#METABOLOMICS WORKBENCH my265_20220715_064405_mwtab.txt DATATRACK_ID:3344 STUDY_ID:ST002222 ANALYSIS_ID:AN003631 PROJECT_ID:PR001418 VERSION 1 CREATED_ON July 15, 2022, 6:51 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 and glutamate in ST:STUDY_TITLE ccRCC ST:STUDY_SUMMARY The objective of this experiment is to test the contribution of the carbons ST:STUDY_SUMMARY derived from glutamine to the generation of aspartate and glutamate 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 glutaminase CB-839. This is Part 7 of a ST:STUDY_SUMMARY study and the experimental number is MS57. 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 - MS57_001 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS57_001 SUBJECT_SAMPLE_FACTORS - MS57_002 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS57_002 SUBJECT_SAMPLE_FACTORS - MS57_003 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS57_003 SUBJECT_SAMPLE_FACTORS - MS57_004 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS57_004 SUBJECT_SAMPLE_FACTORS - MS57_005 Cell line:HK2 | Treatment:DMSO RAW_FILE_NAME=MS57_005 SUBJECT_SAMPLE_FACTORS - MS57_006 Cell line:HK2 | Treatment:CB839 100nM RAW_FILE_NAME=MS57_006 SUBJECT_SAMPLE_FACTORS - MS57_007 Cell line:HK2 | Treatment:CB839 100nM RAW_FILE_NAME=MS57_007 SUBJECT_SAMPLE_FACTORS - MS57_008 Cell line:HK2 | Treatment:CB839 100nM RAW_FILE_NAME=MS57_008 SUBJECT_SAMPLE_FACTORS - MS57_009 Cell line:HK2 | Treatment:CB839 100nM RAW_FILE_NAME=MS57_009 SUBJECT_SAMPLE_FACTORS - MS57_010 Cell line:HK2 | Treatment:CB839 100nM RAW_FILE_NAME=MS57_010 SUBJECT_SAMPLE_FACTORS - MS57_011 Cell line:HK2 | Treatment:CB839 500nM RAW_FILE_NAME=MS57_011 SUBJECT_SAMPLE_FACTORS - MS57_012 Cell line:HK2 | Treatment:CB839 500nM RAW_FILE_NAME=MS57_012 SUBJECT_SAMPLE_FACTORS - MS57_013 Cell line:HK2 | Treatment:CB839 500nM RAW_FILE_NAME=MS57_013 SUBJECT_SAMPLE_FACTORS - MS57_014 Cell line:HK2 | Treatment:CB839 500nM RAW_FILE_NAME=MS57_014 SUBJECT_SAMPLE_FACTORS - MS57_015 Cell line:HK2 | Treatment:CB839 500nM RAW_FILE_NAME=MS57_015 SUBJECT_SAMPLE_FACTORS - MS57_016 Cell line:HK2 | Treatment:CB839 1μM RAW_FILE_NAME=MS57_016 SUBJECT_SAMPLE_FACTORS - MS57_017 Cell line:HK2 | Treatment:CB839 1μM RAW_FILE_NAME=MS57_017 SUBJECT_SAMPLE_FACTORS - MS57_018 Cell line:HK2 | Treatment:CB839 1μM RAW_FILE_NAME=MS57_018 SUBJECT_SAMPLE_FACTORS - MS57_019 Cell line:HK2 | Treatment:CB839 1μM RAW_FILE_NAME=MS57_019 SUBJECT_SAMPLE_FACTORS - MS57_020 Cell line:HK2 | Treatment:CB839 1μM RAW_FILE_NAME=MS57_020 SUBJECT_SAMPLE_FACTORS - MS57_021 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS57_021 SUBJECT_SAMPLE_FACTORS - MS57_022 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS57_022 SUBJECT_SAMPLE_FACTORS - MS57_023 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS57_023 SUBJECT_SAMPLE_FACTORS - MS57_024 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS57_024 SUBJECT_SAMPLE_FACTORS - MS57_025 Cell line:786O | Treatment:DMSO RAW_FILE_NAME=MS57_025 SUBJECT_SAMPLE_FACTORS - MS57_026 Cell line:786O | Treatment:CB839 100nM RAW_FILE_NAME=MS57_026 SUBJECT_SAMPLE_FACTORS - MS57_027 Cell line:786O | Treatment:CB839 100nM RAW_FILE_NAME=MS57_027 SUBJECT_SAMPLE_FACTORS - MS57_028 Cell line:786O | Treatment:CB839 100nM RAW_FILE_NAME=MS57_028 SUBJECT_SAMPLE_FACTORS - MS57_029 Cell line:786O | Treatment:CB839 100nM RAW_FILE_NAME=MS57_029 SUBJECT_SAMPLE_FACTORS - MS57_030 Cell line:786O | Treatment:CB839 100nM RAW_FILE_NAME=MS57_030 SUBJECT_SAMPLE_FACTORS - MS57_031 Cell line:786O | Treatment:CB839 500nM RAW_FILE_NAME=MS57_031 SUBJECT_SAMPLE_FACTORS - MS57_032 Cell line:786O | Treatment:CB839 500nM RAW_FILE_NAME=MS57_032 SUBJECT_SAMPLE_FACTORS - MS57_033 Cell line:786O | Treatment:CB839 500nM RAW_FILE_NAME=MS57_033 SUBJECT_SAMPLE_FACTORS - MS57_034 Cell line:786O | Treatment:CB839 500nM RAW_FILE_NAME=MS57_034 SUBJECT_SAMPLE_FACTORS - MS57_035 Cell line:786O | Treatment:CB839 500nM RAW_FILE_NAME=MS57_035 SUBJECT_SAMPLE_FACTORS - MS57_036 Cell line:786O | Treatment:CB839 1μM RAW_FILE_NAME=MS57_036 SUBJECT_SAMPLE_FACTORS - MS57_037 Cell line:786O | Treatment:CB839 1μM RAW_FILE_NAME=MS57_037 SUBJECT_SAMPLE_FACTORS - MS57_038 Cell line:786O | Treatment:CB839 1μM RAW_FILE_NAME=MS57_038 SUBJECT_SAMPLE_FACTORS - MS57_039 Cell line:786O | Treatment:CB839 1μM RAW_FILE_NAME=MS57_039 SUBJECT_SAMPLE_FACTORS - MS57_040 Cell line:786O | Treatment:CB839 1μM RAW_FILE_NAME=MS57_040 SUBJECT_SAMPLE_FACTORS - MS57_041 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS57_041 SUBJECT_SAMPLE_FACTORS - MS57_042 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS57_042 SUBJECT_SAMPLE_FACTORS - MS57_043 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS57_043 SUBJECT_SAMPLE_FACTORS - MS57_044 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS57_044 SUBJECT_SAMPLE_FACTORS - MS57_045 Cell line:786M1A | Treatment:DMSO RAW_FILE_NAME=MS57_045 SUBJECT_SAMPLE_FACTORS - MS57_046 Cell line:786M1A | Treatment:CB839 100nM RAW_FILE_NAME=MS57_046 SUBJECT_SAMPLE_FACTORS - MS57_047 Cell line:786M1A | Treatment:CB839 100nM RAW_FILE_NAME=MS57_047 SUBJECT_SAMPLE_FACTORS - MS57_048 Cell line:786M1A | Treatment:CB839 100nM RAW_FILE_NAME=MS57_048 SUBJECT_SAMPLE_FACTORS - MS57_049 Cell line:786M1A | Treatment:CB839 100nM RAW_FILE_NAME=MS57_049 SUBJECT_SAMPLE_FACTORS - MS57_050 Cell line:786M1A | Treatment:CB839 100nM RAW_FILE_NAME=MS57_050 SUBJECT_SAMPLE_FACTORS - MS57_051 Cell line:786M1A | Treatment:CB839 500nM RAW_FILE_NAME=MS57_051 SUBJECT_SAMPLE_FACTORS - MS57_052 Cell line:786M1A | Treatment:CB839 500nM RAW_FILE_NAME=MS57_052 SUBJECT_SAMPLE_FACTORS - MS57_053 Cell line:786M1A | Treatment:CB839 500nM RAW_FILE_NAME=MS57_053 SUBJECT_SAMPLE_FACTORS - MS57_054 Cell line:786M1A | Treatment:CB839 500nM RAW_FILE_NAME=MS57_054 SUBJECT_SAMPLE_FACTORS - MS57_055 Cell line:786M1A | Treatment:CB839 500nM RAW_FILE_NAME=MS57_055 SUBJECT_SAMPLE_FACTORS - MS57_056 Cell line:786M1A | Treatment:CB839 1μM RAW_FILE_NAME=MS57_056 SUBJECT_SAMPLE_FACTORS - MS57_057 Cell line:786M1A | Treatment:CB839 1μM RAW_FILE_NAME=MS57_057 SUBJECT_SAMPLE_FACTORS - MS57_058 Cell line:786M1A | Treatment:CB839 1μM RAW_FILE_NAME=MS57_058 SUBJECT_SAMPLE_FACTORS - MS57_059 Cell line:786M1A | Treatment:CB839 1μM RAW_FILE_NAME=MS57_059 SUBJECT_SAMPLE_FACTORS - MS57_060 Cell line:786M1A | Treatment:CB839 1μM RAW_FILE_NAME=MS57_060 #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 GLS inhibitor CB-839 (100nM, 500nM or 1μM) CO:COLLECTION_SUMMARY and further incubated for 23h. Before extraction, cells were counted using CASY CO:COLLECTION_SUMMARY cell counter (Omni Life Sciences) using a separate counting plate. After that, CO:COLLECTION_SUMMARY cells were washed at room temperature with PBS twice and then kept in a cold CO:COLLECTION_SUMMARY bath with dry 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 glutaminase inhibitor CB-839 TR:TREATMENT_SUMMARY (100nM, 500nM or 1μM) #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 MS57_001 MS57_002 MS57_003 MS57_004 MS57_005 MS57_006 MS57_007 MS57_008 MS57_009 MS57_010 MS57_011 MS57_012 MS57_013 MS57_014 MS57_015 MS57_016 MS57_017 MS57_018 MS57_019 MS57_020 MS57_021 MS57_022 MS57_023 MS57_024 MS57_025 MS57_026 MS57_027 MS57_028 MS57_029 MS57_030 MS57_031 MS57_032 MS57_033 MS57_034 MS57_035 MS57_036 MS57_037 MS57_038 MS57_039 MS57_040 MS57_041 MS57_042 MS57_043 MS57_044 MS57_045 MS57_046 MS57_047 MS57_048 MS57_049 MS57_050 MS57_051 MS57_052 MS57_053 MS57_054 MS57_055 MS57_056 MS57_057 MS57_058 MS57_059 MS57_060 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:CB839 100nM Cell line:HK2 | Treatment:CB839 100nM Cell line:HK2 | Treatment:CB839 100nM Cell line:HK2 | Treatment:CB839 100nM Cell line:HK2 | Treatment:CB839 100nM Cell line:HK2 | Treatment:CB839 500nM Cell line:HK2 | Treatment:CB839 500nM Cell line:HK2 | Treatment:CB839 500nM Cell line:HK2 | Treatment:CB839 500nM Cell line:HK2 | Treatment:CB839 500nM Cell line:HK2 | Treatment:CB839 1μM Cell line:HK2 | Treatment:CB839 1μM Cell line:HK2 | Treatment:CB839 1μM Cell line:HK2 | Treatment:CB839 1μM Cell line:HK2 | Treatment:CB839 1μM 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:CB839 100nM Cell line:786O | Treatment:CB839 100nM Cell line:786O | Treatment:CB839 100nM Cell line:786O | Treatment:CB839 100nM Cell line:786O | Treatment:CB839 100nM Cell line:786O | Treatment:CB839 500nM Cell line:786O | Treatment:CB839 500nM Cell line:786O | Treatment:CB839 500nM Cell line:786O | Treatment:CB839 500nM Cell line:786O | Treatment:CB839 500nM Cell line:786O | Treatment:CB839 1μM Cell line:786O | Treatment:CB839 1μM Cell line:786O | Treatment:CB839 1μM Cell line:786O | Treatment:CB839 1μM Cell line:786O | Treatment:CB839 1μM 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:CB839 100nM Cell line:786M1A | Treatment:CB839 100nM Cell line:786M1A | Treatment:CB839 100nM Cell line:786M1A | Treatment:CB839 100nM Cell line:786M1A | Treatment:CB839 100nM Cell line:786M1A | Treatment:CB839 500nM Cell line:786M1A | Treatment:CB839 500nM Cell line:786M1A | Treatment:CB839 500nM Cell line:786M1A | Treatment:CB839 500nM Cell line:786M1A | Treatment:CB839 500nM Cell line:786M1A | Treatment:CB839 1μM Cell line:786M1A | Treatment:CB839 1μM Cell line:786M1A | Treatment:CB839 1μM Cell line:786M1A | Treatment:CB839 1μM Cell line:786M1A | Treatment:CB839 1μM 2-hydroxyglutarate_m+0 6656484.933 6552404.138 5833432.887 5473499.778 5498848.119 11934139.56 13173778.46 13067092.16 9968263.773 10923192.69 13298967.56 14312059.26 12417739.08 9698208.04 10302349.91 13298150.98 12919341.1 12044398.05 10497571.33 12503600.25 14420836.09 15429322.73 13943553.49 15218865.99 12774436.93 18839704.64 39592823.42 25941967.05 17598999.81 23927585.83 18483400.26 34524935.96 29623624.35 11742329.84 13282727.1 38546665.46 37154301.83 39293659.97 41686679.85 30949641.82 14106115.86 16182637.24 17375363.86 11078694.26 10887637.57 10429825.92 12138433.85 10245436.96 7998043.934 7840469.126 14001550.13 16470319.05 17344553.82 18631803.58 18688462.35 22211682.17 23324061.71 25774261.97 18153493.53 20075307.57 2-hydroxyglutarate_m+1 523448.5534 576542.6836 505347.4191 499199.0713 455335.5195 1011857.925 1370285.213 1373867.642 854257.0555 1035804.883 1163914.097 1319045.517 990869.2782 699219.2008 746858.1226 1021466.548 1117161.089 1029115.027 761747.3094 834245.5969 3573214.393 3889388.888 3456788.738 3956582.305 2834250.65 1206667.632 4501498.559 2410745.216 1204011.747 2051714.211 1309408.653 3598119.81 3018091.708 684441.1793 874601.3087 4127375.787 4084679.51 4112569.626 4295019.022 2953439.557 1258407.504 1694677.269 1711301.118 1550913.939 1500724.666 559370.7709 619598.4697 527727.46 398537.1786 366413.1298 1376240.086 1659673.915 1841351.31 1310473.139 1248953.041 1483035.428 1464088.535 1779655.757 1187262.75 1312343.522 2-hydroxyglutarate_m+2 572153.2615 603703.287 622528.1775 642461.8326 567166.4831 381451.5101 756293.8121 697996.8945 270094.0004 346643.6046 465333.0179 582108.6555 501307.6114 172268.1044 247704.1216 464476.1958 498729.3382 416619.6064 303287.5303 287989.535 3923819.785 4413540.784 3896270.357 4133533.313 3353479.148 361013.2809 2605929.321 1362309.808 319067.5519 998439.8564 698127.5693 2166083.964 1751011.131 106882.187 191986.7784 2547682.407 2297832.201 2433963.133 2516385.113 1789973.469 1248995.323 1651343.504 1751201.764 1949994.265 2009766.324 0 0 0 0 0 1210569.882 1733957.776 1468791.968 439340.4346 469150.3495 689010.4483 772418.0372 1059543.56 413613.6555 393374.2051 2-hydroxyglutarate_m+3 2472486.103 2716473.951 2638008.37 2567324.718 2497416.323 1511557.458 2170026.445 2029876.651 1102775.589 1413366.322 1528898.447 1767345.04 1464507.681 806135.7442 992882.0879 1492019.924 1589903.374 1376342.338 986477.3502 1093097.667 10316818.21 11745327.5 10061442.82 10932420.44 9244873.745 1148551.731 5155523.878 2805291.886 913749.2989 2500012.724 1604814.151 4553129.13 3501800.338 357701.5626 563708.4028 4938850.349 4413816.873 4436850.502 4715025.241 3684654.369 4052528.91 5560622.811 4984114.205 6512887.167 6600214.669 166246.8105 298944.6891 211388.1742 100999.4182 90903.19669 4103500.808 5153972.379 4583740.445 1007486.157 1154795.395 1722870.047 2007529.35 2427501.184 923771.3696 1084764.333 2-hydroxyglutarate_m+4 1059136.651 1119530.198 1114551.531 1114821.829 1084808.858 190357.6583 316500.2666 274203.8714 198446.3338 183187.9465 293262.5028 240868.693 204521.9765 165116.423 135760.8398 251854.8474 215916.9122 232010.8228 217733.2205 184977.9194 1912961.761 2035009.356 1857371.049 1912595.607 1919826.25 332164.8989 674254.3679 491555.5928 219406.1386 437145.8099 367017.2344 613007.546 462328.041 127130.6171 148668.5131 610679.8574 610478.0786 527144.0345 691620.6623 505989.9661 1092499.471 1322664.014 1145787.844 1788647.298 1822806.86 64610.32362 127476.6897 119216.1798 69997.48548 76434.69311 1005495.812 1342956.405 1213312.79 291557.9672 336119.5298 494538.0605 520058.9272 476917.8015 243078.9579 347818.495 2-hydroxyglutarate_m+5 24651263.61 24672264.33 25352768.58 23381207.86 24303531.74 4775802.764 6572441.02 6338250.718 3712517.613 4363485.913 5508887.294 6350661.173 5154473.085 3160740.602 3764409.949 5344144.285 5792449.124 5231426.504 4027184.807 4250013.858 33637826.01 37431007.55 34179188.36 34776878.61 33240252.15 7917148.957 12949090.19 9330493.297 5336987.099 9884363.352 7488695.439 11094714.54 9402539.569 2690232.046 3403578.302 12082923.22 11615061.13 11882085.76 12403425.67 11059126.12 23387044.72 26490651.75 24365389.06 34907089.22 35425348.96 2158047.168 3618745.364 2531683.326 1386025.087 1460132.427 22325140.47 25224619.32 22844133.16 5598610.363 7020645.618 10697359.43 11798000.8 11564747.48 5390719.501 7401953.828 2-oxoglutarate_m+0 13370476.07 14890887 13876219.74 13425533.81 13472396.36 16486727.27 20864711.82 22019042.82 10828379.68 12677989.31 21329082.45 23068794.55 20043135.69 10490746.19 12045783.68 19392183.66 17995980.81 16566914.23 13229674.94 12211445.66 70515418.2 74926177.32 68235784.24 75758159.45 60047146.79 23010023.92 143104141.4 73072177.54 19454365.14 47878125.46 32123690.49 116692569.2 92737956.82 8131180.914 13669433.67 163517568.5 147413650.9 147721895.7 162846718.5 99216832.26 38016108.75 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875915.5683 1013224.05 869357.8949 102135.8105 254970.591 491349.7852 664471.0848 604312.4628 182063.8584 335309.7967 citrate_m+0 29440991.25 29868160.91 25264984.34 36235635.66 25675150.55 29251623.05 29975060.82 40229948.35 47239062.04 46885488.37 58812039.21 39203859.65 33488240.96 33793311.41 44164276.05 40789483.8 56809515.62 35136220.29 30879974.5 79584139.24 150407399.1 136569856.3 150860361.8 131637014.9 100286049.2 32032111.72 130152753 62368422.44 33652461.86 50811661.01 34066309.14 88808008.13 80188855.98 20081548.06 26820288.2 206693222.1 209192692.7 191809110.8 184533142.2 133573937.9 62685402.84 70814732.66 144506762.2 100972622.2 96576970.55 30097562.81 45288888.47 66078043.26 20888733.44 22448298.57 100677763.1 79464538.54 85543179.27 40448770.48 78723516.17 93268097.5 105265437.5 117786046 52975641.88 87739384.26 citrate_m+1 1263320.394 1048070.527 668352.8091 1227265.319 847984.2463 513951.8563 1065877.544 1093287.928 1678579.686 1207322.049 551722.1456 1122405.838 769697.1546 588428.3474 1793057.476 1204112.53 861684.45 850284.1283 581995.6162 1121897.608 12112293.37 16207664.05 14154918.51 19266832.2 10051045.02 610132.522 2444086.813 1818936.288 470635.6567 1186428.471 1024379.496 4097340.71 3427789.13 301056.2294 509984.1166 5616517.447 6278998.416 4667751.9 5268562.507 3164834.634 3280403.625 4974186.981 5458686.265 6882684.941 9922575.094 625381.0628 1313624.762 1257791.162 364299.6964 378638.2344 4813008.295 5103272.553 5381325.772 709632.0423 1233906.244 1437814.379 1458778.416 3712146.732 744664.9699 4276338.431 citrate_m+2 7633513.976 10769927.13 9429592.36 18573208.13 8399372.893 2220427.654 2839443.21 4618180.311 17565337.41 3899113.586 4924773.876 5692103.383 2556413.695 8610780.354 10186487.56 3967322.717 4965995.74 2661231.638 4103891.52 5093164.148 100643489.1 85959580.64 98192705.63 75384589.72 63187725.48 2458274.219 20963458.67 5248261.455 3418339.27 4652533.684 2960550.69 11079487.52 7494516.615 1158158.984 5449686.066 26880351.28 22723732.54 28317055.8 16697347.07 16970799.31 24591979.49 33957044.73 44987663.69 58929951.54 60335208.94 2815841.376 9594877.758 9577615.467 962979.5131 1779102.887 34561316.33 37976263.91 28104413.15 3469055.49 13482540.35 8797090.705 12570368.18 28619618.71 6406848.143 30882770.24 citrate_m+3 13047577.16 18721717.84 17045885.53 31428277.38 15916710.61 2882676.512 3128341.278 5697810.891 22362822.99 4359408.788 6175939.682 8398013.595 2942041.851 12551651.31 14587136.73 5556748.299 6321956.192 3175528.532 6006744.048 7324979.604 137587451.8 121765117.2 138228670.4 103593081.4 90512452.16 3227845.083 26193195.74 5985280.336 4828635.598 6613226.293 4050714.597 13904651.28 9850283.916 1414687.954 8212274.908 32999516.28 27388329.2 36760853.39 20192920.77 22617218.92 40927751.93 52953946.04 66067161.78 96892596.01 98107081.32 3442436.483 12496626.87 11611043.76 1161396.1 2193874.37 54734574.77 57345161.31 42933522.41 5166161.054 18806025.01 12846580.85 19167276.2 37486961.33 9636881.502 42709272.09 citrate_m+4 30502968.67 47070870.74 42360577.84 62454626.84 35069665.2 5765970.205 5402276.023 9275025.686 35645997.95 6226720.276 10024406.59 19986594.05 5269844.438 25385408.86 26178822.98 12176800.28 8675824.246 5271885.365 10167043.78 10892494.89 175118184.3 153929579.2 193674701.4 122189041 119079730.8 7173997.326 41276566.09 8032428.564 8352343.952 8340273.158 4933368.92 14665555.86 9638538.545 2674134.899 14977174.89 37339417.29 28478347.36 49192300.47 20657684.2 28780012.73 69310744.5 93130301.27 110369389.5 164958485.6 172434555.8 6013495.511 17800429.08 15556883.49 2284619.016 4146084.094 91309995.05 96179342.23 70280878.62 7554667.348 30054082.95 14732330.48 26971832.02 49996265.83 16031998.03 66836427.8 citrate_m+5 23911413.57 30596789.32 28292233.46 49292058.62 31436299.95 3984116.871 4023770.84 6457608.021 24917856.13 4735617.17 7347634.731 11716805.21 3667877.67 15206446.83 16491777.03 8282771.214 7718387.908 4589026.549 7527131.303 8186722.674 168875063.5 151098597 169449602.3 130404278.6 114132353.4 4576327.068 27250230.52 5511791.053 5966689.137 7807896.159 5847632.375 15391939.98 11154847.86 1919383.952 9626525.438 33422574.55 27763369.8 38762888.92 20445181.35 25016573.97 55814545.44 70924843.18 79690761.47 128269619.9 128868586.1 4219930.398 13463138.51 11580813.43 1668600.219 2555044.897 70439279.24 72664274.62 54735671.76 7167491.044 21525099.45 15865127.31 21828288.93 41667863.07 12158763.32 50341044.95 citrate_m+6 2384342.926 3721270.305 3553987.152 4570063.444 2873037.108 35287.49823 0 68090.01799 1613806.209 4813.983625 30959.83353 954949.8639 0 1268400.663 1210967.031 310645.4871 11814.10722 0 207915.2647 119481.8926 9752672.431 8778951.95 11269243.26 6483758.246 6287295.066 87426.22163 1765705.144 10541.17762 136747.388 22561.98593 0 148791.3319 52868.0353 0 500714.1985 959761.1733 385110.3679 1899353.463 150824.6852 981013.0825 4350628.155 6168663.442 6560242.079 11295662.81 11844706.46 51398.46912 403301.5453 183413.1728 5041.512022 16382.18189 5590637.682 5787137.48 4053268.022 83617.33305 1205562.503 158006.0375 810097.5173 1979860.548 589988.3115 3803120.008 CMP-acetylneuraminate_m+0 3407277.351 3296664.724 3528168.94 3250761.337 3349811.739 7249814.017 