 dihydroorotate_m+0 HMDB0003349 C5H6N2O4 C00337 388355  439216  5988-19-2 dihydroorotate_m+1 HMDB0003349 C5H6N2O4 C00337 388355  439216  5988-19-2 dihydroorotate_m+2 HMDB0003349 C5H6N2O4 C00337 388355  439216  5988-19-2 dihydroorotate_m+3 HMDB0003349 C5H6N2O4 C00337 388355  439216  5988-19-2 dihydroorotate_m+4 HMDB0003349 C5H6N2O4 C00337 388355  439216  5988-19-2 dTTP_m+0 HMDB0001342 C10H17N2O14P3 C00459 58493  64968  365-08-2 dTTP_m+1 HMDB0001342 C10H17N2O14P3 C00459 58493  64968  365-08-2 dTTP_m+2 HMDB0001342 C10H17N2O14P3 C00459 58493  64968  365-08-2 dTTP_m+3 HMDB0001342 C10H17N2O14P3 C00459 58493  64968  365-08-2 fumarate_m+0 HMDB0000134 C4H4O4 C00122 10197150  444972  110-17-8 fumarate_m+1 HMDB0000134 C4H4O4 C00122 10197150  444972  110-17-8 fumarate_m+2 HMDB0000134 C4H4O4 C00122 10197150  444972  110-17-8 fumarate_m+3 HMDB0000134 C4H4O4 C00122 10197150  444972  110-17-8 fumarate_m+4 HMDB0000134 C4H4O4 C00122 10197150  444972  110-17-8 gamma-glutamylcysteine_m+0 HMDB0001049 C8H14N2O5S C00669 110467  123938  636-58-8 gamma-glutamylcysteine_m+5 HMDB0001049 C8H14N2O5S C00669 110467  123938  636-58-8 gamma-glutamylglutamate_m+0 HMDB0011737 C10H16N2O7 C05282 83831  92865  1116-22-9 gamma-glutamylglutamate_m+10 HMDB0011737 C10H16N2O7 C05282 83831  92865  1116-22-9 gamma-glutamylglutamate_m+5 HMDB0011737 C10H16N2O7 C05282 83831  92865  1116-22-9 glutamate_m+0 HMDB0000148 C5H9NO4 C00025 NA 33032  56-86-0 glutamate_m+1 HMDB0000148 C5H9NO4 C00025 NA 33032  56-86-0 glutamate_m+2 HMDB0000148 C5H9NO4 C00025 NA 33032  56-86-0 glutamate_m+3 HMDB0000148 C5H9NO4 C00025 NA 33032  56-86-0 glutamate_m+4 HMDB0000148 C5H9NO4 C00025 NA 33032  56-86-0 glutamate_m+5 HMDB0000148 C5H9NO4 C00025 NA 33032  56-86-0 glutamine_m+0 HMDB0000641 C5H10N2O3 C00064 5746  5961  56-85-9 glutamine_m+1 HMDB0000641 C5H10N2O3 C00064 5746  5961  56-85-9 glutamine_m+2 HMDB0000641 C5H10N2O3 C00064 5746  5961  56-85-9 glutamine_m+3 HMDB0000641 C5H10N2O3 C00064 5746  5961  56-85-9 glutamine_m+4 HMDB0000641 C5H10N2O3 C00064 5746  5961  56-85-9 glutamine_m+5 HMDB0000641 C5H10N2O3 C00064 5746  5961  56-85-9 glutathione reduced_m+0 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 glutathione reduced_m+1 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 glutathione reduced_m+2 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 glutathione reduced_m+3 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 glutathione reduced_m+4 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 glutathione reduced_m+5 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 glutathione reduced_m+6 HMDB0000125 C10H17N3O6S C00051 111188  124886  70-18-8 lactate_m+0 HMDB0000190 C3H6O3 C01432 96860  107689  79-33-4 lactate_m+1 HMDB0000190 C3H6O3 C01432 96860  107689  79-33-4 lactate_m+2 HMDB0000190 C3H6O3 C01432 96860  107689  79-33-4 lactate_m+3 HMDB0000190 C3H6O3 C01432 96860  107689  79-33-4 malate_m+0 HMDB0031518 C4H6O5 C00497 83793  92824  636-61-3 malate_m+1 HMDB0031518 C4H6O5 C00497 83793  92824  636-61-3 malate_m+2 HMDB0031518 C4H6O5 C00497 83793  92824  636-61-3 malate_m+3 HMDB0031518 C4H6O5 C00497 83793  92824  636-61-3 malate_m+4 