8445207.479 8567544.303 7246233.585 7039611.973 8185623.249 7866277.154 8323651.605 6821094.122 6784195.834 7482638.28 8377258.321 8155274.076 6961537.722 7122682.296 3560051.496 3669671.677 3974168.681 4178226.713 3243040.079 6809160.769 8213289.703 7766851.821 6527805.112 7150422.947 5335787.673 6742354.557 6411479.225 4212781.709 4179064.416 8462494.139 8391641.397 8885392.951 9387990.804 7376293.959 4140960.168 4596836.026 5088231.177 2563157.35 2083421.462 3850568.503 5419583.649 4084674.274 2842967.094 2816140.23 3718232.422 4630016.605 4948500.027 5972687.917 6150397.562 6558212.473 7129114.751 6836761.778 5705723.28 6609220.342 CMP-acetylneuraminate_m+1 919555.8823 893427.1922 906397.3268 922349.1075 932472.4212 1696268.186 1985858.502 2083242.028 1645703.961 1604489.146 1884448.691 1851267.006 1836445.951 1458771.314 1495549.33 1834208.524 1848669.141 2007639.187 1657799.354 1645112.086 1335519.733 1283075.156 1278443.284 1459674.013 1171210.736 1463120.609 1957701.735 1725152.946 1392750.287 1739096.912 1269546.361 1690548.615 1599756.783 950186.6696 901304.6662 2061676.207 2059025.757 2087145.769 2301793.633 1797237.352 1041031.976 1154139.2 1307835.725 916940.5975 715392.4298 828978.0065 1079465.445 895142.9224 635030.812 605967.9206 959038.9584 1216167.264 1241707.345 1232222.563 1296421.322 1356839.213 1607412.311 1544872.736 1164435.166 1370485.627 CMP-acetylneuraminate_m+2 1563941.277 1488351.944 1778927.969 1559054.298 1511494.214 776616.8473 938412.7912 999255.1298 598525.0701 688295.8745 868314.5773 868998.8542 793922.2463 617462.8944 611786.6482 905427.3667 929288.5503 953408.3633 714736.6415 734276.4809 1871413.966 1977327.353 2053413.351 2045833.919 1854513.665 595460.3921 1153252.577 1019458.334 483719.0795 836121.1462 654816.9869 1005043.896 909331.7832 225073.6923 314077.6153 1387445.734 1234326.924 1272967.516 1501011.304 1149943.839 1112145.593 1161291.14 1229431.742 1409365.983 1276372.506 215384.7109 316465.6147 274782.4503 142954.4711 158840.1849 977527.3375 1175617.398 1155622.478 534286.6889 591988.3676 782684.0248 947931.1491 915212.1275 511079.582 595010.2778 CMP-acetylneuraminate_m+3 2066753.011 2279248.731 2232545.565 2203317.348 2010645.942 432943.3154 904976.35 983920.1837 166642.3423 325860.2051 689984.6588 806220.8886 696463.873 233900.2168 293817.2748 686255.8251 853427.864 738359.6295 446167.6375 487734.6621 3604105.575 3507057.5 3785749.71 3767361.627 3395002.261 555458.9521 1269447.939 1009022.69 283594.3436 945853.5799 740894.4934 992904.199 956876.9731 97729.716 187055.0157 1451926.119 1279411.079 1259983.93 1475704.919 1281823.444 1821264.708 2155053.794 2042889.97 3163266.814 2686994.704 67529.27178 155610.4547 87749.81538 15571.55776 8692.74654 1631664.627 2027863.871 2011825.729 282021.9264 409015.0209 844356.5494 1022535.601 995111.1567 339002.4478 472571.0836 CMP-acetylneuraminate_m+4 460891.2625 565544.7623 583314.798 501076.9207 514339.8071 78413.71666 109990.5306 136928.607 18020.29421 19927.55882 103049.3825 100243.1107 68625.19578 7978.004821 32841.1933 136314.0806 114749.9529 110432.1353 51083.04167 44917.56305 874277.0782 991929.5465 893844.9884 925754.5152 902466.9199 62217.55409 228759.5918 153211.9578 12411.23675 123427.5009 90783.24109 178691.4458 190685.6143 5554.450757 0 299102.4902 249600.5385 229267.9367 230455.387 218065.958 462555.8867 525824.9803 439627.888 817310.8748 646466.8917 0 0 0 0 0 364029.7406 539713.2852 419558.6136 17142.17662 42589.84426 143564.7367 145480.4645 148771.7971 72573.68545 77475.84966 CTP_m+0 3473271.959 4096153.23 5425427.333 4983287.975 4157702.076 4849064.198 6706121.605 6961038.168 7761691.88 5017131.114 8208682.309 6005788.724 7162019.002 6179915.323 5783005.356 6467009.234 8231597.158 8265677.592 5033662.817 5881337.865 4280549.117 4694085.022 4886683.24 4014558.39 3465174.973 4332199.073 7334356.8 6863798.878 4367523.364 5412663.027 2113512.915 2937775.285 3192296.493 2201522.434 1703871.556 8016221.311 8094402.023 9014599.708 10243059.08 6821394.353 4679225.047 5353413.505 7943239.886 4963556.149 4790707.124 4960927.79 4878994.304 4822108.287 3989457.459 3854028.57 6075693.967 5858375.055 6765552.835 5251994.543 6019081.714 10289434.08 15802117.14 14270993.2 8453666.962 11285834.87 CTP_m+3 1624479.635 2228214.9 2724598.629 2439118.472 1998945.541 76838.7459 390187.0722 504115.8371 127757.6764 90274.73651 472212.3464 486456.8743 321339.895 144911.114 259837.6678 362596.9828 527863.6907 354121.5075 98570.45507 212659.4851 3408421.787 3301906.214 4124113.067 2864747.686 2850411.688 153812.5689 964421.7614 593564.3363 30178.143 249139.9464 21776.75572 118617.2954 220313.1772 6787.557088 32099.57702 1116049.665 843492.0423 1214363.79 1152005.951 859766.8157 2443353.778 3161315.304 3946091.746 4995882.191 4997087.232 0 0 0 0 0 3439294.963 3069987.886 3205603.239 80474.00443 435815.2197 1050631.164 1903982.933 1844656.928 248180.9991 1041860.292 dihydroorotate_m+0 4037690.982 3474550.84 3574390.626 5120777.542 4515825.702 5339072.469 18652209.7 20430611.52 1202027.669 3461597.073 7464628.539 9661160.867 6977757.992 964360.5562 1462421.301 10051799.49 10094311.72 8642878.001 3274604.569 3447637.371 3739928.183 3977907.74 3049629.77 3828924.421 4579828.458 15791606.07 12418480.68 17135842.28 9738814.398 21256811.22 32053474.44 20972394.4 20436895.49 2067114.393 3361639.868 13876724.67 23785264.36 24277898.59 11515537.22 26510277.5 18967033.34 16323971.63 18290332.02 7617801.189 6824579.343 1907428.716 5069216.887 2520104.167 512522.1024 386381.6833 19430028.31 16550428.85 19571890.74 17352982.46 19211097.72 42538117.97 29174287.56 21235438.61 15482277.39 30744883.7 dihydroorotate_m+1 916046.3554 763367.5159 703795.9347 1203161.419 1075689.598 588706.355 2292842.313 2389428.385 113797.7249 345205.9281 704510.9278 997150.7913 694368.4212 37812.89081 139242.3386 888281.7727 913241.1006 724977.3273 244966.5249 241414.9164 1547878.195 1621798.777 1228288.132 1548380.807 1708745.934 1159422.75 1408262.118 1515185.267 711019.0896 1877677.942 2459151.177 2322143.651 2178174.661 142669.5336 235456.8921 1597591.52 2260872.619 2275043.092 1218156.011 2496965.127 1843318.932 2045823.793 1851644.219 1806896.483 1759306.796 85043.63738 273116.8205 139118.9417 4477.522149 0 1905235.147 1873949.038 1959327.024 1180487.207 1381208.547 2812181.486 1986726.725 1424470.881 1009707.43 2074816.8 dihydroorotate_m+2 4197120.15 3368995.208 3473677.781 5190152.311 4806296.024 712545.8108 3197710.791 3287807.775 130899.0234 477022.1396 913157.8525 1264530.077 870604.6181 70687.14288 147704.135 1229281.264 1242257.594 988837.8647 270790.4892 278976.3996 3147444.121 3558169.665 2862211.813 3434140.623 4034476.789 1383582.078 1523605.678 1895267.256 622507.4224 2067613.292 3041471.888 2590544.255 2520415.45 118625.121 207443.5053 1688967.911 2632291.286 2661830.223 1310990.229 3167419.993 3794029.306 4159021.78 3548688.846 5563449.181 5378375.861 58198.74635 142437.182 94767.29959 0 0 3719091.149 3873579.499 3574810.094 988721.024 1257026.128 3100058.125 2269339.545 1651433.181 816935.3404 1851870.969 dihydroorotate_m+3 10431747.85 7788394.215 8861048.082 11780108.79 10887417.97 941542.235 4688150.113 4742717.244 172942.0842 592658.0829 1560721.983 2268212.732 1443079.719 93064.45205 193507.9644 2343360.299 2408722.69 1926523.409 545804.143 579049.7117 3256794.935 3716990.717 3086464.458 3511652.617 4628157.607 2883619.338 1725072.153 3348823.226 1073955.412 3580097.448 7254840.914 3387133.199 3071384.278 164094.242 341468.7771 2158941.621 4499852.546 4676427.95 1688919.335 5140711.114 7199192.338 6555522.099 5900725.213 9502616.36 8305290.911 88554.23814 437651.5969 160402.048 4566.994011 0 6941578.655 6223916.073 6120145.662 2210834.215 3225120.719 9895171.926 6445313.607 4258743.998 2175433.641 5027448.275 dihydroorotate_m+4 30586818.45 23299200.79 25578580.86 35637076.03 33143747.22 2417785.41 9562441.099 10120842.59 479197.3046 1474247.199 3039654.34 4175373.709 2962373.227 319918.6429 442218.1968 3917668.838 3914618.596 3333711.549 1039148.526 1167976.345 8165715.952 8929874.144 7505004.923 8719404.336 12083677.41 5263804.25 3160406.296 5406975.053 2162480.703 6922126.566 10009881.49 5389465.938 5367515.179 383043.3677 731013.6467 3346936.433 6728412.291 6815133.177 2661897.688 8000203.014 16547055.56 15483726.53 13868384.66 23871979.51 21432801.38 292886.4171 1268877.692 490243.6555 26184.39012 20783.21038 15986395.12 14776635.2 14569568.88 3449546.793 5447380.762 15665215.42 10458186.09 7093261.685 3336365.617 7436618.62 dTTP_m+0 2813145.131 2865516.399 3189769.005 3078206.186 3064188.334 3886164.574 4953415.947 5552509.99 4410095.165 3517412.057 4837427.797 4382694.33 4906239.008 3410877.737 3421590.203 4035758.914 4441984.494 4555237.677 3537932.988 3558418.189 2908838.059 2777943.955 3396522.889 3177755.445 3018566.447 3135826.743 4660369.92 4389860.226 3399832.569 3669180.298 2329594.246 2701791.996 2890178.219 1908034.379 1719883.406 5576394.317 5666155.048 5886554.523 5920042.16 4708794.661 3350996.396 4012709.277 4732193.442 3295900.615 3119215.811 3169599.08 3473283.536 3071468.166 2238247.127 2328294.404 3949286.825 4001856.391 4177187.522 4678617.588 4653577.195 4855063.35 6201602.451 6060029.611 4591612.582 5269601.572 dTTP_m+1 382943.9207 354319.0518 455417.9765 422651.6547 413428.9797 459248.5344 610449.0065 739566.161 492805.82 428896.9204 484694.6236 590545.7441 498162.6383 289669.8258 368284.8127 444618.0865 561810.1997 453476.8151 363459.6778 300654.8282 635241.6246 570860.3599 749457.5885 629739.2829 715071.0733 330103.7593 586992.0734 510554.0451 388901.2571 329596.4059 220474.4385 321071.5762 307904.1963 176430.5047 108755.6347 660243.6793 703437.7291 715738.422 693299.6983 606311.5103 491914.3618 581924.3281 653416.1793 680412.3232 710056.9282 239572.4277 286507.1495 296465.9721 163355.0832 189703.388 635167.1073 715699.2379 683408.4021 534407.4781 525284.0659 545963.1035 704657.7717 647749.5068 462408.7894 506271.3315 dTTP_m+2 234641.3309 296207.2775 317342.9116 301402.1768 279814.7541 53671.58677 135582.153 147517.9216 50223.67383 30926.74731 116709.1123 103601.4727 123261.3051 0 51734.61089 59372.24925 105060.6825 124288.3554 21587.53515 34751.34583 699859.1732 675753.3728 781608.1545 744108.8966 820299.0533 62116.50832 279372.8563 155493.3931 40849.21978 70751.26818 58789.84054 154023.2053 98322.76356 0 0 320559.243 310791.0621 355041.9812 388449.0859 300915.5013 519166.5835 546702.9358 647203.9615 997021.3862 870782.3603 0 0 0 0 0 579209.493 583242.3381 617193.1987 71474.06629 102302.3707 158816.749 252580.8163 280468.9619 42285.40331 132095.5483 dTTP_m+3 1223917.247 1539772.819 1531407.366 1533003.56 1352716.423 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807341366.5 560167736.3 526563436.6 1096731435 1210301447 1298052879 1359975774 1381149299 1461306368 1583001111 1616709702 1267340876 1416518204 glutathione reduced_m+1 90017905.01 97133814.85 96079488.46 95219935.36 89427220 146425348.9 185359922.4 185345861.9 118252867.1 131448489.8 148540004.1 161353223.1 148234861.1 96929764.84 110839194.1 136228287 144453875 140034720.3 107207769.1 110996072.3 201922738.7 199550482.5 202085351.6 225126483.6 173248194.5 157506063.3 298301503 234154997.2 153461382.5 199118274.1 142223860.8 241193271 230897008.7 87275091.68 100299360.6 302216983.1 293773167 298273642.6 306487421.8 250134584.2 140568783.7 158238903 172640639.7 128439444 122810486.7 79516793.46 112876627 90087521.19 63166244.03 58188661.82 143664145.1 162089529.6 170692366.5 159268710.8 161667370.4 169610455.8 184971129.4 191534137.4 147387005.6 162909160.9 glutathione reduced_m+2 44471864.2 48780437.43 46566201.43 48473732.63 46009534.6 40772171.93 54739404.84 54004931.84 31789510.79 36745859.15 39402875.11 43897083.93 38542549.43 23762665.57 27869218.45 35146081 39698936.23 37482534.75 27507357.92 29048938.32 196402815.1 200988627 196860183.6 218429793.3 170002969.1 28062928.86 109910337.2 70240826.31 26158576.26 52188446.09 36742865.46 88725973.48 80373025.73 11015396.65 16032688.75 121254775.5 107969357.5 109029290.2 112618714.7 92791134.62 64252489.05 77609636.68 77311762.25 111099481.6 108362337.8 6079124.885 8789329.446 7541749.843 5941049.952 1847439.772 65704483.96 75378627.16 73642024.36 30142592.55 29965216.79 38311602.71 42393083.6 50238371.78 27490037.71 31228567.88 glutathione reduced_m+3 196575354.9 212589351.7 209944866 214815190.6 204591205.7 131306461.9 168156690.5 165599427.9 112725283.5 122521816.4 126708085.8 135765161.4 124009351.9 83540720.72 98964028.34 113185613.1 124225132.7 117665322.1 94390308.08 98898367 572488894.7 579362609.6 574395262 623638489.1 523706146.1 88067325.94 251113087.6 180625959.6 77199213.16 148005852 104725061.4 205074942.6 188553795.8 37339099.79 49189501.76 259752457.3 234367318.3 243093638.6 242881233.9 223158895.7 230076695.9 269950397.7 257559518.1 399154799.5 390303777.9 29632635.66 43949089.51 36003034.51 23640368.48 19146672.98 232943912 265330523.9 243935965.8 83555082.99 88712352.38 116070539.4 135885461.1 145412550.1 80905222.75 98016820.29 glutathione reduced_m+4 106094347.6 114984004.9 117234409.7 113960544.7 110984842.4 26450247.92 33321282.29 32395581.98 23436796.2 24396055.96 27886498.43 28876127.39 26048018.84 19074687.41 21879980.12 26013675.07 28762164.62 26828733.92 22456647.79 23758228.59 156978023.8 162133980.7 159432367.1 167666313.5 148560146.6 33447820.65 51961621.74 46771584.83 27569993.91 45089538.32 31996685.11 45033216.14 42659104.13 15656759.89 18766385.59 54219161.75 51064664.12 52875008.79 50706124.27 54627594.93 85780937.49 95875849.43 91454734.96 139959360.2 140435237.2 14309872.72 24264855.22 17247721 10145765.97 9760372.087 86586355.74 93903585.75 86395734.43 29999547.91 33937869.14 44458124.88 50254422.8 48312757.56 30982626.25 38425236.87 glutathione reduced_m+5 2113903739 2263054707 2320576559 2249720477 2150487331 434512919.5 535718903.8 522081811.6 384094112.8 400730755.3 474283709.1 495722184.1 451419843.8 334770437.7 377683648.2 451084806.5 491833574.1 472979224.7 401959092.5 419948780.9 2469293459 2534280618 2548345199 2596014009 2426194568 684899909.9 842549213.1 837994180.6 565714381.4 833046038.3 611963178 740562955.2 730969391.6 328889490.9 382232526.6 893452636.8 847780267.9 880345313.4 816159674 929736851.2 1556007122 1736020170 1620530896 2435591838 2441521825 309918425.1 520092863.6 364712648.3 208790681.2 211570028.4 1584762757 1685518576 1549812608 609070369.9 684638926.4 872514409.7 983902791.7 929084557.4 623634156.6 763458273.8 glutathione reduced_m+6 107659983.2 114929523.9 118144577.8 112636349.6 110633463.5 21266602.41 26272732.79 25571815.19 18257328.34 18991043.47 22814182.76 24876760.54 21907204.97 16008592.02 18484381.8 21684170.36 24439177.22 23532655.01 19118862.47 20281962.77 125970910.1 127857770.8 128884942.5 130727717.4 122859185.6 33982423.34 41556470.02 41374287.5 27516078.11 41081449.88 29540443.2 36550517.47 36352411.76 16160581.94 18835098.78 43998091.47 42298518.94 43527052.39 40362336.94 46635624.36 78956076.34 86286148.7 80701918.32 122493799.6 122923572.3 14904646.72 25464311.83 17316909.55 10253677.27 10538342.58 80866262.64 84452293.11 77748477.13 30256092.11 34704774.4 43628209.28 48641062.74 46958359.16 30501736.59 37511565.63 lactate_m+0 332172436 311846722.9 274100278.2 267228492.9 260660319.2 415888019.8 431502945.6 441009289.2 347972052.7 322089333.2 509236435.8 643005008.1 463462528 301653117 311489850.3 592457666.8 551448144.1 435084834.3 379367896.8 303880750 449876941.2 418246095.9 385328358.7 554700399.5 458453247.4 453317498.1 505565933.2 505342947 333065718.7 456085590.2 329075570.3 449025569.5 351406219.6 234434226.3 260545145.8 697730046 602150792.9 587411436.8 668136002.5 500537416.7 506409463.9 509961229 540391545.6 598281812.2 539022004 299640487.1 385762271.7 261469496.9 167757778.6 133209080.2 492983980.7 500908946.6 553225551.2 459186131.4 646750338.5 857851893.2 898799221.2 858317412.7 498686524.4 567323938.8 lactate_m+1 11777599.87 10850276.84 9546136.937 9249900.588 8988540.68 13941022.22 14409886.61 14730527.4 11781368.79 10725380.53 17378308.37 21653328.31 15425772.78 10033825.37 10624429.85 19806195.51 18574505.31 14524946.4 12646698.83 10206103.92 15855360.31 15025511.82 13898152.53 19848304.57 16592100.68 15187841.85 16921197.8 17113063.66 11144214.95 15400339.24 11091964.65 15256218.52 11942577.33 7751562.939 8607502.398 23724184.24 20353219.08 19969630.49 22587118.01 16814206.14 17521930.91 17329332.19 18444483.86 20775904.73 18732438.62 9991479.818 12988345.87 8654063.298 5516862.412 4422650.478 16736295.45 17230108.81 18956715.66 15282435.35 21687204.89 29040492.32 30491181.03 29142643.7 16693909.64 19311249.04 lactate_m+2 1349792.818 1248900.327 1151678.602 1131751.16 1127735.956 82247.45158 128609.3152 120042.495 69355.31927 58703.34731 162451.9497 162616.678 88468.08702 35968.83539 84078.53794 168811.1055 131968.9795 139295.4266 94806.22997 72251.66426 1779913.901 1676847.103 1483344.059 2204841.256 1771421.576 100504.4635 215903.3445 189928.9166 94561.10698 109093.2643 86341.19939 172236.0642 105925.6063 46181.74188 53130.79192 300576.8439 218426.6722 263044.719 285188.873 161296.8243 727997.8645 745360.744 764042.4407 1456762.091 1297105.162 65612.04805 98598.77124 60884.8532 39637.38999 18082.76991 694536.2564 694810.4285 703200.8668 91121.49199 182206.3377 215981.5134 260850.0424 288897.6603 181049.5423 192932.7575 lactate_m+3 5930952.481 5761066.443 5267327.552 4995868.87 4957105.464 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5263242.925 4883442.876 4373018.808 6622833.379 5185054.205 0 0 0 0 0 0 0 0 0 0 92194.0033 85659.52736 69038.52304 72968.47148 40793.16337 2170324.709 2456212.959 2157503.871 4872027.883 4476777.445 0 0 0 0 0 2098374.473 2208448.494 2009950.928 0 0 0 0 0 0 0 malate_m+0 90570553.49 96582588.62 91730483.25 86983846.54 85896078.09 18467760.69 35664104.06 36595386.65 10635882.43 14255729.96 19275095.71 25187481.62 21370949.82 8893228.032 10447663.94 19048407.65 18878740.8 18072588.21 13888576.99 11613573.84 162231934.2 170047060.8 161185741.9 181033781.2 150326064.1 32737157.39 141293486.2 84075552.53 20137651.42 57353548.55 62128559.72 131658983.2 113387352.5 13681051.78 15448038.13 190562253.2 170756713 171184833.3 161544327.1 132333097.7 88599073.49 100454589.8 103079795.4 127991004.8 124626079.3 7996481.511 8348091.1 8159296.739 6205024.779 4517370.894 88427311.99 97874046.93 101766153.8 53880522.6 56917209.25 64228999.99 56309598.92 65404215.96 35881467.52 41340017.33 malate_m+1 19440058.41 21941166.22 19728022.86 20556975.25 19672019.92 1487264.727 3674641.505 3906897.051 776635.4296 1146229.984 1472808.144 2033338.53 1717112.754 455457.2082 598093.1807 1417236.48 1385866.244 1311717.348 795613.1309 708383.2305 66921713.38 70595462.91 63652902.51 74003245.32 58969074.63 2135386.816 15728864.15 7564096.456 1381063.77 4857590.318 4346116.504 13996090.45 11381844.61 733379.4349 1210487.016 19481118.9 16686974.25 16653670.75 15680398.21 12553594.5 17739327.4 23627676.95 21977726.4 32557247.37 32344634.44 264584.3045 271895.7242 304854.5234 178506.8205 73569.84976 17579629.95 21709939.92 21156086.2 3584013.519 3580988.332 3677522.226 3233826.749 4276328.777 2112200.483 2566321.132 malate_m+2 88503216.83 96391088.78 88675352.15 89095386.75 87904384.6 1860681.05 5196567.751 4779572.668 972064.8061 1415318.088 1597298.076 2721432.206 2038478.893 501565.3978 701885.9364 1544656.889 