HMDB0031518 C4H6O5 C00497 83793  92824  636-61-3 N2-gamma-Glutamylglutamine_m+0 HMDB0011738 C10H17N3O6 C05283 133013  150914  10148-81-9 N2-gamma-glutamylglutamine_m+5 HMDB0011738 C10H17N3O6 C05283 133013  150914  10148-81-9 N-acetylaspartate_m+0 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartate_m+1 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartate_m+2 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartate_m+3 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartate_m+4 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartate_m+5 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartate_m+6 HMDB0000812 C6H9NO5 C01042 58576  65065  997-55-7 N-acetylaspartylglutamate_m+0 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+1 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+10 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+11 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+2 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+3 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+4 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+5 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+6 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+7 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+8 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylaspartylglutamate_m+9 HMDB0001067 C11H16N2O8 C12270 164080  188803  3106-85-2 N-acetylglutamate_m+0 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+1 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+2 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+3 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+4 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+5 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+6 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamate_m+7 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamine_m+0 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamine_m+5 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylglutamine_m+7 HMDB0001138 C7H11NO5 C00624 64077  70914  1188-37-0 N-acetylmethionine_m+0 HMDB0011745 C7H13NO3S C02712 395338  448580  65-82-7 N-acetylmethionine_m+1 HMDB0011745 C7H13NO3S C02712 395338  448580  65-82-7 N-acetylmethionine_m+2 HMDB0011745 C7H13NO3S C02712 395338  448580  65-82-7 N-acetylneuramate_m+0 HMDB0000230 C11H19NO9 C00270 392810  445063  131-48-6 N-acetylneuramate_m+1 HMDB0000230 C11H19NO9 C00270 392810  445063  131-48-6 N-acetylneuramate_m+2 HMDB0000230 C11H19NO9 C00270 392810  445063  131-48-6 N-acetylserine_m+0 HMDB0002931 C5H9NO4 NA 58744 65249  97-14-3 N-acetylserine_m+1 HMDB0002931 C5H9NO4 NA 58744 65249  97-14-3 N-acetylserine_m+2 HMDB0002931 C5H9NO4 NA 58744 65249  97-14-3 N-acetylthreonine_m+0 HMDB0062557 C6H11NO4 NA 134154 152204  17093-74-2 N-acetylthreonine_m+1 HMDB0062557 C6H11NO4 NA 134154 152204  17093-74-2 N-acetylthreonine_m+2 HMDB0062557 C6H11NO4 NA 134154 152204  17093-74-2 ophthalmate_m+0 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ophthalmate_m+1 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ophthalmate_m+2 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ophthalmate_m+3 