1813653.355 1547579.629 714519.2465 886172.5832 140928315.5 148761867.1 136331830.7 150772348.5 134341241.5 2403575.566 16569868.09 8202066.805 1266959.669 5660324.676 5488415.751 14998530.59 12125881.53 493747.1876 1156390.917 20504261.76 16780045.53 17077280.13 16196135.62 14376775.35 52855116.42 65952161.81 59848634.72 97650867.54 99065730.17 151916.3252 158068.6302 204887.1618 102780.9599 8593.089975 52704032.49 60969445.1 56796804.29 3181513.837 3782851.869 4715270.487 4080658.558 5747933.031 1820595.765 2751395.955 malate_m+3 203426521 202018467.7 201402131.6 185870126 188740070 2126322.617 6146381.594 5775995.716 1064443.464 1273886.061 2156318.537 3795631.888 2509628.701 678750.9909 895960.5896 2338493.461 2504069.659 2266040.133 982234.363 1027105.766 152369500.6 160701485.8 151705321.1 160229643.3 149431774.8 4463111.379 16603114.75 10466199.39 1647260.511 7352104.909 10547977.94 15318232 12959648.17 596741.5175 1406025.432 22373380.05 21186106.81 20736920.19 18754991.25 18439518.69 79954511.16 88453167.18 80933540.5 146732653.9 140949230.6 301790.4643 499733.4722 265135.2047 31599.18345 18167.86042 78988663.37 82352891.57 77369874.73 5466989.361 9476604.015 12812813.74 11769768.51 11869751.3 4331778.575 6971177.237 malate_m+4 606116974.6 610832919.4 605767735.2 551625553.4 567352810.3 5365232.578 13782917.97 13444834.85 3260558.547 4023664.211 4902452.431 9085142.694 5600819.249 2360368.779 2894344.381 5230059.447 5427359.277 4817922.394 2855493.995 2884218.17 317130168.5 333080764.8 324882069.8 334878146.6 328150859.8 6333559.83 28485097.4 16982083.55 2703312.893 12030843.05 12627293.08 24934417.02 21724790.98 1202962.234 2893906.629 34335526.09 28955145.23 29116974.48 26089438.96 27442975.39 189772028.5 217960545 195132057.6 347257055 340382003.7 787998.0004 1256954.064 984081.0468 424959.0657 311116.7681 185732106.6 202691160.6 187684435.8 6457462.115 10121491.43 14281653.78 13400006.39 14896804.26 4315890.219 7093879.954 N2-gamma-Glutamylglutamine_m+0 519463.5632 245118.864 225144.2598 392377.4553 185531.7598 195821.0806 266973.9664 411693.227 372664.8196 240008.4951 332833.3734 228385.3097 292580.6738 230513.3071 281106.4954 953789.5055 353958.0375 375603.8242 281163.703 254469.9224 164410.9836 198794.5369 123821.2225 257787.9757 147528.2562 311598.5373 351298.8771 338812.1891 229565.8028 202888.581 84492.26567 159770.0253 261092.8616 136439.2388 99856.94235 375421.101 256986.0939 267894.9804 402793.5091 208891.9947 236872.2444 219277.2361 248533.1311 244989.6562 190189.0706 214238.0205 264451.3427 151218.7313 111486.0372 153285.4494 225647.8807 173335.7042 235430.9184 211184.6861 215108.7412 1403269.401 791386.641 548718.5699 290863.1061 312155.4879 N2-gamma-glutamylglutamine_m+5 224438.4827 109082.8901 177275.9973 165709.025 161064.2275 1639464.791 1615593.429 1649734.369 1775926.326 1095118.085 2266786.901 2044369.172 2188415.979 1556048.078 1551182.435 1892501.423 2027163.958 1549423.984 1440953.04 1097792.83 273769.188 165670.1759 226929.1865 252747.0599 290918.9581 1261364.32 1532955.318 1693353.661 1403933.61 1044259.352 726195.1177 623540.0813 541969.146 687802.0031 651003.9371 1411136.382 1049659.717 1067689.839 1152014.128 749501.2691 632118.721 464343.0292 574467.0041 494539.8799 433623.2205 1046279.654 1028542.389 782070.6382 592879.3592 521228.0791 634238.5672 422793.988 514189.2789 958629.149 1307356.418 1759222.79 1732205.256 1490820.018 1398107.44 1163946.934 N-acetylaspartate_m+0 197261809.9 215506783.8 234394743.6 218963661 211141360.5 663028487.9 873254015.1 858083047.3 633017755.7 601178539.1 766477547.1 782427499.5 791634407.2 586298511.6 601698157.1 677240905.7 754561186.7 745227084.3 598302080.1 606896048.1 70495207.39 72496308.49 69690814.46 74752909.75 65556427.39 113905607.9 169187303 152252912.7 126354642.8 135052713.1 114942479.3 154078527.8 152000095.6 94423769.95 96715588.39 192176466.7 181586143.2 190530174.7 200418114.1 169406405.1 22333360.35 25082667.99 26853899.4 17595032.48 16476162.27 20753432.64 26905659.6 22183448.19 14720612.34 14604758.13 23285156.22 26015612.36 27843151.85 33715951.53 32803490.22 32450591.23 36829056.1 38595952.59 32627831.64 35076320.43 N-acetylaspartate_m+1 26034980.39 27963452.19 30066045.83 29494602.56 28661829.62 66794279.31 92656739.38 91995126.99 62510220.44 60173330.23 68109000.2 71661512.99 72275977.38 50094967.27 52822310.82 58090824.25 64400056.18 64773956.05 49331010.34 50658873.08 12823072.46 13280154.62 13198056.34 14437660.86 12074580.26 8856302.03 16519507.27 13120186.45 9831972.026 11540045.15 9340444.902 14723376.48 13735668.31 7238228.38 7258287.766 18054318 16741681.12 17556985.85 18284454.59 15097648.1 1895336.281 2119707.805 2294234.137 2104437.327 1901464.402 1378207.219 1778620.253 1483328.014 1001571.596 919428.9436 2029172.856 2381727.157 2306732.081 2390764.681 2445787.221 2342005.132 2566571.37 2906992.022 2209620.989 2513824.578 N-acetylaspartate_m+2 105307943.4 110798634 119913130.9 117636983.2 114010151.6 76234150.41 107761750.2 104294733.3 68691799.25 66712414.06 69676343 74075678.8 73969536.5 48213922.72 51118173.42 60387112.97 68039956.11 67573045.84 50891922.01 51436973.87 35785372.36 37406519.05 35676165.66 37432702.37 35261913.16 6582971.549 19946963.76 15330662.71 6504229.487 11877134.47 10659749.08 18546269.53 17550160.22 3921999.472 4624610.838 25501391.9 21366931.49 22747604.45 24314436.19 20869682.04 3682915.096 4455864.068 4147275.316 6013826.136 6152906.304 503737.5232 769665.2169 563434.7079 389064.143 276330.1503 3741116.677 4331845.142 3916307.774 1709110.878 1877294.626 2409963.025 2732569.254 3056404.93 1787861.559 2181061.451 N-acetylaspartate_m+3 158330553.1 163284661.6 181890689.2 174731689.7 169401660 54267773.01 82381695.41 78408453.76 44466512.46 45763172.54 58915370.14 62748792.79 59367803.79 36362156.06 39339949.32 55869017.82 62979178.33 60648436.03 43836722.57 44737008.85 34927935.58 36679928.33 35639077.77 36143772.77 35841377.14 5411633.456 14770691.17 12580541.78 4592015.077 9822883.086 9623312.008 14079263.46 13669882.11 2422663.457 3196759.956 20447165.03 17084677.97 17704376.23 19327821.74 17384932.93 3847997.726 4388883.347 4045499.842 6668373.686 6650982.327 341239.3232 495473.2354 419566.383 178769.7146 153724.9243 3958826.659 4387139.084 4068221.361 1453782.28 1539894.821 2362024.758 2780061.97 2714185.876 1371637.894 1821900.137 N-acetylaspartate_m+4 519724571.3 531002678 590280860 570261758.5 556394197.4 122525967.9 172891691.3 167727947.2 116155019.9 110439042.7 109076685.7 115392403 115257291.8 77237116.62 80883194.34 89580417.58 100637073.9 100453476.3 76132859.37 79119913.86 89772716.09 92371938.63 90382267.63 92887937.68 92852247.96 12038835.33 25429530.31 22379177.1 11519537.81 19305782.99 15940706.02 23070717.6 22322599.26 7450098.534 8385444.227 29457461 25438645.97 25816290.89 27674825.31 26346715.16 10233007.84 12225947.53 10878270.85 18836139.39 18644889.09 1221425.733 1825048.807 1479457.705 931633.9759 855738.0166 10803410.33 11510495.43 10528265.73 2580231.511 2783293.877 3674533.585 4232332.994 4471910.936 2511624.579 3211425.488 N-acetylaspartate_m+5 94883956.4 96939793.38 109589957.3 99798068.26 98643492.4 5765746.833 9189021.281 8312777.185 5116885.202 5144088.204 6269855.706 6407736.254 6151223.293 3649273.066 4017310.605 5907424.269 6961650.404 6798878.722 4928096.978 4961098.439 14082751.07 14475097.47 14485005.09 13854650.08 14803129.8 425796.0701 1530121.93 1312045.758 333960.8327 869238.6275 1053113.021 1485053.538 1433650.715 177591.604 213250.6485 2396710.348 1773468.431 1897897.562 2040834.941 2128029.139 1448129.286 1657663.357 1260194.196 2873619.129 2968969.296 0 0 0 0 0 1491422.918 1576404.79 1303082.524 49590.37768 59621.35347 146270.2989 172298.0088 198891.8347 67268.66424 81557.58818 N-acetylaspartate_m+6 227152991.1 227051056.3 261158381.9 237897214.1 234747595.4 7066412.075 10788729.79 10274941.24 6430851.879 6371334.073 6588101.871 6966184.321 6799503.927 4402882.678 4694984.352 6312705.09 6854699.095 6925192.133 5016623.673 5224696.339 27797730.36 28590084.24 28306619.74 27774410.23 29858331.95 510584.8049 1591360.445 1549222.784 371163.5176 1046970.076 1091625.894 1574614.39 1625346.883 196738.2326 300867.099 2652937.009 2032864.523 1929738.584 2419730.058 2199329.422 3153539.566 3527076.605 2933748.008 6463019.008 6698224.607 0 0 0 0 0 3240541.434 3267129.076 2797808.999 80340.07423 104327.8372 239667.7906 250261.6244 317649.3122 95176.67267 126680.1824 N-acetylaspartylglutamate_m+0 27618237.9 29226257.93 28955377.24 27734692.42 27646937.97 58568531.68 75175202 75214535.51 49028240.68 54576596.94 71456263.16 75892193.77 70110272.54 48980559.29 54171301.67 65391142.91 72284905.25 67303793.69 57110113.01 52603543.35 1252504.38 1267444.644 1216636.068 1292215.139 1154842.115 4147036.329 4806481.017 4325347.774 4146938.847 3887382.656 3389997.577 4160409.753 3933770.541 2985572.151 3044049.267 4285990.743 4702789.669 5035115.485 4847895.111 4091610.474 687215.3584 847995.5638 884148.5411 371474.7682 329974.7455 658582.2776 965161.4891 761082.1803 507870.1176 526447.1368 725509.2074 890087.5645 919605.5466 1228949.027 1120748.474 925408.2403 1084496.727 1108901.918 989769.9012 1100746.178 N-acetylaspartylglutamate_m+1 3376999.987 3843448.156 3691346.091 3415750.755 3514589.478 9468508.402 12707167.09 12377750.49 7792919.534 9118768.052 10666566.04 11500537.46 10390278.54 7178872.238 8027204.905 9280261.605 10461315.5 9649024.552 8059831.718 7649274.232 186737.6605 191103.1382 154726.3966 189005.9192 137511.5825 579244.8762 812161.422 584006.506 559277.3557 541618.3106 471280.8868 599239.8557 567752.4189 402736.5248 370394.2038 613073.8735 646501.6529 774457.9394 651818.3184 580797.205 76707.42854 86180.33005 75586.80898 22519.08524 24084.31229 68206.84763 101199.5141 61125.13095 30233.28138 5457.311853 59618.34251 113990.5999 105223.4266 137607.0356 98252.97429 107834.5335 122705.8479 147424.4424 122635.8059 151116.8796 N-acetylaspartylglutamate_m+10 3406203.059 3510594.184 3506073.081 3300518.779 3354101.213 119650.2539 99544.29371 86906.57748 51831.68507 109898.5116 0 0 0 0 0 42642.86325 104930.946 71699.17746 27863.55566 39048.35648 41427.56482 95234.58751 47959.37347 27605.12116 87638.95732 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-acetylaspartylglutamate_m+11 7604351.565 7402044.414 7822376.606 7046527.939 7401962.642 83964.63307 114796.6592 102232.585 60209.04935 54507.5572 77486.52605 82014.44878 27623.72893 17003.37328 32308.27518 37968.3572 72285.50332 85996.39839 38463.49902 28781.91802 107039.4557 127199.5032 143359.0872 137108.212 195599.5412 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-acetylaspartylglutamate_m+2 709895.9413 867164.8441 780911.9382 756496.0538 716702.7518 4120789.658 5523317.623 5371954.41 3255226.738 3798846.19 3967894.535 4166347.833 3819967.715 2341875.29 2825931.814 3383264.413 3826850.784 3474908.8 2794280.472 2471853.115 132473.9392 112668.9838 109863.8437 117043.8688 145820.771 166641.1811 445877.4802 262575.8248 157739.8697 227005.9972 199457.2641 338337.5042 291258.4592 72027.02479 98516.88845 397465.8289 363352.1182 405272.5046 411962.0617 356487.8518 37125.1289 20654.5843 24801.79789 19561.4524 14085.77336 0 0 0 0 0 14420.42175 54359.6127 28340.23809 19225.44731 15560.82901 31337.01564 31046.56414 49790.5362 25739.6487 8888.440621 N-acetylaspartylglutamate_m+3 1986855.511 2126377.112 2171257.697 2064621.826 1974190.213 8631905.776 11099279.9 10709410.81 6831165.637 7992664.178 8392412.32 8913508.101 8248877.619 5457443.327 6025374.952 7136352.815 8304747.972 7525913.835 6219206.386 5602255.009 262650.49 236646.6097 221173.6099 265407.8205 199042.5365 285104.6154 611295.7202 425896.125 269846.4553 374735.3501 262836.5332 508040.1568 427348.1286 136791.509 185371.6192 510747.0407 588969.5805 586967.3508 547966.7604 545309.5596 45507.31777 75021.81908 33046.66564 6310.93692 26466.05759 0 0 0 0 0 36577.02144 73332.91888 64071.83381 27152.56905 19008.35458 39046.23957 62082.62348 82431.60976 65795.08106 54390.41561 N-acetylaspartylglutamate_m+4 2551428.884 2762012.16 2711945.606 2576171.789 2663779.906 5074807.813 6293002.127 6210908.549 4238439.524 4647945.485 4488545.813 4909169.45 4258074.015 2989367.938 3380089.917 3889061.437 4211852.103 3694305.694 3487182.452 3122424.376 198525.4909 201850.0906 182105.7076 210487.3149 212902.1815 275782.7701 431222.0594 383620.4407 230000.51 276795.4964 237007.3933 366806.0255 308678.7209 148844.111 200573.8624 346994.2274 413109.2147 409645.3626 421558.6729 366410.2796 21403.12673 52809.26853 40311.8962 20343.32322 30629.10241 0 0 0 0 0 45313.1951 72148.96263 93994.91667 59472.34502 48245.73526 67583.0971 47438.46611 78138.92963 46583.64636 55286.09075 N-acetylaspartylglutamate_m+5 21514054.67 23518696.43 23277318.97 21052557.46 21573378.45 23426240.64 30190740.23 28756881.7 19034751.73 21663623.09 26533225.41 27478979.47 25217778.98 17297981.4 19452853.15 23757578.51 27201278.08 24789768.33 21625368.65 20023698.51 1021019.016 996066.7635 1031156.651 924377.5789 889840.1384 1585450.021 1779238.416 1662615.998 1478424.241 1615745.897 1309815.137 1547839.642 1469439.46 1027284.423 1057607.451 1467708.004 1592990.27 1700497.56 1528156.027 1563299.429 294328.782 397851.0629 318022.7155 253981.9693 200191.5577 178138.448 308688.2288 147107.9954 95480.72956 115878.1077 282079.5401 355855.0696 349652.3726 365481.6847 375046.6617 385815.3033 421519.4256 382813.8275 331599.9061 387738.2273 N-acetylaspartylglutamate_m+6 3230096.124 3466304.033 3384594.593 3336736.019 3285166.351 2598588.259 3262752.873 3292355.511 1985598.434 2430831.324 2471304.508 2571890.153 2344751.846 1541298.414 1798921.068 2168541.421 2499110.478 2251462.954 1780983.419 1791939.188 225522.3828 224542.0258 217507.7547 236960.0208 225756.2969 108639.2182 162367.7368 153555.6941 100600.7944 128655.307 132262.2294 146230.1497 124674.2967 63396.3056 44712.91287 171339.6143 157682.573 144437.4111 153395.2263 183117.8543 8895.06795 14006.06169 37968.22837 37668.21111 43046.30776 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+7 5319394.069 5381777.039 5187802.074 5405339.288 5407100.484 1993507.68 2477392.351 2394401.026 1627213.283 1921024.635 1460986.014 1466099.873 1473038.214 1038993.86 1121893.901 1355152.199 1477135.129 1233507.588 1250001.56 1140210.198 320860.2288 368536.4611 355988.909 326821.3912 330162.9622 65748.24632 102959.9379 74637.85548 52909.25467 83214.33772 0 0 0 0 0 100684.5189 111194.6705 105792.5269 132396.5836 108053.4611 30300.05667 33221.34991 15347.38635 92933.26588 70992.35423 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylaspartylglutamate_m+8 6189618.942 6051209.664 6164807.122 5866113.33 5909111.456 1091800.96 1325405.005 1214055.429 777451.0647 891023.6376 950361.1615 956912.9734 888006.5408 571575.7244 667015.644 884551.5014 1065176.387 959133.7013 768559.0194 748648.2478 212101.8571 229573.5337 180635.7845 249665.5704 200681.4652 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-acetylaspartylglutamate_m+9 16772124.76 16707296.4 16744206.88 16113750.63 16835308.94 2126268.721 2637097.534 2550793.046 1752794.506 2030018.353 1652367.006 1740659.555 1569010.227 1131343.449 1287221.436 1417560.929 1566232.555 1530282.391 1267538.5 1163022.958 514730.8645 573081.9164 544181.2817 535451.2369 567173.8914 49483.23377 115387.0338 106595.0653 63175.60918 73384.80854 91502.97655 90406.4619 118063.3536 19171.29832 49114.48456 123304.5125 70957.86057 115878.8352 111078.2532 139969.8891 103400.8167 112048.7427 59417.99298 183939.6663 179994.1974 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-acetylglutamate_m+0 5237173.575 5659523.527 5977407.725 5699509.714 5294716.66 132639635.2 139573664.2 137453789.2 130862898.9 128862867.9 153040958.1 142826358.8 148264626.3 140135830.5 142012582 134732043.3 144117358.8 147602175.9 148473319.9 143585999.7 4216350.75 4363883.268 4978796.144 5157086.447 4013751.662 18449413.33 19886402.57 18332449.6 20711593.49 18508850.32 13999134.83 16096933.39 16403036.36 17068778.19 16954033.12 16774923.86 19024825.27 19742432.33 19866765.06 16858043.66 6565731.614 7461397.789 7796047.525 3359951.579 3091587.502 8170795.62 10181409.15 8167393.392 6043126.031 6029630.907 6625030.323 7215966.792 7890554.126 10956835.41 10642595.04 10258134.42 10810868.36 10712498.24 10788927.28 12258464.19 N-acetylglutamate_m+1 449851.5652 574886.5449 591615.9369 717478.4937 640499.6952 18690754.95 20801854.01 20337419.29 17627017.35 17686660.69 18392631.39 17562169.16 18556126.2 15884202.23 16315905.82 15404683.46 16853342.19 16966130.61 16631573.65 16153590.52 927318.1609 1001293.958 1003289.74 1180978.304 820389.9686 1548363.547 2431969.895 1637077.129 1648579.745 1854404.217 1110815.292 1948820.264 1680544.23 1395630.95 1228299.699 1872611.859 2142191.233 2219589.806 2144486.265 1819704.682 580851.9556 713978.116 760956.2573 532362.9092 373098.2041 528536.5953 823322.6725 601289.3809 361411.0477 413732.0211 585526.6084 750219.7736 791584.6136 901876.0427 815444.4463 710696.0216 849460.9379 957000.0973 860420.1498 816060.5056 N-acetylglutamate_m+2 1700128.192 1598658.939 1880290.284 1917861.68 2048116.534 15235165.64 17389667.41 16959348.96 13786746.47 14473250.46 15855447.92 15680969.25 15672361.84 12633568.34 13521929.89 14431170.35 15977321.79 15909701.65 15263366.12 14672823.79 1693055.1 1751036.604 2113904.009 2003831.629 1807073.963 658506.9559 2133205.757 1392971.298 682800.1362 1143726.331 858673.5393 1685865.921 1600794.282 371027.8674 431621.6752 1776147.557 1977942.633 1963494.234 2261238.993 1640497.086 1013606.439 1049943.881 1170244.493 1177707.062 1309526.331 93518.12106 88720.75253 107043.151 55434.88407 77858.97736 778896.3721 1048847.516 973279.562 339853.5617 322180.5228 548575.2989 622069.614 672720.2706 312463.8251 504296.7826 N-acetylglutamate_m+3 3187037.905 3361101.17 3231603.857 3873048.572 3694597.981 30190380.53 34910915.15 32426948.77 28582866.08 29367184.13 29810939.39 28750578.84 29172769.78 24285627.67 25689110.88 25053016.89 27471376.62 27456434.24 25994481.61 26029880.79 2878545.585 3169817.645 3307185.207 3434543.582 3115335.887 1131381.021 2638582.228 1930384.516 1122298.037 1637344.789 1124049.087 2178739.754 2014219.874 705260.8937 868543.0756 2107566.489 2102366.83 2274011.122 2447708.73 1966932.168 1369443.309 1753613.72 1618191.828 1980496.958 1699626.518 208695.9698 342234.0886 257957.1451 144815.3237 111056.3439 1144003.173 1623304.131 1571906.182 582941.3226 456622.1074 563521.3868 898451.3459 759900.7039 597769.3218 580335.9365 N-acetylglutamate_m+4 1707434.619 1915298.097 2021774.235 1843801.829 1957342.305 5620151.435 6281466.895 6003821.825 5230868.305 5456159.184 6325826.231 5942433.953 5982947.739 5155184.449 5396313.763 5383345.651 5915351.983 6145198.366 6168027.992 5696321.51 917960.0402 822635.1982 1105833.28 1017232.979 969869.9302 389733.1155 398938.856 434132.3573 373568.485 397334.4925 336723.0449 412522.7965 371534.2351 335440.3045 325950.8624 309398.8968 330961.992 290246.9347 404158.3398 372750.0704 506537.353 632059.2245 490336.299 769501.6592 706483.5926 80879.67839 96736.18007 115219.4574 9623.830938 50728.04683 519811.2202 564377.8295 454723.1261 97932.80197 220453.357 207935.1825 159159.6419 195608.9847 147387.6647 203992.8498 N-acetylglutamate_m+5 29498987.28 31017033.32 33579391.41 34389051.23 34172154.12 98539654.36 105771412.7 101619683.5 94736739.38 96325538.24 109870427.2 