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ophthalmate_m+4 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ophthalmate_m+5 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ophthalmate_m+6 HMDB0005765 C11H19N3O6 C21016 5381695  7018721  495-27-2 ornithine_m+0 HMDB0000214 C5H12N2O2 C00077 6026 6262 3184-13-2 ornithine_m+1 HMDB0000214 C5H12N2O2 C00077 6026 6262 3184-13-2 ornithine_m+5 HMDB0000214 C5H12N2O2 C00077 6026 6262 3184-13-2 orotate_m+0 HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 orotate_m+1 HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 orotate_m+2 HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 orotate_m+3 HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 orotate_m+4 HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 orotate_m+5 HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 orotidine_m+0 HMDB0000788 C10H12N2O8 C01103 83729  92751  314-50-1 orotidine_m+1 HMDB0000788 C10H12N2O8 C01103 83729  92751  314-50-1 orotidine_m+2 HMDB0000788 C10H12N2O8 C01103 83729  92751  314-50-1 orotidine_m+3 HMDB0000788 C10H12N2O8 C01103 83729  92751  314-50-1 orotidine_m+4 HMDB0000788 C10H12N2O8 C01103 83729  92751  314-50-1 orotidine_m+5 HMDB0000788 C10H12N2O8 C01103 83729  92751  314-50-1 oxidized glutathione_m+0 HMDB0003337 C20H32N6O12S2 C00127 58835  65359  27025-41-8 oxidized glutathione_m+1 HMDB0003337 C20H32N6O12S2 C00127 58835  65359  27025-41-8 oxidized glutathione_m+10 HMDB0003337 C20H32N6O12S2 C00127 58835  65359  27025-41-8 oxidized glutathione_m+3 HMDB0003337 C20H32N6O12S2 C00127 58835  65359  27025-41-8 oxidized glutathione_m+5 HMDB0003337 C20H32N6O12S2 C00127 58835  65359  27025-41-8 oxidized glutathione_m+6 HMDB0003337 C20H32N6O12S2 C00127 58835  65359  27025-41-8 proline_m+0 HMDB0000162 C5H9NO2 C16435 128566  145742 147-85-3 proline_m+1 HMDB0000162 C5H9NO2 C16435 128566  145742 147-85-3 proline_m+2 HMDB0000162 C5H9NO2 C16435 128566  145742 147-85-3 proline_m+3 HMDB0000162 C5H9NO2 C16435 128566  145742 147-85-3 proline_m+4 HMDB0000162 C5H9NO2 C16435 128566  145742 147-85-3 proline_m+5 HMDB0000162 C5H9NO2 C16435 128566  145742 147-85-3 pyroglutamate_m+0 HMDB0000267 C5H7NO3 C01879 NA 7405 98-79-3 pyroglutamate_m+1 HMDB0000267 C5H7NO3 C01879 NA 7405 98-79-3 pyroglutamate_m+2 HMDB0000267 C5H7NO3 C01879 NA 7405 98-79-3 pyroglutamate_m+3 HMDB0000267 C5H7NO3 C01879 NA 7405 98-79-3 pyroglutamate_m+4 HMDB0000267 C5H7NO3 C01879 NA 7405 98-79-3 pyroglutamate_m+5 HMDB0000267 C5H7NO3 C01879 NA 7405 98-79-3 S-(2-succinyl)cysteine_m+0 NA C7H11NO6S NA 8439019 NA 547764-73-8 S-(2-succinyl)cysteine_m+3 NA C7H11NO6S NA 8439019 NA 547764-73-8 S-(2-succinyl)cysteine_m+4 NA C7H11NO6S NA 8439019 NA 547764-73-8 S-(2-Succinyl)glutathione_m+0 NA C14H21N3O9S C03174 388962 439932 50409-82-0 S-(2-Succinyl)glutathione_m+1 NA C14H21N3O9S C03174 388962 439932 50409-82-0 S-(2-Succinyl)glutathione_m+2 NA C14H21N3O9S C03174 388962 439932 50409-82-0 S-(2-Succinyl)glutathione_m+3 NA C14H21N3O9S C03174 388962 439932 50409-82-0 S-(2-Succinyl)glutathione_m+4 NA C14H21N3O9S C03174 388962 439932 50409-82-0 S-(2-Succinyl)glutathione_m+5 NA C14H21N3O9S C03174 388962 439932 50409-82-0 S-lactoylglutathione_m+0 HMDB0001066 C13H21N3O8S C03451 389032  440018  25138-66-3 S-lactoylglutathione_m+5 HMDB0001066 C13H21N3O8S C03451 389032  440018  25138-66-3 succinate_m+0 HMDB0000254 C4H6O4 C00042 1078  1738118 110-15-6 succinate_m+2 HMDB0000254 C4H6O4 C00042 1078  1738118 110-15-6 succinate_m+3 HMDB0000254 C4H6O4 C00042 1078  1738118 110-15-6 succinate_m+4 HMDB0000254 C4H6O4 C00042 1078  1738118 110-15-6 succinylcarnitine_m+0 HMDB0061717 C11H19NO6 NA 28639166 131802075  256928-74-2 succinylcarnitine_m+1 HMDB0061717 C11H19NO6 NA 28639166 131802075  256928-74-2 succinylcarnitine_m+2 HMDB0061717 C11H19NO6 NA 28639166 131802075  256928-74-2 succinylcarnitine_m+3 HMDB0061717 C11H19NO6 NA 28639166 131802075  256928-74-2 succinylcarnitine_m+4 HMDB0061717 C11H19NO6 NA 28639166 131802075  256928-74-2 UDP_m+0 HMDB0000295 C9H14N2O12P2 C00015 5809 6031 58-98-0 UDP_m+1 HMDB0000295 C9H14N2O12P2 C00015 5809 6031 58-98-0 UDP_m+2 HMDB0000295 C9H14N2O12P2 C00015 5809 6031 58-98-0 UDP_m+3 HMDB0000295 C9H14N2O12P2 C00015 5809 6031 58-98-0 UDP-GlcNac_m+0 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+1 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+2 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+3 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+4 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+5 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+6 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-GlcNac_m+7 HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-glucose_m+0 HMDB0000286 C15H24N2O17P2 C00029 NA 8629 133-89-1 UDP-glucose_m+1 HMDB0000286 C15H24N2O17P2 C00029 NA 8629 133-89-1 UDP-glucose_m+2 HMDB0000286 C15H24N2O17P2 C00029 NA 8629 133-89-1 UDP-glucose_m+3 HMDB0000286 C15H24N2O17P2 C00029 NA 8629 133-89-1 UDP-glucose_m+4 HMDB0000286 C15H24N2O17P2 C00029 NA 8629 133-89-1 UDP-glucose_m+5 HMDB0000286 C15H24N2O17P2 C00029 NA 8629 133-89-1 UDP-glucuronate_m+0 HMDB0000935 C15H22N2O18P2 C00167 16522  17473  2616-64-0 UDP-glucuronate_m+1 HMDB0000935 C15H22N2O18P2 C00167 16522  17473  2616-64-0 UDP-glucuronate_m+2 HMDB0000935 C15H22N2O18P2 C00167 16522  17473  2616-64-0 UDP-glucuronate_m+3 HMDB0000935 C15H22N2O18P2 C00167 16522  17473  2616-64-0 UDP-glucuronate_m+4 HMDB0000935 C15H22N2O18P2 C00167 16522  17473  2616-64-0 UTP_m+0 HMDB0000285 C9H15N2O15P3 C00075 5903 6133 63-39-8 UTP_m+1 HMDB0000285 C9H15N2O15P3 C00075 5903 6133 63-39-8 UTP_m+2 HMDB0000285 C9H15N2O15P3 C00075 5903 6133 63-39-8 UTP_m+3 HMDB0000285 C9H15N2O15P3 C00075 5903 6133 63-39-8 1-Methylnicotinamide HMDB0000699 C7H9N2O C02918 444 457 1005-24-9 2/3-phosphoglycerate HMDB0000362 C3H7O7P C00631 NA NA 2553-59-5 4-hydroxyphenyllactate HMDB0000755 C9H10O4 C03672 9010  9378 306-23-0 4-hydroxyproline HMDB0000725 C5H9NO3 C01015 5605 5810 618-27-9 adenosine HMDB0000050 C10H13N5O4 C00212 54923 60961 58-61-7 ADP HMDB0001341 C10H15N5O10P2 C00008 5800 6022 58-64-0 ADP-ribose HMDB0001178 C15H23N5O14P2 C00301 187 192 20762-30-5 AICA ribonucleotide HMDB0001517 C9H15N4O8P C04677 58620  65110 3031-94-5 allantoin HMDB0000462 C4H6N4O3 C01551 199 204 97-59-6 aminoimidazole ribotide