102286994.2 103343438.2 94432796.25 98454430.22 98345021.91 106607795.4 108369473.7 109746285.7 105691662.5 12407118.15 13323602.28 14419950.95 13421584.22 13600656.9 10434625.59 8450576.507 9255320.622 9772874.036 10606701.62 7750949.916 7247453.612 7273295.744 7766183.165 7871320.153 6667736.017 7347311.407 8033821.079 7183293.6 8500033.519 9674699.292 11030579.93 10212067.46 13008179.72 11942078.54 3111334.779 4892048.367 3563715.12 1948326.466 2080179.721 9446638.161 10437732.1 9982324.985 4765178.357 5162430.86 5747323.654 6546052.571 5933210.529 5096840.108 6111019.603 N-acetylglutamate_m+6 1550393.322 1486422.927 1745061.098 1800264.325 1694275.777 2303910.406 2540632.752 2445964.745 2079270.465 2226849.264 2569218.254 2379462.841 2382282.135 2266469.772 2401703.349 2456914.553 2556914.532 2813081.438 2587799.034 2737468.185 491012.3532 424306.131 624717.429 493702.3631 511082.5873 167211.9645 132974.808 154995.3312 125365.3052 139419.7561 100866.6021 66064.92758 61886.44761 134496.1122 119959.1442 95504.11709 41322.97182 91047.20284 46213.00324 129876.8396 335758.2842 363653.4186 328182.4015 521207.5072 550006.5564 0 0 0 0 0 291157.1367 278026.854 325662.9717 14421.53147 0 55868.42292 58798.59096 97675.34383 24944.15126 43109.84584 N-acetylglutamate_m+7 11891358.72 11573749.57 13012190.21 12537144.86 12627561.13 4709956.007 5613041.544 5349952.685 4426190.49 4525721.074 5737747.257 5442238.678 5223856.663 4314625.005 4755354.821 5646741.264 6529321.407 6109603.7 6009999.658 6014626.723 3259277 3556715.164 3808283.698 3302747.58 3870402.523 153652.5647 348400.183 223194.857 65494.40897 306314.4643 231316.7709 348488.5887 247945.495 52887.53448 87550.05463 342302.5057 372124.1453 315533.9758 289459.0499 427448.6949 2539572.408 2617143.347 2343883.567 4493591.628 3844997.956 0 0 0 0 0 2230653.699 2378867.835 2455481.84 14518.68927 47875.28481 154539.021 159762.5186 223366.966 57026.49187 92329.73314 N-acetylglutamine_m+0 415741.5934 525034.4142 424894.5925 438045.992 388415.7275 905513.4841 1125123.337 1166712.675 741038.224 805854.981 1105097.952 1237692.805 1150180.607 726728.6029 729025.7941 1071593.185 1068871.381 1092735.288 819221.4952 780595.6388 205766.5608 222747.0706 194078.2777 251844.6902 156853.3477 358699.1805 319031.1181 325873.7883 313923.9221 317882.0358 194240.8891 262280.2997 274838.1002 250470.5465 218669.9685 405044.8018 344391.6707 347660.7427 374713.178 321931.4601 190615.2189 213415.6405 258199.9227 156337.619 137284.5902 197674.3286 284740.5178 234965.6807 98329.17038 87705.12984 193054.7369 237472.7332 259361.6086 285133.6198 291517.4167 290752.383 309907.4785 321395.8622 255939.0344 290340.8557 N-acetylglutamine_m+5 1285076.697 1385234.528 1349090.07 1335144.08 1229606.551 9662615.938 10303377.68 11535346.59 8517009.894 9015803.413 11173350.66 11069197.06 11561865.54 8477586.578 8812053.904 10693006.19 10431149.32 11277588.37 9652121.963 8873031.224 839183.7868 845447.4579 865938.7822 905986.9668 735436.8824 4083485.414 2784237.639 3561497.932 4286689.497 3801665.62 2541711.572 2574072.501 2622781.345 3286712.791 3395533.256 3134473.113 3209545.976 3261102.356 3174700.945 3125204.206 2087925.11 2004890.743 2365255.171 802758.7963 635665.5968 3835648.717 4689941.73 4199296.518 2509277.671 2706412.178 2188794.701 2164107.858 2415131.711 4018632.104 4107181.803 3526512.572 3451549.671 3592331.539 4043553.024 4279813.41 N-acetylglutamine_m+7 446568.2216 461635.8632 444806.4409 402965.5913 372811.6179 348439.7846 391693.8936 404563.783 323730.1104 316694.1339 432622.3796 395628.519 405531.7201 296141.4603 308805.1396 406680.3854 361202.6215 442850.1612 399074.8735 367985.4865 168295.0327 148657.929 148297.6792 167411.0912 148304.1672 41163.23926 46851.33595 81637.27962 27806.10926 53019.92121 35565.98729 93282.99907 81036.24967 8520.234658 10172.74901 128914.1557 112733.7934 135094.9204 122862.2057 118515.7461 145906.1159 157204.8277 150681.3479 174962.2213 151967.8741 0 0 0 0 0 123088.4383 159180.5635 150171.2161 51852.98575 71528.26829 139201.6443 103735.6954 133847.8333 58273.69295 77707.2128 N-acetylmethionine_m+0 15376452.34 13892659.1 15252077.31 14109586.26 13470880.39 22999694.1 29203209.48 29195027.13 19906937.42 22330783.74 24526722.47 27354838.42 26727731.42 17399727.33 18877455.63 24325965.75 24272935.06 24383310.37 19957032.48 19069356.64 8077227.149 8737556.833 9097264.952 9889391.579 8578699.244 11557382.88 13833870.22 13175766.32 11651970.51 13812887.34 9734850.277 11894564.75 11361707.72 7957224.228 7896616.13 14980396.74 14375893.45 13564624.47 15107377.24 13587525.74 8237434.954 8889746.208 9062842.284 6645792.553 6310317.516 6296774.179 9238656.563 7506061.812 4570971.065 5002035.457 8479182.743 9347247.902 9857994.641 9523705.557 9758288.124 9685288.354 10248666.09 10993349.93 9119958.725 9865756.687 N-acetylmethionine_m+1 1033360.361 917417.9601 1220601.85 1225244.71 1073251.575 1533196.241 1961628.953 1906392.116 1105635.238 1503886.584 1754213.13 1691121.487 1865094.808 1081977.888 1090617.635 1582147.516 1450151.819 1497075.566 1265593.447 1347853.412 578081.1639 715122.6724 652925.1475 547878.5146 613998.2067 709909.1248 1009733.467 940605.055 665958.6882 878899.2775 679657.5417 794983.959 755782.414 373068.8834 385966.7046 881731.4204 890257.3211 816080.1808 800135.8045 859353.1693 503638.2473 299295.9143 657264.4824 209185.4013 348268.5276 185404.6978 366498.3549 407479.0049 165316.4105 132112.47 438284.8708 683770.2146 499657.9494 754994.0548 552647.2216 641968.8727 524786.0805 836941.4154 563446.4744 776768.5943 N-acetylmethionine_m+2 5852600.846 5766633.582 6120157.672 4911384.236 5073378.639 1250695.581 1714527.763 1547865.374 1106568.914 1127052.64 1462466.738 1508209.695 1599397.075 948377.9704 949237.5918 1481676.965 1749850.83 1366592.777 1142528.963 1201946.172 1816149.279 2417399.253 2373776.858 2410270.236 2209454.063 567694.9208 937464.707 998171.6782 150276.208 876190.9914 600123.3069 477092.348 837375.1304 57247.32104 54109.22884 1047755.041 1082164.416 1184136.399 699187.6739 1097246.845 1324994.845 1310647.264 1438355.114 2265816.294 2193854.914 0 0 0 0 0 1251940.36 1296299.339 1386999.571 228789.4937 199972.0064 482752.7744 543911.4025 909701.4924 310611.3317 353136.1317 N-acetylneuramate_m+0 6216550.234 6312866.903 6968178.983 6884203.048 6677142.64 7821150.904 10890820.08 11487804.97 5408891.785 6345030.937 8814455.901 9713762.598 9683650.652 5117788.889 6510752.98 8160033.297 8732411.256 8884077.572 6341524.655 6187692.413 12665224.67 12170756.63 12844163.28 12384633.07 11978432.27 9803605.931 12157610.06 11192484.89 10657292.82 10651400.68 8815880.482 10021486.18 9157860.568 6458474.755 7496961.779 13468679.86 12555419.67 12847522 13389225.37 11900710.49 14418309.96 15109679.58 14026338.52 14702505.33 14493801.06 9525676.543 13509677.8 9659975.754 6806554.661 6477677.343 15485680.18 15009059.68 13912798.42 15095522.57 14436031.44 15441114.64 16513996.66 14447236.85 15273030.41 17270751.64 N-acetylneuramate_m+1 666502.7935 817606.6557 837167.4641 781673.8655 798304.0719 870692.7014 1241197.193 1234377.304 524308.0497 613760.3269 1009578.731 1135074.544 1088940.466 578241.7536 709875.1228 904155.633 1036913.733 1001330.772 692971.3441 675348.6044 1636990.837 1516073.265 1509272.413 1647402.549 1510878.596 1049389.148 1336604.851 1230121.431 1140903.196 1242372.04 955497.2749 1138461.666 1037386.653 748242.5399 858172.3914 1509681.679 1537312.688 1450699.459 1597679.697 1371407.168 1727763.27 1873863.625 1704596.764 1831342.925 1809811.223 1000008.449 1613708.545 1100794.999 732287.3807 693616.7094 1841253.261 1826422.7 1666056.011 1720911.209 1630932.749 1633408.077 1921761.998 1579310.434 1727896.803 2006279.297 N-acetylneuramate_m+2 1608543.365 1572552.74 2030461.148 1710926.885 1869998.406 60154.91526 145369.7158 229652.1311 29997.63266 95144.8224 120321.1755 142727.706 160515.1834 40862.83121 50566.10692 156880.2069 169052.8291 136396.2856 93716.49116 98896.79723 2967302.496 2876235.332 3123671.248 2821598.23 2962726.437 154987.7894 334317.3053 339080.6946 172061.4585 314437.543 313378.0947 343234.3941 225568.1103 65086.5906 88910.83318 542053.2665 432285.6791 387911.8796 325629.9961 437250.4747 2669574.206 2760925.192 2134516.329 4768660.182 4663775.174 98917.4184 248295.0733 208881.5658 86665.26292 83299.05765 2730384.087 2396270.211 2062517.918 432621.5148 412080.3216 637810.39 714067.4324 544424.3187 465969.9865 554671.9172 N-acetylserine_m+0 48305368.06 53317895.94 47610798.37 46918736.77 45014239.11 100731314.1 119076440.4 123551983.8 80301689.31 89012122.86 113821994.4 121115794.5 113488015.8 72303092.11 79445713.38 107222625.5 110733676.3 109658195.6 86207524.88 82155535.37 57704034.3 58280274.6 56768629.87 63287331.59 49940848.32 74599084.54 80074126.91 77621888.26 70589641.21 78605262.98 51794804.36 70318547.2 67169163.79 44906127.21 48002915.84 92088054.6 88201401.83 85748994.57 94534286.15 78673726.41 51263168.26 54933858.58 59488461.38 40901699.45 38177880.14 38834447.08 56564347.8 43609026.86 26844389.73 27533135.99 50384502.59 56109306.48 60020055.92 59641088.54 62868181.93 64661861.03 69499369.29 69822149.34 57027314.49 64458035.9 N-acetylserine_m+1 3095416.244 3307147.376 3053707.447 2959327.24 2947065.944 5378292.359 6539020.138 6778002.937 4490585.386 4867439.678 6375414.656 6626971.98 6333075.405 3891690.341 4294160.428 5886490.887 6144558.726 6097035.833 4682133.316 4468759.173 3729998.82 3769705.912 3702838.969 4079368.08 3299513.632 4000668.018 4386663.499 4247987.145 3726949.325 4251616.676 2818961.44 3866541.275 3619517.524 2450287.515 2543963.038 5050452.351 4851756.349 4779265.975 5205688.392 4292571.646 3115012.272 3228230.023 3559481.112 2728016.256 2542755.057 2023297.131 2993439.366 2296900.63 1441389.412 1386197.4 3003830.909 3292526.154 3485850.469 3281292.615 3336580.139 3492600.108 3868771.089 3969125.063 3018789.314 3438821.992 N-acetylserine_m+2 17504571.82 18984612.31 17840224.47 16631830.18 15886927.3 4965947.822 6170057.403 6269997.845 3955776.294 4483905.337 5923494.562 6119660.852 5646169.535 3468757.777 3990755.707 5975413.421 6318969.134 6222576.981 4938457.017 4744009.299 14635897.04 14903310.75 14501614.18 15106805.63 13958719.3 2046269.677 4110563.4 3781814.7 1446222.546 3040664.84 2290744.541 3963769.848 3738811.204 688146.4702 974665.9816 6360246.415 5277476.227 5316752.912 5995060.135 5233622.27 8568350.444 8713677.893 8758396.898 13504062.19 12080131.76 430944.784 1057237.721 599594.2774 252188.5533 212158.1901 8184334.652 8243559.014 8331920.114 1903469.93 2159099.416 3800426.475 4330626.634 4292160.512 2056345.788 2517904.561 N-acetylthreonine_m+0 6973216.301 7538034.618 6269706.711 6228224.516 5885484.557 9796187.135 12190713.31 12502974.12 7290033.769 8930967.276 11553890.95 12777385.42 10925944.12 6763002.147 7560222.148 11477769.04 11546275.44 11112404.49 8475810.702 9272070.304 10969401.99 10852288.48 9895039.565 11376985.39 8729852.13 10860020.48 13097326.43 11921577.3 9079052.012 11213291.19 8102017.364 11895035.91 10871518.73 5864173.431 6551541.145 17033605.76 15352766.2 14903663.85 16498881.57 12872084.66 8870681.551 9663756.94 10470095.78 7780171.907 8339690.404 4975907.876 7507125.602 5710387.661 3541320.975 3551312.198 8759726.415 9609698.098 10284204.45 8698937.515 9239564.123 11169636.68 11903799.36 12518489.07 8449321.991 9820418.964 N-acetylthreonine_m+1 442678.5503 467684.7162 333650.347 381488.7183 352527.7236 509936.8503 644204.3994 696686.5739 350809.8038 484707.8 629129.3201 618857.8365 582012.0688 328698.8819 387032.432 571389.1866 648309.3185 566712.3482 443970.3954 478797.0242 741617.9656 686998.1234 669707.8558 671234.6271 545898.9939 565626.509 725191.006 624164.3474 460055.5277 644607.3809 420330.3979 685291.019 641333.4409 314072.5183 348080.4706 966468.4321 880085.117 821290.4341 916916.2957 745018.5723 518276.6346 554191.1127 581707.2092 515631.2158 530912.3872 191213.4665 404986.1186 299383.8343 158009.4306 173479.1822 485586.0863 580690.2948 570516.8761 483979.5385 564890.0479 584820.6405 623256.7402 691408.6298 480794.0833 577560.125 N-acetylthreonine_m+2 2006498.068 2177634.991 1911696.28 1781373.106 1737303.894 324205.092 431716.7005 406462.904 218499.1311 308481.5375 397198.0511 423617.7116 358459.9943 199935.2485 226949.7226 380793.5062 454430.3116 401486.9173 276652.4363 331967.1593 2482802.907 2550954.918 2274826.652 2386698.02 2067924.944 200454.7025 437474.687 372921.3781 122038.4962 264182.6338 198513.586 426843.6497 405504.3159 56123.85361 71313.40736 914954.6889 685128.8289 670914.0344 787414.3332 631663.5882 1324332.644 1379951.243 1295683.949 2225171.723 2354011.292 35650.80541 54034.39347 30885.42913 17304.85325 4887.05614 1267230.107 1294241.974 1248457.92 187783.6021 230526.6166 467946.7648 436845.6074 613194.9606 217110.6093 264666.6194 ophthalmate_m+0 1752306.016 1930865.389 2126339.528 1831279.187 1817662.746 9847768.845 13842842.14 15204892.66 7962122.171 8241980.394 13597188.34 13321029.5 13415952.49 7284918.39 8328195.237 11414687.74 13241668.59 13293347.53 8611502.124 8786042.246 1523999.432 1582327.734 2023656.671 1717406.727 1184796.038 5226711.872 7694856.83 6740113.279 5618876.764 5867995.662 5047073.353 5757277.584 5843746.136 3702579.892 3475729.505 9290345.541 8810335.335 8978693.33 11892503.12 7366057.518 3793743.515 4511152.34 5590181.567 1544861.018 1394447.025 3928170.918 5167976.906 4021740.488 3102995.855 3011045.988 3985522.543 4722172.15 5687883.098 5994715.149 5236936.533 6879685.04 8392127.32 8007959.316 6087118.779 7240204.926 ophthalmate_m+1 353324.5148 405345.9727 364356.3365 364851.9955 381268.9667 1748959.199 2697364.85 2784783.989 1293041.318 1384690.255 2276830.554 2268785.358 2380404.54 1035739.125 1205845.509 1907761.801 2181429.16 2034997.446 1266360.916 1287890.237 564233.9834 599511.2472 721586.5424 733064.8502 432252.4214 590359.4069 1333509.336 991744.3565 674679.5851 757041.86 675036.1755 931809.5048 815314.9893 371191.8991 396003.3664 1465750.672 1362360.44 1462401.058 1945712.862 1192636.933 484704.4942 747364.1846 780621.2148 369260.2885 383242.5143 412711.7918 503461.3581 417883.8772 329227.5488 280829.1765 534907.8099 718718.395 846829.3659 706401.3309 599218.9363 808904.4782 1045882.176 927653.9174 684262.2617 801784.3458 ophthalmate_m+2 456309.461 516410.9762 557611.1694 486407.3424 503192.9577 610891.4506 1280869.328 1278380.828 427934.6079 517094.4707 830142.3076 1004146.513 914732.3468 254864.1381 376551.6308 704517.9895 885594.5203 868530.8818 388377.6729 436734.6634 609216.2626 579550.2428 703642.7654 749795.4681 448240.894 61474.96639 603888.8863 351929.6753 70906.44078 244080.4511 192699.5654 369397.3353 404266.7811 0 0 650455.9873 550766.2357 558486.1804 805177.0947 493344.5095 290065.7494 459687.7507 495474.9453 458508.0032 475377.4911 0 0 0 0 0 258983.4198 372514.0639 464236.5268 60685.06532 70752.6189 268833.952 273833.59 361681.0539 81933.91783 112297.6954 ophthalmate_m+3 2220127.471 2519814.941 2573873.421 2441566.127 2302054.664 2322406.52 3695810.945 3881191.716 1692382.584 1762425.106 2998780.123 3006185.308 2733866.187 1250986.725 1487773.72 2485028.626 2732897.912 2624508.631 1521866.977 1594159.656 1660989.841 1626727.321 1899097.524 1852898.226 1388395.634 370658.8169 1042134.495 893205.2932 279729.9008 738229.2381 676393.2422 787585.1076 771560.2511 83910.05638 108027.0545 1328585.389 1210616.535 1195049.648 1717874.595 1037848.067 1009485.018 1484933.621 1597951.959 1492245.845 1590723.831 50982.81704 139630.2738 103379.1387 57510.28916 21124.53307 992489.3158 1436636.885 1443661.599 311417.2379 357005.2547 744171.0708 967876.6157 823932.1346 315660.0118 444706.9366 ophthalmate_m+4 1032007.518 1096564.859 1235208.704 1211774.045 1074646.884 462815.4128 742796.8021 721574.0025 333237.3968 311253.6021 617471.3464 620313.7161 577419.2388 168234.7675 307613.1364 480118.8852 556560.2361 575511.7075 317979.0009 336948.3677 343708.9935 307223.323 416038.3961 359362.3693 262060.7524 112604.7086 152681.4191 147239.3201 60835.81308 148106.9755 164900.6749 119854.0652 86182.72042 14648.52939 40715.77617 193436.9162 163441.3726 206458.0245 193068.1961 164663.2378 272666.4023 413049.1046 413211.9302 456988.673 492085.0471 0 0 0 0 0 351690.3753 356178.8547 420128.6428 117140.8495 101278.1096 232959.8723 260195.857 213319.7211 92810.83264 143723.2051 ophthalmate_m+5 22122184.45 22369323.53 25527489.83 21921344.19 21746105.63 7906089.641 12385022.32 13023871.39 5638868.437 6182833.474 10682237.42 10778044.31 10601041.01 5183743.017 5705564.537 9667252.187 10609825.39 10611621.72 6432252.722 6668252.377 5246096.887 5435570.337 6252276.526 5617191.487 4728024.323 3492242.776 3009268.131 3515471.507 2786575.016 3717025.036 3362058.751 2504668.68 2574912.048 1722357.593 1670287.208 3526392.794 3403646.526 3448410.06 4389503.111 3497059.587 6653775.066 7750145.134 8428440.313 8345635.99 7700621.545 1721822.542 2836315.686 1996849.548 1236004.632 1308764.503 6757525.331 7579434.51 8132863.723 3249066.869 3631047.7 5618822.296 6170920.033 5349843.473 3341596.895 4478536.415 ophthalmate_m+6 1218971.869 1283085.949 1508509.314 1269864.38 1197719.411 402691.7413 649220.8924 712643.6568 249379.0446 305291.8173 548193.3487 521678.9157 529301.3518 185445.3133 308775.7319 470111.3565 602336.617 598071.5065 275687.9291 335155.1987 269805.3048 240154.5694 314210.4357 292024.345 237003.4034 174884.4188 127680.1555 182509.997 125132.3414 159202.7953 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212433646.6 196698100.3 200824961.8 204068574.6 166274003.6 97880667.86 123997787 124044600 99282064.85 94883745.27 19493951.41 37686542.5 23081610.52 10979484.05 9484373.208 97008438.67 126396721.6 125546293.2 76840070.15 86348371.72 77571536.9 93272841.48 97288562.97 56045375.96 67814334.73 orotidine_m+2 14823375.06 18277545.5 16436507.62 16443880.23 15492342.54 5064021.093 10938390.64 10603844.2 1334081.882 3192109.921 5714329.96 7428035.321 6010872.458 1438111.135 2105540.168 5332118.66 6153557.919 5477003.709 2963534.851 3194409.966 292255361 306614914.5 293235574 313991310 280630742.7 21734697.21 103364926.6 58185791.53 14120093.1 44940714.73 29598541.07 79865743.59 68848226.69 7320267.645 11509750.82 107895911.4 90703860.74 93244036.42 95394968.6 76877593.55 124969489.7 162528325 143661818.4 219317965.8 217193387.9 2262188.682 4394012.821 3151647.98 1439102.3 630058.9899 119727063.2 151764002 139528777.4 16704472.96 20426364.21 22821198.23 29743424.43 33103267.39 12504050.56 16066815.89 orotidine_m+3 32556368.44 40377674.31 37413277.36 35861897.9 34180785.14 5541707.142 12775939.13 12348612.28 1498924.183 3459039.389 8691682.922 10691219.66 8825994.793 1943576.93 3039083.774 9522142.56 11552386.38 9890215.922 5876821.185 5992205.441 415865934.3 434713158.2 424316270.7 427455662.9 422184214.2 38456742.64 129340274.2 93079228.1 21866288.8 75241484.52 55901768.58 112284121.6 100842180.9 9519872.629 16917120.86 160148675.3 134115919.8 138032078.7 144954410.8 125988795.1 247368626.9 291960778.2 264909027.1 406827409.1 400492540.8 3606525.265 9861217.695 4429705.318 1298865.176 847380.9739 236351897.5 273609940.8 259428024.2 31615762.38 42267633.49 59654994.59 76920096.3 78851800.2 24784417.81 35167599 orotidine_m+4 100870802.8 124536477.8 116053304 112164470.2 105151288.7 13002464.62 27453876.61 27304814.07 4202190.018 8531396.161 17497813.51 21371765.72 17804819.08 4527330.436 7044084.916 16585371.38 18700915.38 16961972.9 11018901.44 11210183.41 1024451454 1054738354 1046465294 1073853890 1048363032 95684310.11 243655655.3 186455954.2 53144913.05 168477251 115589110.5 199398340.3 185592236.3 27885448.89 43177080.91 260347038 221002909.7 226619149.4 228309199.6 220301141.1 633282655.3 758102263 672104067.2 1072630169 1059483604 12037201.49 29414841.09 16086071.87 6043630.947 4488152.975 608270266.7 710198833.5 654138004.7 67246831.18 85951769.39 113366671 143793365.6 141244936.5 56713032.98 75652495.28 orotidine_m+5 6510625.1 8081086.613 7547872.094 7552117.484 6773852.198 704299.752 1474531.07 1552123.822 243733.6046 475246.9612 921382.9131 1124940.057 1010344.315 211829.2126 326130.9275 850896.9018 1060624.739 953331.4759 565385.4955 600547.0591 68307979.65 70122658.04 69011261.3 71008278.05 70366244.51 5823956.692 15225579.03 11465337.55 3237640.341 10246692.38 7485747.639 13054982.05 11147154.89 1554494.06 2565894.586 16214604.74 13804141.3 14145243.48 13942903.27 13604307.89 41379584.22 49504325.19 43516719.81 70197763.21 70029356.62 710941.0375 1715793.296 922188.0206 314513.3868 232563.209 39932278.61 47704176.57 43754396.68 4087822.511 5503039.624 6832575.228 9028769.767 8886340.157 3394682.311 4600394.295 oxidized glutathione_m+0 494245.142 420023.9464 416787.0614 340140.2073 338502.1421 1621636.361 2032782.683 2169588.021 1149188.982 1513797.606 1729160.466 1883963.773 1693345.068 1061764.054 1177314.035 1524763.319 1768236.408 1664782.294 1155497.041 1220465.67 336434.5109 329489.1781 399402.2692 485123.8708 238164.6347 2314100.469 3304946.758 3049151.975 2094090.747 2424467.694 1656842.497 2574578.287 2418152.198 1170095.631 1241396.749 3327377.415 3287278.251 3205277.896 3377084.577 2537458.573 890093.0957 961763.6615 1231174.386 289977.674 243642.7347 1115002.861 1535405.69 1166766.85 841217.1851 928183.4232 886117.4111 1067513.754 1171263.422 1855195.763 2001505.19 1975933.077 1949166.357 2329571.382 1670501.758 1852557.914 oxidized glutathione_m+1 74633.32204 79102.07727 69871.12247 24451.57675 50859.65753 424682.0781 508645.5489 614972.124 273069.9299 354579.008 373091.1345 465774.2249 428225.0467 238267.8108 325066.0565 346535.9811 339661.7114 391331.2567 247750.9402 301526.1829 105105.2083 81593.88666 176056.5755 180595.6779 86969.19073 466136.5443 868189.6624 834518.2103 495658.9061 523823.8905 378928.2906 626807.3757 624857.7859 225617.1859 324759.7734 951377.688 936299.8164 834715.7682 879378.2044 643846.5087 164868.083 209174.0453 215201.5465 29280.33087 36735.59485 221228.5961 321635.1463 236799.532 197400.1859 175522.2021 196467.6519 241690.0883 278750.7766 377318.9365 364898.0965 436742.1816 434526.5059 524405.7141 394404.8786 418309.1199 oxidized glutathione_m+10 3429526.16 3430521.623 3686819.346 3340708.501 3133661.917 183698.8653 249689.7628 238326.4336 174521.1655 156547.327 306463.3858 195633.1384 216166.7001 171680.1498 169208.7459 198320.7983 237642.563 223426.6786 190010.2364 189990.0516 2744231.803 2857677.505 3485066.505 3083533.461 3081890.319 522333.4131 445535.9076 575595.3182 369545.1623 521044.233 410803.7625 332689.6386 390410.5612 179029.1667 213297.7514 458409.9267 428605.0492 475957.4507 361333.4911 536601.0705 1633475.314 1835316.189 1604531.621 3283798.113 3045871.68 122854.8596 257575.1484 191321.7976 92377.22221 103645.3026 1597702.621 1628866.228 1493433.857 312444.5734 397455.8329 500399.7306 656335.1417 657424.7832 361974.5675 484645.2434 oxidized glutathione_m+3 177520.5228 159667.004 211682.7934 131312.9434 124798.6559 307304.1981 440929.309 438250.3263 292570.8924 248450.3525 328081.8107 328703.7306 325419.4859 169867.1548 197562.2203 245227.5902 300209.8591 295880.5545 206011.1916 217634.2964 449015.4705 415523.592 533796.9669 589644.4364 429027.6444 235326.0004 671460.0104 481213.1886 217903.6218 415695.998 274652.4422 550017.2857 452120.2319 44129.78232 80669.58241 713175.7187 684713.4981 656252.3864 696277.2157 535853.534 272712.5318 397291.5764 362804.4649 293679.8906 226507.6594 25274.97839 52932.55993 64129.99815 52366.38792 18533.78619 328835.6018 360605.6495 343429.5098 203354.702 209175.5473 223140.3796 260980.7794 344183.7085 142481.9578 214358.0733 oxidized glutathione_m+5 2962385.389 2985381.235 2821275.432 2454951.011 2437632.533 1340197.831 1676321.534 1807937.498 1194105.823 1234690.13 1473437.65 1472818.88 1442081.056 939319.186 1028459.621 1183073.701 1316887.157 1310624.772 1114751.835 1122163.257 2378781.627 2423444.309 2655395.467 2820693.194 2425402.747 2294565.006 2806111.608 2893356.955 1901225.626 2516804.825 1787967.134 2168783.155 2172179.104 1089876.638 1159885.204 2852703.07 2608603.088 2794159.086 2548747.119 2734977.012 2579997.934 2825157.393 2939822.815 2459330.827 2003142.884 911776.417 1520550.724 1030638.075 674126.9908 616054.8334 2528430.742 2865054.528 2813108.963 1716874.768 1914882.01 2351582.189 2544869.842 2525750.42 1708558.849 2033169.075 oxidized glutathione_m+6 435065.9579 421966.9625 475835.4063 448251.6512 482733.6153 218702.6805 257510.3937 292361.3567 171369.3161 152872.9582 186528.6458 214690.866 221588.9992 112033.0979 158465.2282 181810.2424 179187.272 241200.198 163023.0823 151813.1191 729211.0788 732185.4593 864848.1136 854707.0358 665385.0195 334180.595 553684.0371 499511.9957 259721.1081 377490.3757 243886.0925 371968.2742 353324.4845 103049.3679 103867.7991 533675.387 424456.7599 456998.0597 479385.0811 468595.4251 450774.7066 528791.775 526148.5968 485239.0709 413309.3303 96477.36027 159764.9387 123836.0246 57039.77341 44054.1275 406166.2776 566072.8654 459730.541 230847.6324 270165.8643 295298.2794 366749.8455 460889.3538 187081.9127 284819.8032 proline_m+0 3212146346 3224853447 3446090428 3172025862 2956600842 5211372097 6068114920 6338985488 4752500996 4859300382 5870905952 6093225314 6000016748 4692359750 4840608915 5476353680 5766766249 5701525221 4923668056 4908762934 2404743988 2415115403 2453202932 2635218863 2239428432 3640091739 3672904929 3856132978 3623222125 3633809796 2878122717 3100691945 3306697853 2978780264 2937906942 4170259114 3990406938 4118010874 4584989584 3721929724 2746586249 2748179077 3184557438 2203720358 2138925519 3505901730 3939805752 3605806596 2612250549 2637696039 2783019455 2908414350 3277990127 3453128092 3741603350 3784966912 3915859392 3909807747 3557191029 3849140440 proline_m+1 196889424.2 202512132.4 214080756.2 201509048.9 185064881.6 313752369.1 381580038.1 395756247.4 278462968.3 291325215.8 353976381.7 374482643.3 362644094.6 270819682.3 287921142.2 332352349.4 349225605.8 341072708.2 288168529 289440086.5 246532965.1 252584854.9 245276503.3 271096652.6 214906307.8 214915631.8 278733020.4 260441851.5 213039527.4 236328708.8 179039099.6 229426934.8 237809056.9 169414791.6 168680654.6 311366987.2 290178107.9 300305778.4 334893267.5 260881898.4 184443947.2 202078567.9 227590095.2 173680422.2 174793244 197928060.6 223500287.6 202946784.5 146246819.5 146814988.3 186432692.9 210344023.7 229660441.8 205622411 217697638.1 229243305.3 237929704.4 246112434.2 209137590.2 225093907.3 proline_m+2 56931442.13 66280402.22 63001847.95 62189570.55 57925934.6 31751431.37 54252552.82 52552243.11 21315375.04 26231055.38 39247418.26 47614788.07 39695570.71 18839029.98 21296126.02 39091789.43 43270014.12 39833820.87 25602895.75 25860042.41 158920061.5 175084609.9 162794820.7 176482064.4 139100297.6 28857389.56 93427641.5 75310855.45 19747672.98 60275498 46007345.04 78557317.03 75886434 7974358.63 11314713.09 104785341.6 98877251.01 101665751.5 112337373.9 89947860.36 76226575.95 97285396.8 100123776.3 110241603.5 113339822.9 7508780.105 8864530.216 7263956.782 5116454.095 3874147.087 75932531.79 97425341.79 99400921.17 26692176.69 32582992.61 52672307.06 64342366.78 69600775.68 24931581.78 34911722.01 proline_m+3 236033143.6 266191330.3 259976375.9 253719354.9 238350589.1 86549241.17 143995365.6 143790108.3 58632296.58 73261242.34 109348776.4 123972005.7 107369149.4 50258859.5 60996997.78 103912541.7 119085158.9 106099130.4 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74385643.03 76639606.99 101773886.1 101582170.5 5116734.649 8423641.574 5604733.107 2765271.251 2814152.802 67616465.42 74466771.02 75768877.25 15238525.51 20131447.66 34317181.67 38364201.58 35965711.92 14488131.49 21558017.89 proline_m+5 2185617936 2313237504 2405775209 2171703099 2121532144 272218068.3 442874004.2 445672952.2 187375562 232065313.3 370118980.6 413616413 360672362.1 189464989.7 214755587.1 384352984.1 429291389.5 388763348.3 271720900.2 286664994.9 1518807014 1633483790 1628734219 1618253028 1468822646 397974797.4 474686358.4 576684754 229873877 554743449.8 469187011.5 422847600 448343732.4 117924304.8 138620001.3 524124306.4 539719922.9 558980756.5 567140181.5 573030810.5 1333698446 1456480102 1492909630 1975808314 1978607674 118461294.2 204718639 132959860.6 67927471.78 69981312.22 1336693702 1446057042 1479747121 329976666.4 452527442.8 738543789.8 824194752.7 782991048.2 334442180 489949548.2 pyroglutamate_m+0 21756699.44 12955299.63 14935997.72 15946408.31 12034987.59 23329846.73 22217900.16 27563161.77 26764151.83 18800947.75 25685435.11 31170417.64 21990620.23 21363058.42 19769234.38 35922285.9 27222250.64 29989189.96 22500776.43 21134105.64 25936341.39 24924504.27 23056237.25 26829775.68 21729327.54 26721159.32 25248751.44 23119699.97 25159297.94 25181687.23 18586322.2 22519783.88 25645553.29 21446750.87 20704331.09 36842602.69 29279454.69 29730562.21 34954409.99 26218001.79 23007666.95 23670740.04 27352618.57 27413176.52 23185490.69 30078837.22 33338458.43 20989122.49 21613382.89 16700293.65 22932083.95 23442542.07 26272415.4 26791595.92 29988132.09 47770728.35 44220273.31 41146941.97 30786970.08 30265993.49 pyroglutamate_m+1 1283532.168 852692.0661 912429.3842 1018901.636 730034.5642 1570730.691 1384773.813 1796329.516 1628910.144 1181666.118 1629430.98 1808618.857 1350528.559 1227739.971 1062742.125 2091417.848 1653018.526 1769012.486 1209606.582 1156323.614 2061374.151 2007364.65 2000054.425 2176910.994 1728730.986 1517082.028 1715534.24 1422719.462 1483517.586 1515865.306 1110509.822 1534073.949 1745846.91 1235428.493 1129312.546 2250742.703 1932748.585 1914232.977 2131890.958 1628805.565 1331984.811 1509867.606 1688335.789 1762305.291 1513074.396 1534760.912 1856528.136 1158430.016 1115157.463 903223.3167 1434569.763 1526839.803 1642422.13 1502051.482 1679014.585 2614994.002 2378577.093 2397488.79 1720400.968 1651296.764 pyroglutamate_m+2 185540.7891 299314.7229 218009.7415 283034.765 252672.7034 150601.9769 225542.7469 190769.602 134852.2791 109141.9501 113428.2053 145668.2804 142885.5207 73235.49275 105534.4962 152303.4384 189262.1947 119183.8238 92415.74917 110389.872 977425.1292 1022519.046 908750.9249 1063654.473 850065.5083 111233.8437 352817.8972 202852.9334 46192.62399 206127.286 110035.8815 228148.1898 232824.411 33102.85772 60314.0695 377373.21 312298.2917 297637.4501 386599.2653 245613.2275 281474.0737 387166.2698 345502.1554 556158.2618 613458.9295 0 0 0 0 0 300850.7428 344370.2791 329063.5831 57743.5855 85095.28416 166138.1888 160658.4956 204186.2381 96600.75558 114015.24 pyroglutamate_m+3 1590505.575 1562347.574 1645676.562 1580177.676 1455259.118 754414.8735 909283.3608 934139.7329 640449.7401 605215.1734 772880.6418 765740.7054 631446.5061 477528.4449 493256.1754 764579.7954 831617.8452 635023.8575 587215.2049 488090.7349 2967960.413 3099584.805 3053377.977 3241164.036 2775232.693 593377.0384 1023398.681 731827.0314 543358.1422 786200.1592 488146.1916 804682.3793 731957.0126 231387.1595 248837.6653 1050038.363 844774.3524 928371.8809 978518.5246 754208.5503 1289276.867 1769741.36 1490394.578 2073902.736 2214097.18 200001.7953 315023.3473 196842.6237 100677.9502 72950.14825 1438293.188 1626966.661 1359675.888 471143.2282 535854.1338 680085.4973 945019.8486 836567.1886 445017.2115 599207.862 pyroglutamate_m+4 1206084.279 1229478.976 1225303.207 1210037.12 1198665.006 1364776.429 1249779.433 1341642.194 1565908.899 1105599.733 1457292.694 1499816.747 1373127.454 1220852.446 1233433.813 1680614.52 1584858.454 1277611.54 1328490.817 917485.7019 1454670.886 1466198.003 1369165.964 1646912.693 1439572.393 1112735.792 1094150.223 1042930.36 1082082.322 1133502.046 897137.445 974440.1474 948714.8678 880242.4832 859365.2786 1512670.198 1193956.495 1343077.003 1520705.378 1137609.595 1378365.231 1342937.728 1285177.075 1631041.887 1602042.57 1147722.838 1249443.773 1009275.787 762617.4351 554123.2467 1394632.102 1343877.639 1393579.888 1210949.51 1467208.137 1649927.357 1973514.677 1774824.53 1532944.963 1559248.54 pyroglutamate_m+5 32414938.73 29937351.5 32976569.63 30307941.56 29162406.46 47717709.16 31134800.35 32128693.86 43139087.7 27126973.58 40246457.65 55686400.71 34773880.51 35193726.86 32543034.9 55157258.29 43419844.57 48489049.9 34135859.91 23850060.72 34220534.27 32911758.98 34148984.02 38541328.74 34137185.3 28890014.01 29237987.43 29567686.99 26690170.01 27645261.6 23006794.3 26081116.52 23589536.74 23404536.43 23333570.8 39525041.49 33097717.3 34905630.41 38143179.24 29260600.31 34620381.36 34136019.48 35097703.24 39668840.9 37778297.63 29179332.19 32671561.32 25927012.59 20711886.31 16845621.44 35566378.84 33921674.86 34448512.09 32916357.26 39387400.23 45634670.09 54083629.52 47031897.77 39895470.47 41199071.61 S-(2-succinyl)cysteine_m+0 406853.7635 389495.7838 442317.6623 395907.4631 382058.3685 377099.5865 463804.2482 501350.307 304645.9067 303985.7698 508432.2034 559605.7345 496940.6467 339657.2889 289974.2687 405851.3259 478616.9715 460594.278 379258.3716 329791.0026 359408.6525 346320.8492 305804.4031 383620.5638 301631.4196 208965.0461 271369.017 263683.992 240041.4738 245044.6836 167130.0102 243298.2559 240609.9237 133111.1629 145412.0573 372511.4148 346254.3791 319529.8057 343521.6853 308239.3633 220158.1627 277012.1527 228284.7792 292295.7428 246979.7043 114586.5726 153834.2019 119790.5004 91667.97201 54707.11022 232635.831 262262.7161 252590.8105 184891.8802 203267.765 210425.6691 236407.9882 247521.0977 176206.5903 213266.2309 S-(2-succinyl)cysteine_m+3 105923.3195 131109.1145 132444.1387 126823.6067 83630.61937 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63657.72081 68813.24396 82951.88238 69238.00484 80433.61844 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20882.13439 14725.33144 8585.829592 33038.20534 23288.97241 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-(2-succinyl)cysteine_m+4 432121.9892 437346.1951 470149.3025 454734.0837 412121.6933 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 218229.6988 199283.305 234379.8351 244080.7266 231050.9145 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 74915.68451 63524.91451 68200.89856 175323.7096 117213.4877 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-(2-Succinyl)glutathione_m+0 2784545.331 2841377.719 3242944.382 2946527.985 2926845.758 2372360.444 3461174.967 3596073.897 2229389.389 2128939.963 3229042.048 3245628.377 3392788.926 2149967.723 2457858.732 2726733.254 3109394.238 3152325.85 2292577.414 2330401.993 913492.8135 912784.1082 1097522.8 962541.9269 865502.6019 830989.5388 1121740.926 1100088.472 777897.1299 905547.43 631447.1642 858147.3734 786373.1489 437782.8187 457506.2237 1332900.423 1212628.184 1349093.944 1414629.595 1102984.751 933893.9783 1019242.517 1062736.738 1019641.978 964914.94 531949.4891 699448.6393 532090.6241 362382.0964 330380.6672 986862.9567 973377.7442 1039013.922 852819.4059 871617.1011 829334.5485 909242.2317 1001299.636 837938.74 967955.656 S-(2-Succinyl)glutathione_m+1 415355.4098 467017.4934 507672.8615 507357.2941 416631.3545 324238.7879 473723.615 530887.1691 318147.8846 304878.2817 417391.9266 450231.0132 472276.8384 280209.0421 347711.6664 394759.4152 507753.0718 435492.6615 317503.8294 305706.7034 150829.5873 201152.491 229516.1732 192533.9562 174817.8998 97610.77061 170122.3752 142382.5165 99133.56684 103508.8442 81229.52844 119118.0239 117733.3113 44554.1214 63391.2751 193424.7738 175454.3687 179347.06 228059.245 146951.8769 142736.4262 170307.3792 180357.2093 163463.4717 165647.4247 45307.99222 68408.08453 61712.88029 26016.25101 22769.21592 122068.013 137670.1802 153266.7096 98479.342 139721.1834 81799.69556 136668.3022 127556.6603 123672.4937 133746.2092 S-(2-Succinyl)glutathione_m+2 295293.5537 257300.996 297325.3327 288656.3094 274442.9174 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 154782.6847 158663.2055 189100.8137 181049.3787 157546.647 0 0 0 0 0 0 0 0 0 0 51757.32639 49150.20833 49364.80984 36245.24757 23935.81287 52844.77071 70504.59682 85398.28351 171727.3346 159835.221 0 0 0 0 0 70317.91872 74525.88014 43008.58606 0 0 0 0 0 0 0 S-(2-Succinyl)glutathione_m+3 591419.1622 616181.3673 697498.3822 689748.5338 719442.7358 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 270558.2335 260049.3858 325841.121 288439.2222 291212.5452 0 0 0 0 0 0 0 0 0 0 48647.36907 35850.60487 58446.4901 48429.29693 30018.59852 137478.2349 167522.8266 152526.6047 308204.2729 266492.5124 0 0 0 0 0 168761.1419 101830.4547 140902.1124 0 0 0 0 0 0 0 S-(2-Succinyl)glutathione_m+4 1898504.233 2062377.653 2219370.536 2054540.274 1984192.916 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 566019.125 570534.4704 688926.7917 590316.0753 584675.966 0 0 0 0 0 0 0 0 0 0 40618.38921 30465.59914 49987.39563 42698.84626 26120.10897 353234.6272 367746.9099 316538.5479 667057.8967 657321.5689 0 0 0 0 0 353019.6799 310262.9472 329547.211 0 0 0 0 0 0 0 S-(2-Succinyl)glutathione_m+5 798775.33 717009.0632 881582.3726 788245.1471 785209.7036 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 573204.1936 591894.254 672528.5181 663656.5175 644863.6614 0 0 0 0 0 0 0 0 0 0 121770.508 84754.40554 84924.72448 85108.74268 49971.61428 333772.3496 395078.3614 331988.3411 669542.8894 616642.6092 0 0 0 0 0 404151.2109 322564.1529 333683.4126 0 0 0 0 0 0 0 S-lactoylglutathione_m+0 281677.8374 322168.695 361264.6807 345908.1169 343994.7498 570016.1111 1008956.133 1159925.545 442853.8464 438631.2369 957947.9424 1085917.695 926054.2284 403494.1164 528265.0884 910357.8369 1181113.968 1110903.637 563889.0233 583020.6965 800957.6281 759806.8965 847906.4387 780766.3162 745375.7634 2002662.384 4003123.241 2975226.362 2004980.033 2812033.894 1581459.644 3115787.211 3034048.042 748163.456 970968.0595 4126748.275 4252899.543 4547817.865 4107268.127 3540185.398 1320898.989 1901858.094 1990779.924 868094.2519 802084.1744 577161.426 949274.1404 627062.5796 430247.0746 354388.7787 1505948.75 1947895.9 1889767.977 1793113.306 2129762.854 3326880.941 3918170.664 3925550.454 1954886.868 2880981.287 S-lactoylglutathione_m+5 1509810.78 1755990.777 1833024.755 1792700.226 1583973.309 1004390.237 1402443.545 1465242.121 767930.9222 887847.273 1196521.123 1344559.093 1097369.833 656746.7823 779948.2541 1142958.529 1259572.826 1216806.935 888448.9213 819126.6918 3751713.891 3951839.366 4039367.761 3901108.243 3535067.663 1909120.906 2945594.659 2355135.906 1703399.212 2323449.554 1438142.789 2191900.699 2046014.368 911465.8805 1042107.697 2941571.153 2910352.502 3021864.889 2852325.605 2693605.388 2952069.437 3507133.971 3312931.863 4134646.222 4007579.793 785224.2485 1340917.971 830538.7005 471142.466 543577.8321 3038218.275 3489222.232 3082947.917 1661637.142 1904501.806 2781534.694 3214907.127 2911940.397 1827685.848 2342202.856 succinate_m+0 1962481.256 1799811.726 1592584.834 1296275.313 1357210.251 1887333.881 1716737.221 2203305.383 2476427.047 1751553.098 