HMDB0001235 C8H14N3O7P C03373 141854  161500  25635-88-5 AMP HMDB0000045 C10H14N5O7P C00020 5858  6083  61-19-8 arginine HMDB0000517 C6H14N4O2 C00062 6082  6322 1119-34-2 ATP HMDB0000538 C10H16N5O13P3 C00002 5742  5957  34369-07-8 beta-alanine HMDB0000056 C3H7NO2 C00099 234 239 107-95-9 Betaine HMDB0000043 C5H11NO2 C00719 243 248 107-43-7 C5-carnitine HMDB0013128 C12H23NO4 17353685  17353685 16226475  40225-14-7 cAMP HMDB0000058 C10H12N5O6P C00575 5851  6076  60-92-4 Carnosine HMDB0000033 C9H14N4O3 C00386 388363  439224  305-84-0 Choline HMDB0000097 C5H14NO C00114 NA NA 123-41-1 citrulline HMDB0000904 C6H13N3O3 C00327 9367 9750 372-75-8 CMP HMDB0000095 C9H14N3O8P C00055 5901 6131 63-37-6 Creatine HMDB0000064 C4H9N3O2 C00300 566  586 57-00-1 Creatinine HMDB0000562 C4H7N3O C00791 568  588 60-27-5 cyclic ADP-ribose HMDB0249529 C15H21N5O13P2 C13050 10816475  22062770  119340-53-3 cystathionine HMDB0000099 C7H14N2O4S C02291 388392  439258  535-34-2 cytidine HMDB0000089 C9H13N3O5 C00475 5940 6175  65-46-3 cytosine HMDB0000630 C4H5N3O C00380 577 597 71-30-7 dCTP HMDB0000998 C9H16N3O13P3 C00458 58601  65091  2056-98-6 deoxyadenosine HMDB0000101 C10H13N5O3 C00559 13135  13730 958-09-8 deoxycarnitine HMDB0001161 C7H15NO2 C01181 705 725 407-64-7 deoxycytidine HMDB0000014 C9H13N3O4 C00881 13117  13711  951-77-9 diethanolamine HMDB0004437 C4H11NO2 C06772 13835604  8113  111-42-2 dihydroxyacetone phosphate HMDB0001473 C3H7O6P C00111 648 668 57-04-5 Dodecyl sulfate HMDB0030452 C17H26N8O5 C02010 21615450  258  2079-00-7 epsilon-(gamma-Glutamyl)-lysine HMDB0003869 C11H21N3O5 NA 5378717 7015684  17105-15-6 erythritol HMDB0002994 C4H10O4 C00503 192963  222285  149-32-6 FAD HMDB0001248 C27H33N9O15P2 C00016 559059  643975  146-14-5 fructose bisphosphate HMDB0001058 C6H14O12P2 C00354 9848  10267 488-69-7 GDP HMDB0001201 C10H15N5O11P2 C00035 8630  8977  146-91-8 glucosamine 6-phosphate HMDB0001254 C6H14NO8P C00352 388356  439217  55722-81-1 glucuronate HMDB0000127 C6H10O7 C00191 392615  444791 70021-34-0 glyceraldehyde 3-phosphate HMDB0001112 C3H7O6P C00661 388314  439168  591-59-3 glycerol 2-phosphate HMDB0002520 C3H9O6P C02979 2431  2526 17181-54-3 glycerol 3-phosphate HMDB0000126 C3H9O6P C00093 388308  439162  57-03-4 glycerylphosphorylcholine HMDB0000086 C8H20NO6P C00670 571409 657272 28319-77-9 Glycine HMDB0000123 C2H5NO2 C00037 730 750 56-40-6 GMP HMDB0001397 C10H14N5O8P C00144 6545  6804 85-32-5 GTP HMDB0001273 C10H16N5O14P3 C00044 6569 6830 86-01-1 hexanoylcarnitine HMDB0000756 C13H25NO4 NA 2497478  3246938  22671-29-0 hexitol HMDB0000765 C6H14O6 C00392 6015  6251 69-65-8 hexose phosphate HMDB0001401 C6H13O9P C00092 5743  5958  56-73-5 histidine HMDB0000177 C6H9N3O2 C00135 6038 6274 71-00-1 homoarginine HMDB0000670 C7H16N4O2 C01924 8732  9085 156-86-5 hydroxybutyrylcarnitine HMDB0013127 C11H21NO5 NA 28540388 71464477 1469900-92-2 hypoxanthine HMDB0000157 C5H4N4O C00262 768 790 68-94-0 IMP HMDB0000175 C10H13N4O8P C00130 8264 8582 131-99-7 inosine HMDB0000195 C10H12N4O5 C00294 5799 6021 58-63-9 Inositol HMDB0240209 C6H12O6 C19891 10254647 NA 643-12-9 Isoleucine HMDB0000172 C6H13NO2 C00407 6067  6306 73-32-5 