2124085.374 2844460.804 1665787.207 1723432.706 1689728.285 2495944.405 1950962.412 1614305.236 1840074.936 2340209.022 1424507.222 1763888.2 1869257.271 2143624.224 2302530.156 1171258.369 1356504.932 1690791.32 918086.1148 1009978.806 1297659.614 1448789.213 1237156.311 1391083.365 1146660.778 2310062.608 1575691.411 1892463.749 1560380.068 1295071.439 1247625.784 1449953.042 1583264.709 2090854.538 1950645.104 1339488.313 1098682.486 982385.7591 1238571.647 657057.8645 1687985.374 1244732.728 2058763.584 1474367.379 1935172.565 2729158.217 2696845.704 2379058.052 2087617.138 1530789.675 succinate_m+2 928915.5959 1156480.114 923600.7013 890586.3856 897108.9458 81400.55199 186129.8126 153107.4986 35808.83091 73330.19566 93223.1909 100125.7726 80203.54192 12943.46426 47466.33211 113648.3585 140737.716 87315.34094 82475.47294 61270.05591 888946.4485 1025082.127 919038.0498 1036993.282 903714.8069 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 334054.638 398985.2775 362785.988 686640.8621 647086.0073 0 0 0 0 0 336980.6561 446344.2595 372036.678 0 0 0 0 0 0 0 succinate_m+3 308675.1786 386459.8949 385468.9677 295346.5727 288904.8952 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 112151.3625 142730.7138 146950.7773 129241.0228 106196.9279 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 43538.05967 73528.85513 39621.90209 145610.2468 109588.7893 0 0 0 0 0 73650.22808 59905.54092 35845.70173 0 0 0 0 0 0 0 succinate_m+4 9289291.234 9468699.818 9534995.366 8613026.297 8560283.062 395681.8229 676326.6619 630002.0275 336337.1426 340331.3728 498104.6648 592328.3394 422218.3524 264688.565 304863.3448 543042.3734 484332.5668 412337.6445 354733.8815 355720.6289 2790982.883 2950534.841 2690056.447 2938314.928 2773715.174 167019.6668 330441.3596 188827.8244 131090.7809 241301.5539 169167.1125 219852.3211 242420.091 69614.31024 54340.0333 388225.3024 318903.5147 310759.7773 265195.4012 261275.6082 1771097.374 2005008.563 1759832.304 3387400.856 3119767.942 27458.85428 129721.1929 42179.84837 30522.74607 25410.72321 1755742.141 1977913.729 1683478.052 167504.7823 232335.9441 297662.3008 303758.4307 323602.5413 189685.2097 301377.0186 succinylcarnitine_m+0 434679.6724 388029.3911 453366.9188 437533.1674 423324.5463 196561.4848 132641.9092 262955.3717 187142.9207 222697.416 164214.8627 222908.861 210891.3477 172568.9788 199983.5033 199960.2017 253204.7515 234083.9125 200607.6825 219851.3079 3316775.59 3456824.315 3241122.534 3765552.739 2480847.628 417625.9572 1793242.131 1293413.072 467578.5073 746607.133 505981.2613 1342469.782 1383615.183 393689.3791 373149.3143 2226417.249 1973779.25 1809590.171 2083230.926 977037.6773 1153987.002 1416169.953 1494862.698 2225366.052 2258215.018 178154.9252 255020.3846 253972.6302 241275.3376 114341.3004 1229933.543 1309766.778 1403617.716 583195.1381 494139.4688 368305.4257 321548.3436 513862.9577 442725.3419 282565.5663 succinylcarnitine_m+1 32320.53977 38568.55091 33491.04687 49569.5464 20960.0742 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1658090.185 1703496.106 1548670.915 1730752.493 1151952.013 0 0 0 0 0 0 0 0 0 0 352956.3496 295866.404 275299.8071 350688.9792 110070.3215 275537.579 419360.6736 442001.0127 686354.5063 759885.9808 0 0 0 0 0 318838.8887 378644.4055 409659.6415 0 0 0 0 0 0 0 succinylcarnitine_m+2 264700.9657 337640.9893 308157.668 299417.1205 238917.5526 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3834135.073 3900328.806 3509351.215 3955193.996 2784777.733 0 0 0 0 0 0 0 0 0 0 230679.6749 227344.7603 171493.8851 198185.9274 69226.04922 981883.7843 1372359.783 1305695.224 2090839.592 2215556.797 0 0 0 0 0 1009830.187 1240053.746 1226113.304 0 0 0 0 0 0 0 succinylcarnitine_m+3 77660.56917 69090.89537 157103.5323 96225.99564 36574.86644 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 823803.6442 843162.6522 732795.7527 830981.6453 612281.5902 0 0 0 0 0 0 0 0 0 0 8444.982059 10603.29718 8319.469105 9196.494366 6955.958662 233132.8118 353309.6751 324561.1951 539371.4529 598737.0496 0 0 0 0 0 263444.3759 319235.9541 267456.3966 0 0 0 0 0 0 0 succinylcarnitine_m+4 2309734.957 2539840.488 2548658.617 2168577.418 2263809.191 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10568206.38 10829922.68 10052648.04 10440105.79 8492119.979 0 0 0 0 0 0 0 0 0 0 324502.1877 260741.7707 253095.1937 234899.6879 103910.957 4820213.862 5990346.759 5358905.586 9986138.416 10472787.59 0 0 0 0 0 4953861.288 5272801.875 4973281.016 0 0 0 0 0 0 0 UDP_m+0 9573548.927 10417468.15 13298656.1 11157333.27 10860094.03 17057909.55 19733287.35 20235623.99 27409954.75 19480467.32 24063259.4 19525916.74 21959377.36 21410600.55 20017383.76 21062978.09 23575678.79 23120140.53 17648666.63 19594349.44 19374873.74 19895710.16 20528716.16 18761915.9 15970592.18 19936969.85 34612095.03 31005818.54 20860320.54 25747055.37 12016839.47 17379240.89 18383154.65 15267388.53 12168487.52 37915565.58 36218435.59 37206328.49 47201859.28 30339536.5 18903584.74 21844341.3 27317687.19 17435404.83 17528507.58 22653094 20473634.23 21760396.98 22746343.93 22319570.52 21705324.32 23447945.85 26369408.85 20308242.27 21110884.62 34775168.74 45363868.99 45206651.97 29055724.46 32369203.83 UDP_m+1 1992299.23 2266698.232 2485673.539 2365724.309 2023442.584 2131855.418 2704043.138 2988631.717 3107680.804 2196843.935 2842467.836 2688602.422 2543867.899 2416236.824 2361627.705 2564145.976 2941660.454 2846275.872 1956852.02 2257478.061 8103835.733 7770171.916 8391983.09 7728333.858 6153238.719 2292277.07 5706593.271 4395307.595 2289954.503 3381639.13 1448061.036 2505546.724 2648728.008 1629872.648 1380738.247 5977734.898 5391996.787 5732693.342 7099403.126 4452362.91 3866498.599 5051976.384 5656047.656 5830724.353 6002246.174 2282116.498 2103951.042 2235190.223 2220698.185 2243567.865 4698995.172 5219127.575 5454815.677 2321928.197 2471454.289 4138966.797 5370663.669 5870589.847 3231922.367 3991686.713 UDP_m+2 2654189.591 3745091.748 3701493.596 3550835.966 3090555.432 711526.4844 1204036.338 1474244.599 1112658.661 613232.2989 1242661.074 1441083.121 1059524.168 834285.1694 968856.6457 1086953.988 1427819.812 1192141.68 679126.8563 808913.4581 10431768.56 10184777.99 11083351.92 9735399.851 8805903.573 998504.1918 3576031.933 2542262.454 750492.1313 1841743.456 884166.0207 1589005.439 1644095.662 252903.5438 605750.7759 4002613.346 3426647.251 3755234.942 4497379.218 3205790.768 5532695.799 6550131.181 6955930.881 10226955.58 10097365.01 380171.0577 648823.1415 690401.1694 224891.751 344009.3846 6394055.887 6526022.886 6753551.727 840231.5314 1284509.868 2648621.576 3579372.444 4254279.892 1187512.872 2254929.631 UDP_m+3 12290127.26 16374637.8 16281832.85 15153563.32 13690009.74 1983429.827 3612098.884 4039386.944 2951386.728 1765630.978 3464338.17 4452740.248 2877104.126 2592430.464 3247342.766 3557504.932 3836927.306 3222290.05 1989764.596 2346544.171 32796711.81 31775271.19 35567115.99 29510673.46 28179547.68 3071602.231 8627057.456 6426611.571 1888988.593 5002795.749 2484602.317 3774588.123 3838601.642 717669.611 2024239.833 8500923.755 7010826.397 8527678.304 9047443.198 7290325.152 19360556.46 24077719.23 24928025.93 37403945.81 37711005.51 803924.5658 1829458.416 1316895.518 421566.3384 525900.8123 22807787.38 23332915.33 23584919.66 2034349.392 3953789.075 7099267.004 10010058.88 11232357.38 3019218.206 6509319.574 UDP-GlcNac_m+0 54226147.22 52543564.2 58775369.42 55681107.16 53870599.72 119124754.8 131200015.3 140783440.3 160919862.1 124752461.8 125696525.7 119496642.6 124469202.6 130664042.1 124525558.1 113286516.3 123228098.9 127068859.6 117819559.7 115245244.5 52761225.6 53345345.8 59979849.61 60082779.72 45933013.57 50451639.56 121791775.2 91846108.9 50314828.01 68199268.41 51655818.52 99180898.87 92951083.03 46701234.59 40500804.22 156944033.5 160619085.7 161720608.6 176616559.7 117836798.7 40992505 47898844.87 57792958.37 32111066.29 28173368.26 57559518.73 44829824.2 55716444.05 63349918.38 61288865.79 41664779.5 49423948.9 52410150.31 47501881.06 50235933.77 55239468.09 66074141.67 68060804.53 51479030.01 53057605.41 UDP-GlcNac_m+1 16120929.27 17298543.03 17870501.58 17402550.97 16306012.53 25616358.9 31692637.07 34242059.77 32444810.78 26220294.35 27775402.66 27431845.54 27084020.09 26200264.76 25816892.42 24947197.34 27073545.36 28107987.93 24074503.76 23922056.15 26774859.89 27453963.61 30165840.33 29977100.98 22899381.26 10262109.06 31501259.29 21436480.01 10216832.22 15406410.89 11124134.69 24486231.63 22614829.58 9302834.069 8042322.573 39068803.72 38730319.54 38768695.43 43587880.52 28166331.93 11355546.95 14301340.67 15908443.47 14135360.9 12668018.36 11026819.92 8513215.551 10685841.65 12286934.83 11699853.5 11593957.68 13887228.81 14010048.46 9619218.908 10136276.91 11407133.42 13822592.37 14582567.76 10412368.66 10761942.08 UDP-GlcNac_m+2 38908076.11 39852995.94 43099031.77 40084239.98 38075853.09 14753688.67 21124778.9 22723057.33 16018794.04 14324736.61 17119112.35 17495161.6 17333104.15 13621058.93 13566200.75 16331548.74 18142906.08 18235866.07 14420705.31 14394423.58 43594845.02 45331692.74 48201076.26 47439243.76 39813525.19 5903267.282 23262319.51 16416372.5 4501559.023 11110899.23 8786835.425 19128122.51 16973301.61 3279163.753 3298643.135 31522838.26 30577593.9 30537843.82 33812277.89 23948820.4 16545502.33 19709526.95 21248428.71 29552157.33 26612264.26 3516518.29 3238275.628 3637381.869 3711579.361 3502354.829 16816219.17 18810923.55 18297748.97 4928127.11 6244492.965 10096414.91 12159739.74 12620433.53 5521738.283 6351861.51 UDP-GlcNac_m+3 72709072.07 84058190.89 85575687.84 82281804.42 75578423.61 13825304.13 27067508.27 28955716.49 6599384.44 9909223.749 18168811.79 20864047.91 18715910.95 6637411.664 8924969.156 17687860.67 19674515.19 19680994.98 11087437.33 12288459.05 95544791.31 99299814.06 106818476.8 103648726.7 89606821.42 7368445.995 28086494.95 20131306.45 4231690.482 15032460.34 10628309.47 22081966.95 20601205.25 2031891.871 2544950.177 36007262.27 33778602.61 33564071.7 37506612.97 27729135.67 36671156.74 43847303.16 44416660.45 71405495.81 65431469.37 1403457.712 2130122.397 1535738.518 1020510.046 814662.8936 37294271.81 40962670.98 37845783.5 4685038.066 6201457.289 11734006.76 15224473.73 15347470.81 4948493.412 6492411.952 UDP-GlcNac_m+4 18445817.45 20873219.77 21666277.88 20197095.76 18947588.47 2422215.155 4758633.233 5252475.048 1132439.199 1656879.97 3158142.611 3546165.268 3316729.873 1095185.574 1510629.002 3218154.643 3582238.656 3489002.79 1973345.874 2180628.343 22737345.26 23638971.6 25606147.19 24423940.59 21395917.63 1262761.682 5100323.754 3614066.559 684848.3546 2730241.906 1978362.75 4135263.76 3792976.423 335725.3593 449922.8764 6775717.417 6198840.394 6012528.226 6835787.437 5217807.565 8431898.864 10010308.35 10084254.95 17526694.51 16316100.65 184008.0781 339973.8064 254179.3526 119604.4365 72648.96648 8444009.172 9014381.216 8495868.039 796131.3032 1082035.709 2200483.304 2826118.195 2774495.288 879253.7223 1148979.721 UDP-GlcNac_m+5 28772916.75 32243451.47 34150917.46 31015598.67 28548769.99 1084739.967 2422009.335 2491933.706 418325.8082 763580.641 1539236.338 1739233.455 1538065.045 387314.2485 663226.7969 1631303.909 1785227.71 1624433.741 924535.017 935427.4131 23954059.64 24745728.45 27086019.73 24810481.09 23469772.27 611582.7269 2293112.119 1833040.466 281152.4859 1367221.984 1100715.004 2014179.824 1834029.274 83082.70229 147010.6608 3278127.389 3056590.508 3062230.209 3425277.307 2798204.141 9763275.38 10820008.14 10672692.76 22381666.26 19871475.26 0 0 0 0 0 9939077.464 9970336.339 9166075.051 327596.106 567463.3927 1347215.132 1626970.014 1548271.099 376704.5842 552046.5485 UDP-GlcNac_m+6 3857781.679 4390050.667 4687884.69 4283332.597 4070804.026 80737.10056 281366.1948 329177.8366 43063.1464 75308.46263 192728.2729 212823.9176 207393.5246 11471.97296 65781.59232 166143.6723 208930.4053 196475.0086 91682.51488 129806.5495 3210788.368 3500362.324 3778305.646 3539960.616 3313736.995 60719.56477 318903.5875 262937.9515 0 156889.8017 127722.7983 262865.7562 224452.0759 0 0 458377.2227 451975.1332 381308.2752 470591.1252 429935.3138 1362206.781 1451969.898 1390080.975 3044825.629 2657623.691 0 0 0 0 0 1467986.61 1480519.006 1264091.423 13005.63062 38272.38021 162271.3284 234966.0821 198019.4369 0 42990.02008 UDP-GlcNac_m+7 1035364.546 1143702.884 1348468.337 1235628.728 1030470.736 42429.74451 48159.22096 52046.47302 17985.98516 0 53852.55722 37186.69109 30836.79267 16242.32486 12026.25385 13674.77268 33980.54264 70674.9646 57519.57946 46300.26062 886902.975 1034664.42 1064145.421 961692.5119 892818.7368 0 0 0 0 0 0 0 0 0 0 72527.37345 106205.7788 72543.15128 73887.30745 53743.70576 377123.4534 422730.8854 473154.0405 843624.7533 812166.0875 0 0 0 0 0 352887.2492 382888.6081 334997.188 0 0 0 0 0 0 0 UDP-glucose_m+0 62519569.48 62977897.44 66014139.86 66224767.69 63559659.79 99724774.97 108390954 108933125.6 130770242.8 106498630.9 102489656.9 96524210.37 101083216 101597235 101174837.1 88140032.72 96152256.98 95738183.38 91462734.32 91389073.36 84492346.07 87092001.96 89539624.45 88909119.62 82210816.64 95817952.6 157578615.8 131668943.1 95227713.2 115539626.8 93839456.59 134370890.7 129894225 94400051.49 88651208.67 185973118.3 172578297.3 180399718.4 191106056.3 157104333.5 81610609.38 95059785.68 99802709.6 66535509.47 64080391.53 87110933.36 83311367.47 86817382.39 89491432.22 85843142.9 84777085.85 98850104.56 98980555.44 93267317.81 99530175.74 96402796.71 116151345.2 114460153.5 90294598.42 100056626.2 UDP-glucose_m+1 17312697.03 18045457.86 18026783.39 18828528.89 17336569.52 19304968.52 23862217.54 23775394.57 23048390.44 19798466.76 20147096.26 19692727.06 20379433.73 18190013.1 18217997.23 16898510.91 18740230.4 18808378.73 16880280.37 16725149.7 41256188.65 42463100.35 42248972.91 43167566.63 38306563.11 17918671.65 37153478.17 27909859.88 17126471.69 23933625.33 18423756.69 30572453.55 29290829.9 16459639.28 15881518.16 42558168.02 38370163.66 39520802.9 42473921.01 34030757.94 22741858.7 27957446.49 27113945.44 26966036.95 26421472.05 14990449 14559300.07 14884199.09 14974178.32 14699866.65 22885086.57 27812326.05 26880085.06 17044223.87 18119590.71 18294179.17 22428168.56 22117387.4 16167196.37 18141691.71 UDP-glucose_m+2 20626876.95 24661325.05 23168472.63 23911776.58 21890878.89 7165640.889 11282980.01 11260134.77 6603718.565 6555386.837 8197838.704 9024219.006 8234550.534 5245425.941 5723398.234 7348163.819 8234998.997 7845100.946 5649004.981 6175634.477 50316059.42 53276194.46 53399639.71 52140754.33 50893849.88 7314893.352 20507444.35 15453608.15 6025833.258 12232257.07 9818967.176 17339391.6 16643208.58 4754721.998 5227975.983 25529642.97 22268913.55 22958801.15 24569175.17 20490712.59 26037513.78 31281168.58 28701171.84 42766744.63 41743989.13 4107703.107 4117765.255 4105874.313 3996794.554 3708943.748 26542499.77 29943438.84 27697353.6 6430634.488 7682606.291 10003223.99 12757841.45 12827679.04 5916313.386 7344421.456 UDP-glucose_m+3 81917336.67 98078043.42 91879855.05 94523969.91 85939560.58 10936962.62 21907265.23 21942109.51 4201033.935 7713295.121 14360115.28 16641115.77 14910324.5 4356903.532 6357298.257 12994055.88 15101770.98 14218331.88 8007737.07 9289037.921 145727963.7 151850376.3 155982411.9 148319493.5 153234621.5 13678475.58 34816795.7 29283252.57 7751325.443 24391703.88 19149303.58 29340743.98 28225204.57 3875186.67 5337509.456 40465284.59 34393987.6 36115897.54 38565629.3 35764962.92 84218375.29 98623537.02 89334640.83 145349663.6 145571134.2 2088284.644 3954417.065 2491558.492 1249764.987 1030571.406 85421338.64 93895351.67 84397103.29 9044241.587 12267986.73 19757249.35 25832891.43 24544179.51 8143333.104 11792708.39 UDP-glucose_m+4 11199145.74 13740600.76 12910428.95 13329962.36 12189143.98 1373152.486 2939233.854 2891743.753 502731.4159 966275.2003 1939750.027 2214974.839 1924183.817 584201.7484 819009.3406 1739345.75 2107483.316 1908046.346 968518.5899 1166152.065 21309013.11 21987219.09 22299402.7 20951598.91 21891995.48 1771642.961 4714195.792 3978375.973 925696.9297 3310649.828 2598958.858 3847657.623 4054159.298 526710.7387 744201.2624 5588177.197 4729166.238 4898681.449 5278764.985 4861306.639 11813848.91 14109429.67 12390930.42 20323255.78 20407063.5 251482.6254 494514.7797 291968.752 128292.5361 90618.85189 12105528.14 13255635.83 11763635.15 1157067.041 1719974.163 2598844.048 3551326.384 3390418.942 1052880.352 1682580.482 UDP-glucose_m+5 3216834.771 3735661.599 3803139.173 3889917.717 3461892.919 370511.8125 819698.0469 829926.9942 141684.2653 249243.3157 499634.1292 615834.421 549510.7681 146519.3315 185316.2498 507011.6571 596388.7679 503817.7462 298686.6725 279978.9413 5740847.41 5832412.02 6338567.696 5954221.002 6130134.152 497466.074 1401915.468 1071660.719 301172.8312 903774.0982 760902.5572 1162197.483 1107907.562 106117.0156 130059.7223 1475097.828 1247584.831 1330083.173 1436562.778 1360040.05 3315606.745 3876166.685 3505205.702 5759992.549 5777568.274 0 0 0 0 0 3346607.668 3841356.437 3378142.521 276210.66 422800.8825 657240.1424 932406.8 769651.7622 290546.7576 415211.2802 UDP-glucuronate_m+0 2664474.245 2936847.546 3913547.973 3046978.857 3345087.788 4883581.174 7245558.138 8686002.242 6431717.73 4646630.842 8356797.854 7802464.824 8743053.491 5380902.727 5252986.034 7575228.239 9619575.785 10048314.03 4989228.225 6323759.107 7518729.722 7862394.966 9376555.174 8208233.451 6107979.489 12207250.49 23569747.21 21357298.04 14588839.09 16899111.88 5506157.146 7583720.099 8374322.54 5307123.366 3920247.047 26281707.4 28215531.01 31051942.72 36605134.08 20724717.3 13258458.19 18890697.35 27634468.53 11575164.75 10371662.52 12347841.28 17075665.33 12183692.43 8965273.493 9222599.678 17545972.69 19113721.02 22537682.43 23812162.11 22564748.93 34804648.07 53083118.5 42059061.05 26312861.08 37572023.77 UDP-glucuronate_m+1 688018.7461 737485.594 1064018.872 844131.83 847158.088 975261.406 1494830.65 1813964.771 1046202.135 833879.0736 1605042.249 1541571.879 1672327.02 921352.6197 948933.1622 1401803.736 1853843.363 1938780.905 914039.5812 1122340.958 3603178.741 3658836.231 4337217.07 3795028.576 2778157.485 2172107.475 5328161.283 4335599.779 2579566.202 3277555.235 1104936.272 1731132.865 1768085.058 911557.8804 664362.5301 5842243.664 6045946.269 6846671.676 8062972.645 4320007.441 3285705.568 4777678.509 6819836.997 4375995.2 4166319.09 2072777.485 2787992.497 2135856.144 1560938.426 1566249.401 4248878.386 4669890.492 5254322.069 4253040.999 4232680.429 6536496.747 9826517.954 7904350.316 4538809.039 6977345.718 UDP-glucuronate_m+2 786610.9172 1134723.176 1250489.35 1038020.264 1020604.542 355644.2491 698466.707 859863.0153 324406.6733 269478.6886 632944.8745 677557.9391 680393.4779 283915.1263 287802.7017 633747.0021 813300.3633 813356.3076 322374.3467 364576.0392 4386826.715 4770535.565 5328232.151 4546645.585 3603417.732 934013.2069 2961472.384 2333656.39 922439.724 1635796.516 556041.7822 937706.3236 976702.3569 269134.5093 162920.4722 3500550.602 3193142.497 3921809.511 4602337.898 2604975.572 3365873.656 4736141.81 6193264.709 6915924.55 6634598.25 538721.4527 871017.1437 616326.9337 370283.8854 409322.5185 4392319.927 4556916.109 4802740.76 1556747.801 1661649.304 3221491.703 5079705.324 4274925.628 1923134.414 2727099.861 UDP-glucuronate_m+3 3279957.277 4266863.694 5113066.032 4145492.621 4271667.81 442168.5439 1344162.933 1592977.344 201469.1164 336605.0008 1050642.12 1231166.462 1162516.094 217793.2484 291677.814 992409.8722 1394100.398 1453547.455 393821.0911 558972.6475 13112316.81 13768085.23 15911725.01 13504163.28 11096092.08 1624582.897 5077792.306 4298628.778 1155209.341 3335970.234 1014508.217 1605792.91 1722823.517 202173.7063 236160.8743 5781421.108 5386626.011 6002847.501 7508495.457 4745784.866 10705714.91 14918134.93 19776374.7 23532941.97 22664463.16 308603.1413 910501.387 384516.6012 121553.8242 80852.43289 13803434.75 14282957.79 14762612.92 2155629.393 2577064.717 6305039.147 10655525.62 8396296.494 2406355.88 4274604.941 UDP-glucuronate_m+4 447089.4335 574917.4924 690830.9441 595087.6777 554070.6716 14370.62184 181744.3443 179977.7448 0 10897.61646 108143.0362 128423.9885 144367.1424 0 7703.154952 64183.56967 172634.9223 169915.9267 23913.77237 21675.24156 1760959.186 2025481.969 2312850.988 1901731.111 1582941.132 180206.3917 648366.073 601574.1646 120316.1313 449120.2974 116805.9933 199448.2416 203200.8216 10427.91844 0 808083.2421 756523.375 849238.393 1005442.523 647316.9619 1424936.24 2095913.743 2757104.167 3381215.635 3226221.941 0 0 0 0 0 1940115.828 2030883.399 2086427.056 258583.0766 306609.927 896522.121 1401413.469 1133422.828 320547.115 581505.9529 UTP_m+0 13826446.05 15784726.79 20637077 18619974.05 17280602.63 20714152.4 26856318.97 28884379 36087490.92 21661490.22 33596549.6 25168593.59 29963586.88 28722235.88 25711928.46 27538459.38 33600598.1 33734844.33 23534665.71 26113810.32 28422666.68 28891142.09 33059103.33 27362416.45 24269271.79 25090152.83 49774344.43 44650126.72 25303427.51 36398640.85 15101228.48 20735838.8 23456053.47 14574952.11 11347539.7 59138225.48 59222533.82 61980956.73 67679624.14 47281446.32 29140158.73 35139236.01 50103704.51 31936537.71 30546729.91 28392271.78 26074085.29 28336946.64 24915296.29 24395220.75 36632485.57 37125342.88 39383379.42 28645902.87 33728620.6 53553400.98 83999545.51 72192228.51 39587144.6 53964962.87 UTP_m+1 2383902.473 3192628.152 3803319.54 3638572.406 3145977.295 2213591.03 3682311.281 3892274.038 3720023.274 2165656.63 3634709.71 3084345.222 3444333.988 2793822.393 2647119.831 3125540.642 3862007.478 3698953.18 2327532.545 2612450.043 11116488.2 11235306.01 13013169.25 10702935.72 9211951.832 2435135.591 8055816.106 5755765.01 2467205.478 4344511.413 1556510.483 2797738.822 3015071.357 1185014.984 978354.7097 8947597.689 8437339.695 9049149.885 9605124.792 6566315.113 6046855.092 7834018.089 10439695.41 10569070.4 10010828.74 2555817.904 2482314.581 2568562.507 2109267.669 2101774.518 7489593.954 8248804.428 8066035.068 2669484.182 3729834.583 6083961.102 9709642.663 9236906.032 3898726.847 5964407.379 UTP_m+2 3740784.963 5330616.068 6052050.298 5667279.916 4956434.565 810178.2413 1870281.124 2119522.282 1373748.613 751042.8015 1845053.217 1714709.753 1555328.118 1081407.276 1153855.233 1573930.778 1966245.507 1701802.591 853720.2568 1144881.431 14855189.36 15228044.97 17557363.42 13937847.27 13286816.65 1119427.872 5339579.645 3849230.025 885723.8096 2790725.299 898531.3263 1772638.346 1957954.619 179108.9648 376356.2929 6414988.297 5761216.08 6366519.099 6709117.705 4981818.95 8734088.921 11068481.1 13527658.66 18676750.4 17354022.91 583429.6575 858575.307 842970.6275 414628.6353 390938.383 11118711.37 10819767.68 10613764.14 1211041.371 2172769.566 4159611.83 7451913.561 7018798.53 1681800.265 3531490.155 UTP_m+3 18347222.49 25010305.62 26780879.46 25674065.61 22155865.16 2199988.413 4760213.853 5813285.412 3391824.043 1539521.185 4623904.805 5475308.445 3901222.74 2762197.043 3491858.849 4339450.711 5096025.55 4524828.186 2117410.422 2858795.215 48277908.49 48166117.3 57845297.15 43847154.4 44438213.07 3454859.086 12361480.25 8873577.77 2008834.849 7390481.632 2901980.141 4117320.476 4703342.217 296197.7691 1749011.578 13175048.02 11053672.75 13634444.55 12837558.9 11130521.09 32916967.18 40319963.68 48726995.35 70345335.58 66634966.66 546916.075 1788606.37 1303083.986 173040.0186 245497.1974 40752880.27 39771748.11 37773628.43 2472066.774 5891847.216 11038018.64 18746142.08 17449775.1 3705026.705 9690321.117 1-Methylnicotinamide 1594478944 1749367791 1778798642 1547075266 1555708629 1117406508 1522359580 1520517017 895522136.5 985177422.5 1426206405 1532756935 1396660046 840994977.9 923001537.4 1353081038 1463610156 1307297630 1021082205 1056729611 1363017985 1432601276 1358692043 1398570195 1206886320 972829215.2 1279608192 1146015078 948027176.4 1014495671 831377846.5 1079228180 980511497.7 611698304.4 647611614.7 1519886171 1456952836 1479290775 1718923405 1271059262 1251026175 1418494447 1408843219 1367351651 1344840945 610205469.1 868367839.2 685451161.4 456580907.2 448330113.3 1222562026 1378602945 1413596024 993823070.5 1033904041 1227808778 1372131467 1328261169 996624947.6 1179482334 2/3-phosphoglycerate 28627082.89 33014262.04 37140930.82 29393049.23 26321619.67 18969350.56 25601964.81 26346189.91 16468800.12 15545767.16 29676780.5 28467168.83 26713727.17 17485894.29 19787686.33 21756690.13 24287604.72 22624628.88 17259139.64 19792991.03 49150525.2 49943578.26 54349194.72 46337648 47383673.38 29337775.71 50406302.01 46160144.51 20068522.64 35105824.43 20869254.49 28961956.22 26756035.18 9387564.192 11011087.45 52680911.88 51075666.69 52236821.65 57344634.11 45313877.19 50028017.54 55249009.42 62361555.04 69288250.25 62530261.92 21365518.37 30241231.03 23814857.1 16809619.48 15440554.36 51976498.92 54767391.99 58845082.54 29539775.25 34850630.85 56674273.26 71028185.46 62073014.93 39051077.7 49875009.76 4-hydroxyphenyllactate 984298.0794 928141.9812 810523.0131 850635.2204 790168.0367 4029152.435 4625856.015 4778597.538 3596745.626 3792546.663 5310657.994 5334079.467 4972673.153 3996959.704 4081881.198 5468542.327 5744539.964 5553242.251 5098057.632 4642900.486 1023909.034 1112232.412 999705.0239 1080586.045 951882.1202 1591137.25 1901843.156 2238786.674 1423888.756 1869874.101 1564080.742 1875813.164 1875785.718 1070567.669 1055674.415 2679052.049 2649374.524 2610812.19 2838165.069 2390696.917 1086148.958 1285586.455 1463977.359 829725.5566 840634.4735 843036.6741 1016865.448 853065.4419 639125.4092 590956.1191 1094397.852 1270539.755 1473518.596 1252179.032 1421827.881 2301318.865 2427839.592 2321011.771 1439908.913 1579937.833 4-hydroxyproline 63641689.92 69893649.9 64358044.4 64784127.25 60464777.72 71216423.11 71006041.53 82700378.31 64204075.88 69539747.53 74556957.79 68915431.67 73870601.02 65795855.54 66813372.31 75139598.21 72068341.95 75406043.45 70114184.66 63221775.74 26523224.86 25704181.46 25197496.87 29697004.86 24179767.41 29061735.07 22827386.47 25579648.28 32059882.06 23648448.42 22297926.22 22911263.79 23884137.07 31201228.95 30187584.42 26708010.82 24842240.27 24108714.87 27757660.03 21787540.7 19366015.63 20308731.81 20653331.57 20185855.53 19571060 33595867.67 32747897.49 32242406.96 25166074 29100606.74 18789707.8 18036412.36 20700282.69 27250321.56 28429029.32 24062243.62 23215055.71 21711199.07 29247462.66 25706650.5 adenosine 16704042.28 22941879.65 23465407.66 12887028.83 12422585.83 11128735.46 15941506.82 15886942.03 9690333.494 9954904.447 15853446.79 15665419.07 17750800.42 11530317.21 14708787.65 19201640.72 26348263.46 23679047.26 15339785.57 17125497.8 10630330.26 11439212.91 14470281.11 15395684.11 6303824.96 19016103.46 22905250.6 23056174.29 15391149.59 15532308.11 14226256.03 15342483.97 16568712.8 16055082.22 10478967.89 19847374.75 13412782.86 13734077.83 15810157.31 9740378.384 10403555.86 14220855.19 11756622.29 8941325.912 8855643.641 15846536.22 23050749.74 15093602 11463218.54 16867249.58 10529520.17 14889956.55 12286138.97 11844893.21 9902333.722 13363414.93 13641639.82 16706122.56 9364628.066 10159045.38 ADP 46425001.68 50386039.92 55426237.85 48666253.16 46597152.48 45757223.5 59643998.83 61981376.2 37558321.06 41312990.54 55333890.34 55730716.06 53501573.14 33117694.44 37251926.81 52490573.54 54611893.84 51356427.24 38020604.18 41013996.44 44857941.09 47551015.23 47978838.65 43182066.77 40454023.66 41130076.59 54396474.76 49819387.85 39737297.07 43978236.07 26377630.99 32558044.61 33746908.18 22956028.34 22704056.07 55030319.98 53383241.72 56602739.96 60075079.44 48790494.21 44021745.91 51400224.7 54841557.42 49568091.82 46810200.96 24769926.74 35442865.37 27976742.94 19066438.5 19800640.62 51137514.65 51488846.92 54751367.94 47691158.71 45926011.02 53921159.91 61332710.36 60481364.95 49122636.35 58415980.75 ADP-ribose 2721176.824 2990750.013 2560409.546 2728155.741 2174260.302 2444169.22 2381584.432 2491943.979 1946917.897 2436894.606 2466067.437 2934596.348 2388440.125 1997363.286 2074058.75 2769932.988 2380548.995 2298490.438 1967609.851 2219455.758 2730615.258 2667370.538 2709262.499 2673476.213 2137684.985 2031868.062 1907613.565 1707006.6 1754134.047 1861576.114 1302922.743 1648641.923 1522002.249 1415285.242 1575244.673 1711166.682 1872378.824 1893956.125 2194463.321 1723589.179 2223994.761 2595968.402 2548476.662 2400301.452 2430168.177 1514802.52 2102848.732 1686218.513 1338052.264 1424572.848 2291486.554 2307834.157 2487761.536 2027578.843 2206461.91 2112086.046 2445526.539 2340268.519 1932289.009 2438986.69 AICA ribonucleotide 2117760.743 2721780.355 2600628.448 2661897.95 2190697.085 354277.0132 257083.391 246296.5472 767589.3969 539644.4951 374622.3453 324848.2151 269253.8326 920406.924 830565.4196 249416.8644 275301.1182 246377.5947 580853.127 523377.2329 20270787.74 19747061.59 25661326.3 22914187.33 23485099.69 10261764.85 17692757.37 17577365.05 2104329.689 18258359.63 11351659.2 11024541.29 14230159.22 832833.56 1318191.172 14524301.25 10923449.56 11312774.81 14444616.46 13934157.84 33557653.6 38485450.09 37649506.83 47970284.09 46617761.79 785708.2651 530500.225 647159.9222 315603.1077 498400.0667 33399935.88 36750065.68 35421387.58 1957524.406 6223602.24 15048206.1 17588830.08 15790680.47 1347108.369 2363101.551 allantoin 4084652.869 3883175.348 3659201.345 3014523.363 2886344.376 4161109.852 4010703.384 5022675.714 4828227.018 3018216.306 5050785.568 6169472.973 5527671.078 5103980.717 4419765.711 4494918.664 4167456.067 3915772.852 5481456.384 3594125.643 4950478.517 4805153.33 4232332.101 4547147.794 3220232.54 4464013.218 4174553.302 4609634.946 3945921.108 4127199.503 2388311.443 2681150.219 2262640.853 1924849.23 1970615.936 6713923.845 5306099.005 5252619.339 6079286.069 4502982.94 4367586.617 3423228.598 4129414.716 5542002.146 6338577.516 4728521.354 4992809.006 3826815.438 3677012.468 2186451.934 4810612.386 3482344.649 3958514.767 3285912.912 3985039.786 4111678.395 4725659.048 4075725.932 4590259.679 4166855.268 aminoimidazole ribotide 28229.69722 54093.00234 89854.86479 175444.3779 88992.47557 3009968.424 727373.445 553436.5524 6475379.683 4480453.137 3087998.068 1351798.38 2259452.091 9680571.551 7826086.68 2058055.544 1941580.856 2427077.794 6919716.683 5568496.744 328866.6309 290026.2421 261715.8209 256525.3237 188675.2319 3482304.722 560806.7556 210308.714 775793.1741 1332457.594 361564.2482 233380.2925 216072.9186 352790.9987 298556.3688 165181.3214 82693.12746 126034.0996 147998.7689 218052.4593 2111247.646 1010541.745 1064830.813 611830.8106 593993.7604 748868.0868 403606.3067 442907.206 206054.3477 214213.3258 2147410.585 1016484.712 939283.072 1238612.519 3946525.595 2203171.166 1962050.469 969798.8185 1585162.868 2212884.792 AMP 17377918.86 17992181.93 17433958.12 15929315.17 16412720.07 16857517.08 18941090.38 19596252.88 13826675.24 15548122.56 18259630.83 19110193.59 17919711.89 12944169.65 14207103.16 19260918.63 18089084.42 18098692.11 14304209.87 15009216.6 15715349.05 15512400.14 15742821.49 15445654.03 14065222.19 16623612.62 17585241.91 17329677.96 14836884.97 15859741.32 10692209.8 12759280.19 12356506.42 10629504.22 10347546.19 17926187.15 17382735.4 18320698.33 19239530.43 16094461.35 14721965.99 16677031.12 17577309.06 16400851.84 15335252.31 11346065.22 15085788.79 12144253.7 9140746.076 9362580.518 16083142.96 16631211.45 17659187.92 16706718.7 16655334.41 17955883.12 19562668.79 19531519.22 17882778.95 18306575.95 arginine 133555575.4 109488113.6 116195394.3 124599527.5 107375574.4 221821053.5 189361003.3 218899161 255040730.3 179094615 249174169.8 249744755 237391144.4 228200889.9 209607146.6 294064231.3 264548758.4 243575944.3 243380642.5 181733196.5 181983700.4 167960791.6 182868422.2 181489745.4 168460177.5 214239453.9 176172794.1 213692206.9 221981751.7 177810904.3 176290566.4 176054444.1 179513120.9 220807601.5 211371104.1 321133192 312271847 313062015.1 329006663.5 239116062.1 200400210.4 183277463.5 199562882 204432261.7 183646095 261174986.2 254742908.3 229862254.6 183708623.7 164823302.4 197702162.1 183902878.6 192130312.7 244851735.3 276039798.7 342023889.2 348619426.7 305817680 299040043 294085534 ATP 152926777.6 168832051 210605682.2 184361500.7 176817593 131618342 209935546.8 235817518.1 126492637.9 113542917.7 231022200.2 203009187.2 210719437.1 110523276.4 123007630.1 198984260 243647417.1 232889379.1 123007459.9 145851174.1 164414938.2 168966690 188029236.4 156040088.2 140614282.2 121097704.9 209191760.3 183369321.8 127242294.9 162488976.6 63127907.94 83800255.98 93762575.69 46572184.96 44875724.92 210845720.9 215011304.7 229972648.7 245004037 184416517.3 140415995.1 175896810.7 223465855.3 179864179.4 177537647.1 77891873.33 112673334.5 86381379.91 50222145.05 50441503.96 176059223.1 177449153.1 186928645.9 158640525.1 164314456.9 227024093.6 322801644 282748989.9 200351790.9 274239659.7 beta-alanine 82407540.08 81845389.41 78615081.98 83299181.92 80257390.47 94214340 100625783.1 100998688.8 80428641.7 88754940.04 93661588.62 96352387.69 94602628.84 75407699.09 80764289.24 93437215.73 93723314.47 97215036.21 90025672.93 89910884.31 53476664.93 53125784.74 52591391.96 59970123.08 52112760.75 68893505.94 56358475.11 68030421.71 68070264.84 63579936.4 53157161.16 60864529.54 58439265.25 55120457.64 57062059.76 74458198.29 70531574.9 71184681.16 66897484.45 73420535.38 56650100.68 56394500.68 56384774.21 55590259.04 52700198.66 59297352.46 73834887.44 62957615.71 41387574.43 43535900.31 56169177.15 56485346.05 57416532.84 74581850.08 69470163.48 72028136.46 68892708.17 69793929.2 77732935.96 76016941.19 Betaine 999732791 968119293.9 1010747563 973654421.3 882850893.7 1621727665 1800459929 1996502862 1431764227 1414683677 1803980900 1909592045 1869281868 1316636776 1359372827 1753596775 1712588295 1764289026 1439686593 1326580994 1076882048 1078171108 1071511251 1217719233 951056344.8 923841037.2 944324413.1 1010244046 836931717.2 875718865.1 629566115.1 825072791.8 765369844.2 608447272.2 633113438.4 1146145725 1091063595 1085101280 1155255833 921422189.6 699086023.7 670194812.2 805592476.6 850909007.1 750362630 655045501.9 726019933.4 654058936.2 466092081.6 395830799.9 710292584.5 646125729.4 784091523.8 765022561.7 867451967 1007114849 955266927.6 916136951.8 822219975.3 781141502.6 C5-carnitine 5883109.453 5699351.405 5772892.009 5210211.236 4930098.627 102978049.7 165788778.8 181402455.9 66857148.17 83276536.45 121488484.7 136120155.5 129914236.9 60306399.63 69650857.95 105016258.6 109639788.1 112375641.9 72846278.19 77257565.15 95664557.7 102238289.7 97218932 112208625.7 67361874.23 257141461 1059178170 647393566.1 225997968.6 482675682.4 321433676.5 765426499.5 693131789.8 85077160.51 117615104.1 1013713484 922346238.6 919339095.9 1056910820 688776792 229109765 281358153.5 398548770.6 47363437.23 41802932.32 95456542.99 113783425.9 103188771.4 73275238.9 46703394.29 228664615.2 297524952.7 416641649.7 420109086.8 397210210.5 492034596.8 516422291.3 641236610.1 344797186.7 360681008.1 cAMP 560175.7265 620654.8089 613541.0861 628319.8853 596464.2129 582390.9578 706319.0126 721687.2309 554009.5668 608179.1771 560771.0493 701392.4286 539802.6541 424657.3749 508042.8347 514008.3554 618941.6537 472638.0565 468848.0305 351314.8907 735298.2238 726250.7338 754059.3257 850558.5365 766608.7894 517760.5171 679650.4943 593937.3254 470005.6288 613761.2304 421413.506 564855.0514 446224.9184 295087.4267 337233.4757 756156.5063 653511.6239 642478.9115 750550.6443 646685.2926 546170.8772 654843.5774 620479.1159 690042.8633 723829.1634 285385.0612 357167.7608 271454.8498 185048.1121 157451.3671 570653.5663 597232.9246 604463.9986 476314.0033 511902.2791 514178.8151 551805.2053 485134.3488 367192.0613 489593.3601 Carnosine 7310984.669 5473557.828 5155059.32 5696734.339 5109900.498 9362087.43 4928636.739 6218068.362 10453483.47 7340706.193 8129425.602 9000685.789 7120050.004 9186063.019 7953058.707 13056442.25 8729579.461 7392297.705 9619586.016 5591679.604 8050710.968 6448544.717 6037932.528 8175936.368 7677610.689 6563170.103 4684691.846 6387927.692 5391130.764 5050469.864 6000986.296 5139894.049 4178871.601 7516677.109 7042079.985 7227612.256 6003279.332 6254196.007 5699249.547 4839403.557 8146415.37 6090265.484 6452476.584 11720363.99 10874253.69 11786371.66 8843564.59 8518873.247 8185765.273 5160556.202 7778916.987 5562243.324 6458990.088 8544206.613 11827072.41 15818809.59 14235264.67 12611864.98 11824583.49 9471344.149 Choline 115635342.6 131493779.6 133835710.3 98746436.07 88571538.49 32698081.45 40275429.47 39604379.52 32597634.28 28956577.01 44536593.04 47732896.53 48350856.72 32307403.31 36920236.53 53008191.49 59514911.68 50701174.58 39299557.81 35226110 50879963.56 53246661.85 52173469.3 57584238.86 45948692.69 29337658.95 31213985.33 29950430.64 24620842.42 27552069.91 21396622.43 23644994.49 21231484.74 21679344.16 18567712.84 31170591.02 26354679.94 25948960.52 32473859.59 21772262.78 82446793.65 104806528.9 91329875.93 128343476.9 104467248 36844212.06 48444864.98 32922632.96 23408417.1 23838264.73 79652962.16 98665732.77 88800529.14 32758582.51 31941120.71 59809727.76 56935249.74 54871256.95 35908034.33 38923046.14 citrulline 92867169.83 87182465.49 96495007.18 96764780.88 85072371.28 94056773.35 91367939.22 103289117.8 109072126.5 90663857.61 105011302.7 98256762.48 110504554.8 108824128.8 104536697 98488738.74 105358986.8 112695383.5 104988509 91564786.21 136884755.7 131780483.8 145023674.7 146075649.9 128820489.4 118474351 83710920.93 94116641.66 144828981.4 102170457.6 85653316.47 71842344.54 80317555.33 157089609.8 139949345.3 83710003.09 82018072.89 89526289.69 90785747.88 83248705.76 124709431.2 113712954.8 125065692.1 142681552.7 133964394.1 207406387.2 203210111.9 197663591.4 164714101.7 166540602.1 126885602.5 112309143.9 122648303.8 159717046.8 161409772.1 131064083 121719773.1 121389027.9 172760622.7 163875020.6 CMP 1844949.672 1823989.619 2083680.446 2095285.846 2001790.859 1132942.194 1609450.373 1490361.511 1229845.541 1176225.356 1385888.196 1251633.804 1276836.566 947427.077 1192238.373 1231203.485 1349939.606 1169915.251 829718.3016 971033.1736 3493624.186 3627597.355 3387091.031 3604002.825 2779623.78 1559642.806 2183645.401 1586210.034 1121649.553 1802377.549 695457.056 1382918.854 1231980.368 585097.2191 634851.5378 2440527.727 2462689.241 2270621.936 2288518.591 2055739.81 2509428.788 2849792.503 2987458.516 3022215.004 2864959.214 571231.8757 899477.9136 647752.3914 580860.3769 507303.7635 2607331.453 2844776.374 2548331.796 971448.7946 1208399.97 1468126.959 2127549.56 1855804.89 1178570.85 1402263.616 Creatine 7617118593 7610465082 8698052164 8391133312 7921429471 8948891563 10813524680 10662234203 8140423119 8197865499 9880195724 10352303228 10688337989 8437191425 8638607133 8815121697 9706015934 9949909189 8660316570 9132195885 