ketoleucine/ketoisoleucine HMDB0000695 C6H10O3 C00233 69087 70 816-66-0 ketovaline HMDB0000019 C5H8O3 C00141 48 49 759-05-7 kynurenine HMDB0000715 C10H7NO3 C01717  3712 3845 492-27-3 L-cartinine HMDB0000062 C7H15NO3 C00318 2006614  10917 541-15-1 leucine HMDB0000687 C6H13NO2 C00123 5880  6106 328-39-2 lysine HMDB0000182 C6H14N2O2 C00047 5747 5962 56-87-1 malonylcarnitine HMDB0002095 C10H17NO6 NA 34999703  91825606  910825-21-7 methionine HMDB0000696 C5H11NO2S C00073 5907 6137 63-68-3 Methionine sulfoxide HMDB0002005 C5H11NO3S C02989  139840 158980 3226-65-1 methylthioadenosine HMDB0001173 C11H15N5O3S C00170 388321  439176 2457-80-9 N,N-dimethylarginine HMDB0001539 C8H18N4O2 C03626 110375  123831  30315-93-6 N6,N6,N6-Trimethyllysine HMDB0001325 C9H20N2O2 C03793 389120 440120 19253-88-4 N6-Methyllysine HMDB0002038 C7H16N2O2 C02728 144469 164795 1188-07-4 N-acetylarginine HMDB0004620 C8H16N4O3 NA 60752 67427 155-84-0 N-acetylhistidine HMDB0032055 C8H11N3O3 C02997 68142 75619 2497-02-1 NAD HMDB0000902 C21H27N7O14P2 C00003 5682  5892  53-84-9 NADH HMDB0001487 C21H29N7O14P2 C00004 903 439153 58-68-4 N-carbamoylaspartate HMDB0000828 C5H8N2O5 C00438 84022 93072 13184-27-5 N-Formylmethionine HMDB0001015 C6H11NO3S C03145  388809  439750 4289-98-9 palmitoyl sphingomyelin HMDB0010169 C39H79N2O6P NA 8115562  9939941  6254-89-3 pantothenate HMDB0000210 C9H17NO5 C00864 6361  6613 137-08-6 pentitol HMDB0000508 C5H12O5 C00474 10254628  NA 488-81-3 pentose phosphate HMDB0001548 C5H11O8P C00117  389102  440101 4300-28-1 phenylalanine HMDB0000159 C9H11NO2 C02057 5910 6140 63-91-2 phosphocreatine HMDB0001511 C4H10N3O5P C02305 567 587 67-07-2 phosphoenolpyruvate HMDB0000263 C3H5O6P C00074 980 1005 138-08-9 phosphorylcholine HMDB0001565 C5H14NO4P C00588 989 1014 3616-04-4 Pyridoxal HMDB0001545 C8H9NO3 C00250 1021 1050 65-22-5 pyruvate HMDB0000243 C3H4O3 C00022 NA 1060 127-17-3 S-adenosylhomocysteine HMDB0000939 C14H20N6O5S C00021 388301  439155 979-92-0 S-adenosylmethionine HMDB0001185 C15H22N6O5S C00019 21169292  34756  485-80-3 S-allylcysteine HMDB0034323 C6H11NO2S C16759 88744 98280 21593-77-1 sarcosine HMDB0000271 C3H7NO2 C00213 1057 1088  107-97-1 sedoheptulose 7-phosphate HMDB0258206 C7H15O10P C05382 596 616 2646-35-7 serine HMDB0000187 C3H7NO3 C00065 5736 5951 56-45-1 sphinganine HMDB0000269 C18H39NO2 C00836 82609 91486 764-22-7 Sphingosine HMDB0000252 C18H37NO2 C00319 NA 5280335  123-78-4 taurine HMDB0000251 C2H7NO3S C00245 1091 1123 107-35-7 thiamine HMDB0000235 C12H17N4OS C00378 1098  1130 67-03-8 threonine HMDB0000167 C4H9NO3 C00188 6051 6288 72-19-5 tiglylcarnitine HMDB0002366 C12H21NO4 NA 34999729 91825636  64681-36-3 tryptophan HMDB0000929 C11H12N2O2 C00078 6066 6305 73-22-3 tyrosine HMDB0000158 C9H11NO3 C01536 5833  6057 60-18-4 UMP HMDB0000288 C9H13N2O9P C00105 5808  6030  58-97-9 Uracil HMDB0000300 C4H4N2O2 C00106 1141 1174 66-22-8 Uric acid HMDB0000289 C5H4N4O3 C00366 1142 1175 69-93-2 uridine HMDB0000296 C9H12N2O6 C00299 5807 6029 58-96-8 valine HMDB0000883 C5H11NO2 C16436 6050 6287 72-18-4 xanthosine monophosphate HMDB0001554 C10H13N4O9P C00655 66054  73323  523-98-8 METABOLITES_END #END