10919531920 11282015837 11149864042 12301468102 11938450376 11492115630 11294150282 11711241169 11115585638 11738798185 9317380531 11049403117 10182783902 8277524903 8247976424 12113128758 11165035939 11310015047 10804672086 11370597674 11544551284 12193796171 12314538932 12377515882 12190096727 9047804623 11212341032 9188849441 7118603219 6955038154 11895118225 11431597096 12477811062 11313831099 11497801546 11844776817 11643660174 11131512349 10470244735 11951407860 Creatinine 414154345.2 382881732.4 427589628.9 421991915.6 387020509.9 462155298.2 504820693.7 529086970.8 502339284.6 371399009.9 521472982 552428934.9 513742649.6 436575052.8 424125940.3 548843801.7 544893974.8 477050367.5 443048415 339808336.5 519272062.9 504929139.7 506685668.3 556189499.9 500908541.2 411990365 480702642 492824982.5 346028968.4 408827138.8 333919008.1 416502735.1 368051178.3 271319658.4 285884405.7 588291555.3 540337216.4 531784137.7 586760953.9 456186066.7 476548188.2 478436057.7 505628543.3 575261935.1 545391714.8 351175496.5 387088391.5 310516355.4 236403612.1 179974614.9 485366824.8 468432890 496237495.5 401851792.4 518809342.5 690199191.2 720366874.3 653844358.7 490655101.2 501165042.5 cyclic ADP-ribose 10929727.52 12124642.57 12117958.24 11368918.71 10613263.88 8699264.909 11734801.85 11123083.45 7710786.638 7645764.525 10680813.98 11265754.17 9999403.657 7107811.39 7582315.494 10500715.8 10894769.03 10407391.62 7720235.201 8112487.423 13430591.74 13403310.45 13840457.82 13830396.77 10909626.95 7949056.914 7391092.136 7054468.949 7895785.588 7179950.788 5344167.11 5673520.411 5850612.176 5277689.083 5796156.585 6626936.344 7868077.333 8139208.617 9254814.731 6204788.635 11076202.87 13321114.27 12581651.85 12840750.34 12826218.23 6299789.712 9486435.793 6827489.299 4576349.529 4812678.653 11629785.99 13011068.93 12403433.7 9466761.28 10300109.41 10109112.91 11756208.72 10719165.29 9844742.888 11865783.46 cystathionine 4873194.861 4983158.052 5397951.409 5340476.611 4471327.108 9481789.668 10746431.25 11729786.11 7537004.657 8564771.269 10329287.21 10424682.79 10604709.96 7107551.178 7962894.483 8759306.505 8939618.597 9859543.05 8083916.033 8444816.378 1584952.906 1613630.182 1648008.372 1918245.142 1388500.347 3227024.962 2120133.382 2623314.363 3092839.856 3029296.968 1732865.122 1762100.334 2147711.604 1910522.763 2191081.581 1826778.193 2065208.041 2109952.414 1940129.542 2162622.559 1274518.644 1302415.333 1539872.286 690643.9584 622193.7409 1303357.905 2361467.165 1471641.946 726723.8474 766134.943 1206803.678 1389628.271 1389134.232 2223913.939 2505109.152 1608173.194 1416115.658 1518991.281 1981870.144 2055724.845 cytidine 1129087.552 976853.598 1026421.429 967661.7506 850091.0604 2247658.014 2135882.777 2444421.802 2451543.208 1938591.511 4327206.333 3839761.91 3828132.014 3276487.335 3224909.31 6126813.851 6102344.232 6507353.387 5433005.823 4804468.916 1992593.268 1836362.068 1977401.816 2319875.073 1586889.02 4152539.746 5079920.391 7201869.525 4351181.174 4467225.992 5100432.269 8571911.386 8502799.522 4655258.993 4350736.088 20077463.48 20375434.95 20569489.69 20673307.28 13916040.1 3244758.717 3496968.366 4499041.758 1414364.937 1190925.703 3286161.606 2428107.933 2185479.99 2134058.303 1511512.739 3261288.334 3604615.904 4704622.343 7514921.636 6554513.145 12881188.53 12134955.33 13515516.7 11708496.08 11424386.95 cytosine 1613212.419 1705218.173 1680336.452 1053007.535 1159124.423 1586198.241 2047038.896 2680826.548 1256904.186 1371220.22 3364245.536 3407060.485 3528917.846 1802755.514 1905553.817 3600708.122 3607061.771 4004118.125 2560372.354 2506047.962 2572600.179 2078265.775 2428942.416 3290500.269 2406081.886 3957094.654 5990224.036 8430401.132 4427330.545 4687650.022 2850418.202 5103201.796 5457278.653 2299883.349 2133505.04 10388805.63 11441661.97 11408028.92 12914775.05 8637059.513 2161981.496 2375621.978 2894537.966 1972775.202 1735577.7 1466491.923 1348178.104 1176362.637 1212105.153 734513.3056 2181802.227 2125178.767 2968989.26 3772428.345 3393967.191 4646897.586 4359017.987 5931015.124 4287108.77 3004883.559 dCTP 230188.7532 246307.2675 335180.7923 318383.5406 262997.8605 354138.7707 484267.5583 524424.345 407152.1148 302675.0132 526949.116 432755.2301 490694.4239 310811.7452 327939.5412 464638.4769 588289.9634 464289.2648 321530.4728 374731.2544 120800.3602 165031.1354 114401.5294 164344.367 198779.8799 449516.9302 898192.4866 883055.3689 389615.51 748649.0169 288449.2723 416659.2771 459615.0122 123442.1232 92387.34915 1052339.624 1045428.559 1134538.718 1107946.08 1071504.514 484535.4559 632329.2004 784733.8547 432154.7109 364176.5837 297888.8477 313292.2745 326420.7654 255951.2815 234010.5449 675140.5475 636243.3482 675429.0044 473964.9943 587714.4994 1423456.117 1763923.543 1624961.334 671722.3992 934677.7915 deoxyadenosine 499941.8343 414499.1945 502057.6425 387112.6311 317226.9358 561017.5762 775596.9934 862208.6234 360620.7173 474958.2668 991721.4744 1077563.344 1065646.877 458732.6821 490442.4538 978713.3395 1068755.944 1012827.445 648653.6482 459233.3986 565860.1512 440497.3063 525000.8819 691450.6589 587449.8828 1004894.432 1139370.481 1536360.444 931463.4651 952528.4641 459891.5239 1111036.167 803794.6451 457294.8454 535608.1315 1143898.948 1212115.167 1351687.179 1106477.377 1372848.413 441877.8806 458941.9299 641512.3873 393552.4406 441312.0346 251987.9411 353639.6522 320432.4458 335673.0769 235685.9466 461775.3331 484151.6162 650064.8708 792419.1544 667749.2515 582398.3145 567250.3951 686394.5644 724115.2598 541387.1335 deoxycarnitine 3657409.535 3583730.096 3900307.602 3533428.785 3545752.642 4573885.572 5785209.985 6068785.367 3584710.495 4077982.67 5119958.342 5521129.861 5445981.171 3587271.332 3720102.784 4970561.052 4887097.757 5260465.522 4101420.603 3998068.021 6670438.551 6396382.796 6203675.234 7469513.687 5660556.984 4167637.119 5776480.703 5660752.745 3914603.587 4664495.669 3301983.053 4779952.645 5138324.567 2646539.982 2704479.029 6309256.61 6332667.541 6202181.249 6709847.998 5293184.581 3669236.243 4016290.516 4470340.845 4199698.606 3675292.524 2409222.547 2853156.379 2547235.022 1706694.86 1687151.692 3654815.226 4149740.219 4426423.361 3720637.11 3785264.619 4007779.039 3805826.521 4114777.873 3433401.221 3759090.738 deoxycytidine 1681367.019 1762462.511 1731034.201 1731676.753 1421536.179 3573858.509 5199344.627 5291240.93 2652850.849 3300291.743 5356134.255 5731577.237 5439601.026 2963077.713 3558246.524 5139652.929 5534595.69 5892213.115 4155547.115 4236297.518 2988774.269 2892056.609 3001919.86 3563700.256 2746764.605 7382504.131 6623994.643 7559428.828 7571359.152 7407878.79 4552043.644 5829330.378 6456035.001 4728466.531 5537856.316 8276883.576 9045799.427 8508444.5 9295591.395 7451973.15 3742239.218 4015891.006 4598784.749 2379554.113 2129245.13 3729509.399 5795151.124 4109778.822 2352736.404 2329541.811 3747397.9 3957509.795 4634021.516 6320413.689 6325185.366 5173206.659 5607175.233 6459146.027 6115504.044 6485307.702 diethanolamine 506423900.1 78585320.78 76379394.07 59852226.67 24556104.54 721442741.7 130672970 64002816.58 18372122.57 23126807.12 410566435.7 75650414.9 33334328.3 25354706.52 52702416.93 600672433.8 85381304.53 39572386.03 42677874.59 321087494.9 232232668.8 34401401.19 13067343.68 32940868.65 12321124.79 318783876.6 83413072.9 40629154.18 47115186.57 34348930.28 268148483.4 53981666.06 43494224.16 27385384.98 23314896.67 292384349.9 193811616.6 172584030.7 42118854.81 15433589.53 487477668.1 117563490.2 110203441.5 145730529.9 77354347.78 302586095.8 47848802.73 34007982.23 20095447.64 21234422.51 473697763 140856189.9 136207797.1 186560263.5 44769699.31 565480546.3 114598921.6 61950558.53 38032960.82 34128539.24 dihydroxyacetone phosphate 11830777.95 9784411.823 12589581.43 13528795.73 11990438.63 22039084.1 22385150.77 21655740.57 21578547.15 20612126.81 24568336 22137324.44 23499925.51 19760262.98 22175920.02 21131965.64 22070668.51 21309238.27 20200387.94 20429153 22185239.58 20882199.13 22478851.46 22820980.55 20892335.37 37721037.96 26652401.36 27860780.35 38278650.02 33439697.64 18845998.18 20364483.61 19223719.36 23166299.77 24999010.46 30831184.58 29741899.56 29977858.87 31091852.71 27344973.72 25765144.88 26293114.82 27386821.35 23412664.3 19785651.49 23464649.76 38219310.73 25453108.56 14190152.95 15254658.72 26124714.15 27101716.95 24973341.95 27254139.54 32255264.72 28993426.21 34002577.49 27423079.3 30806662.17 34849920.04 Dodecyl sulfate 25110577.94 6160235.29 7640583.749 22685820.42 4448934.286 10912673.35 11065196.85 22808940.55 12911305.88 15348890.78 11138250.58 26314177.77 3815330.328 12172977.63 7187808.555 5760414.041 3877391.203 24311074.26 8169381.621 22902733.8 12545091.04 12935324.54 12946870.64 18929161.3 4962728.966 85921384.49 12492909.83 7640056.282 13725881.58 20577480.37 9318328.495 5852670.139 17488952.38 15239968.72 6720117.822 16171643.63 13291795.84 15631024.63 13210202.75 25858234.61 18230084.67 12758538.05 26792555.32 12908268.87 10276698.87 78764392.08 18565262.4 5621466.67 38800450.5 19549464.28 5235659.183 8398632.888 26118878.66 20650057.26 8846799.018 16167889.08 20951097.82 25000356.65 14116900.31 14209679.14 epsilon-(gamma-Glutamyl)-lysine 101331.8845 81571.02843 104877.2354 155533.0298 123567.1195 261473.7874 303033.9849 309130.8131 249907.4293 231266.2313 296554.3081 291528.9865 330324.0568 233277.5755 241450.2167 189594.7312 253524.6859 269941.7132 216274.9499 294272.4351 243479.7856 231119.3566 286152.0533 317391.1195 284255.8488 254129.1003 313219.4318 366819.0988 290304.2905 267948.2897 171977.8761 314643.2153 323956.0432 174638.0803 245496.71 411318.4981 403877.4266 363860.3163 449331.9914 318237.2282 209471.773 284924.1904 300740.9078 289999.0461 246493.6891 219544.2768 277323.0544 184545.9351 207867.4886 192458.2459 217715.8716 260119.2273 290147.9686 263131.5997 294577.2432 258041.3588 266138.3349 263346.4705 295549.7662 253217.0817 erythritol 665016.4192 633201.4445 574488.0354 542115.0255 500488.2294 871317.7219 898617.8659 936904.3236 666875.0311 705016.1426 909639.2789 1046268.152 896155.3276 638681.5046 635204.6083 941692.1682 924294.2617 853464.4194 664203.0035 595114.6812 589518.791 592802.4084 617216.8092 678686.5913 552671.7614 515317.7809 580501.0526 586707.8848 419975.1465 528102.2515 399902.3276 511751.9043 412112.3148 325744.7705 286792.8236 711260.631 622544.734 642236.0793 761415.7672 500343.7228 647960.1447 650636.5527 765731.0295 714769.5041 704914.4555 441711.0848 565251.7884 369334.6022 286157.3593 232770.0943 634564.1686 674959.5783 725630.6646 565926.0847 703389.8757 922137.8389 1016398.929 847552.3873 618018.7178 729104.8899 FAD 634621.9812 726555.1229 578667.8002 680397.3551 508461.8744 741190.8712 892014.9918 926753.334 607871.1154 564723.519 728509.7748 782590.0181 580852.9378 452937.0224 489477.8486 803699.6106 851357.1463 598884.7038 583697.5843 578901.198 1167398.859 1537748.432 1217134.944 1353663.068 978149.647 1031112.918 1287975.913 886596.9384 730898.405 998522.9542 784971.5341 1122262.32 1041690.557 599314.6844 624369.9734 1727536.901 1241964.579 1186014.367 1402344.084 1179855.973 1089212.014 1368526.139 1191361.417 1239926.345 933466.6979 501165.0326 588353.2275 523228.5286 321389.3181 383487.6838 1032647.296 944662.9409 1244052.913 1059447.955 890651.5073 1213651.725 1132442.212 1194391.465 683082.6389 929703.8953 fructose bisphosphate 13993303.32 13781914.4 29195980.16 27941030.08 18915890.83 27983175.39 25466639.89 23621232.41 22534470.09 24508981.22 34507881.13 21330719.62 30775431.44 24080165.35 26769273.7 23534011.38 32793066.04 30105661.63 32542882.53 34948173.74 29623621.01 30074249.28 27691862.22 25901146.88 25344161.73 57171670.61 33452201.51 35548477.16 74907861.79 54168495.2 26185901.29 35251619.05 30612471.89 43053885.62 50253344.62 39058329.91 47187861.6 44283229.64 45264268.33 40960497.95 41031317.38 34208561.76 45193027.95 30157109.85 31437175.13 42210560.06 92615402.81 50801241.41 25680587.21 24528232.91 42876967.58 36093946.38 43511173.67 62087450.84 70077637.93 59369169.47 83476212.55 50946804.63 59037759.54 84563604.02 GDP 4828945.339 5644240.459 7143710.417 6402551.212 5119682.973 6535356.656 8543912.566 9229861.498 6563855.289 6128263.134 11208391.75 9226562.274 9707233.143 6307967.461 6519880.601 10779677.66 11550880.83 11736339.13 6502551.943 7392217.814 6452782.154 6785176.967 6185140.708 5466053.523 4808453.808 6762634.836 7306509.729 6926236.276 7092281.752 6250273.687 2727607.376 3666932.869 3599355.337 3434210.917 3080907.038 7452224.918 7278590.832 7979552.078 9314636.701 6518032.533 6329770.956 6914108.354 8586311.991 6898207.215 6606037.647 5808515.321 8461288.655 5728311.158 4292407.762 4074762.596 7937921.383 7364385.648 8977995.313 9179962.481 8467819.485 14420174.43 17003381.9 17640210.16 14419616.76 19175418.95 glucosamine 6-phosphate 10629367.15 10439227.45 11812892.68 11552881.21 11661536.78 11128241.21 14656325.82 14732766.45 9036549.917 9825048.297 15563688.94 16069108.81 15096950.91 9230370.718 10683009.11 15850980.22 17561585.99 16244807.03 11401170.35 12489725.62 4053726.422 4549657.175 4482744.32 4772692.352 4710361.708 4904929.856 5714566.159 5128836.615 4360303.554 5416867.939 4185563.654 5768198.751 5282001.368 2733630.717 3044379.565 6880362.768 6515589.637 6759318.854 6993490.996 6532404.076 4826783.377 5296984.844 5117581.16 4781488.862 4479156.872 2074691.142 3102398.015 2218511.224 1422821.257 1445328.556 4719245.514 5479611.311 4767438.591 3716342.523 4363871.486 4924510.376 6002495.402 5540311.284 3525618.789 4963314.582 glucuronate 3192910.327 3043727.891 3091013.319 3299706.443 3089321.553 4376438.309 4975411.318 4947126.53 3814953.025 3783992.717 4569324.883 4800309.422 4733348.218 3638836.331 3800666.583 4355383.973 4731748.401 4587665.764 4108671.745 3972760.01 4862974.153 4806531.848 4582747.386 5136521.399 4846888.118 7508704.077 6619069.807 6852541.899 7050009.983 7122846.5 6395505.949 5964070.321 6229038.904 5799060.537 6024250.274 6734381.794 6645437.427 6486528.153 6835309.008 6582789.131 3819375.008 4033565.649 4172525.653 3345520.109 3209924.081 3404674.486 4591143.64 3803703.865 2802761.836 2664096.264 3846386.546 3891541.795 4156222.353 5186166.941 5065312.353 4730691.614 4991387.963 4755045.773 4459419.171 4979348.34 glyceraldehyde 3-phosphate 8826159.234 9458504.622 9933290.528 10267330.6 9336158.498 16480203.08 24282286.45 23505411.05 12209133.11 14706231.46 21546256.21 23899748.66 22837080.26 10875904.99 13811957.06 21060693.5 23230416.32 21813693.03 15554212.95 16250024.01 15116856.26 15571167.46 14745012.63 16051777.52 14532600.2 31495801.26 37303637.45 32244061.44 27876902.2 35326065.11 23188168.49 33827212.19 30437736.06 17006136.31 19351816.36 36264710.93 37182744.06 38055572.75 36816508.62 36548131.36 14146497.87 16379821.17 16956038.23 12023740.43 11630487.84 8250971.264 15597711.26 9566771.024 5461308.644 5701367.65 15135849.29 17396632.47 17612120.43 18430468.25 20635151.53 18476497.94 20319942.26 21073405.23 15588162.95 18923788.19 glycerol 2-phosphate 38288519.83 36799976.66 43387247.32 38587594.64 34732932.71 109845353.2 116279929.7 125765881.7 112863150.9 105122054.4 121403009 115091215 125002647.1 101341196.5 101697084.3 101433761.2 102191049.1 110687419.8 94178815.49 91614621.81 22609212.36 21376037.31 25542312.85 24538242.34 21623509.9 112076722.9 80939064.96 102563214.4 127582712.3 99842709.83 91661729.17 82447525.68 81535435.52 132289027.2 112825006.9 93731621.56 96295567.6 101130804.7 118097547 100251725.3 91305754.41 89873381.17 106933789.6 35888192.67 30838272.08 164239171.2 170937512.3 172685413.2 148232035.8 148373651.9 94424760.79 94997756.77 112123755.4 155107281.1 149488615.2 138521180.4 148222630.2 145508799.7 159630830.8 170667183.4 glycerol 3-phosphate 9359028.69 9586328.611 12030111.68 11613273.33 10353660.47 13458257.89 20402847.08 18915872.33 10896406.71 10753778.5 24978868.83 22099275.59 24099054.36 13079520.44 14215861.67 18856483.22 22805327.63 22461465.07 14813383.35 16260491.85 3461082.757 3699140.066 3795431.518 3655964.941 3107373.784 10742874.81 8738005.141 7787537.088 10903954.81 9250409.197 6971566.011 7608985.49 7076037.674 7387927.594 8287074.85 8736769.604 9439885.385 9573969.877 9390140.619 8846834.934 13798770.84 16122075.88 16246305.52 8400379.881 7558775.391 11182481.26 21175501.16 12869221.84 6842192.624 7077853.074 14395062.02 16860965.06 15087569.11 16988465.31 19484443.74 19474020.61 26868895.35 21544803.56 20700242.67 25573583.1 glycerylphosphorylcholine 3367221985 3114901709 3766238821 3214725131 2982720418 8412641883 9206311793 10185045916 8775924587 7820260729 9397968148 9098688690 10058906593 7769296175 7455058758 7990295864 8161254140 8678073462 7105317714 6896448897 2560373817 2464628629 2874072061 2767469607 2330028131 8887695592 7175366461 8822358829 10175812317 8179689299 7283898223 7164341229 7081657845 10473781786 8717099538 8676123970 8603812126 8792120142 10560162953 8408410319 7399151222 7377382993 9028287912 3366815389 2942624343 12558575454 12198108786 12546287784 11190608550 11074093981 7424096200 7652811066 9112939899 11426109297 11485831287 11225802468 11245714943 11503525230 12098137177 12973624314 Glycine 4135154.978 4341497.074 4272402.325 4493152.688 3739287.538 11503298.4 11288028.89 12250697.2 10713277.75 11250800.28 12835661.18 13450373.84 12857694.88 10754228.69 11036833.94 12290127.14 12880178.88 12171475.53 12174787.37 11980929.55 934189.5543 583018.8222 759408.5325 741782.285 609456.718 3160825.99 1294584.72 1919694.839 4471838.483 2235200.521 1911190.024 1184992.462 1481234.052 5750087.076 5113289.084 1481679.429 2033325.518 1616288.263 1543065.143 1616227.319 1806280.111 1129750.552 1575352.908 691070.2234 646514.8281 7478518.251 7025919.643 7705053.237 5966500.72 6174909.298 1469373.597 1267195.743 1452155.972 4836481.167 4580567.103 2799179.499 2419749.541 2576872.521 5496433.807 5033081.703 GMP 1429677.99 1473965.638 1708370.657 1571198.134 1311090.125 1867430.925 2103330.475 2366302.217 1804065.626 1798843.871 2482813.236 2271952.141 2409572.728 1592954.052 1739515.288 2559442.292 2539777.373 2535612.196 1755131.317 2029294.832 1454648.967 1453052.406 1491947.088 1414155.321 1213843.6 2015405.032 1945028.622 1771562.045 2212688.339 1671995.25 809977.966 1087137.832 1071363.784 1325074.536 1318025.973 1754210.505 1677670.309 1958306.172 2225773.335 1505117.591 1439790.592 1658820.141 1800697.369 1440746.594 1341556.403 1863361.533 2574249.021 1718091.049 1431093.484 1392090.397 1729147.257 1680885.731 2131266.074 2586067.421 2338361.292 3103322.142 3280831.673 3589514.713 3513024.354 3919712.907 GTP 4599279.35 5036252.928 7118796.7 7070184.911 5214384.154 6458486.85 8542295.066 9587722.187 6797316.084 5466521.683 12259975.71 8809139.515 10292749.7 6208129.902 6724498.827 10686494.95 12607168.29 12568026.79 6586438.263 8236228.521 6214779.677 6368717.113 6801242.256 5221376.863 4696312.811 6500589.854 7973197.915 7273303.874 7235736.019 6872752.674 2547267.561 3466685.844 3713887.605 2920389.974 2740768.677 7879187.789 8368692.078 9008453.833 9562230.405 6759482.361 6227721.473 6692826.248 9915999.126 6643523.055 6794740.283 5825727.742 8407713.171 6177468.163 4057133.055 3901624.367 7947027.923 7377113.891 8682756.926 9929296.744 9767912.324 14268947.71 22271979.77 19484376.13 15967540.77 22589733.04 hexanoylcarnitine 3109282.992 2356701.733 2562924.639 1927277.823 1803951.72 5258778.117 6283540.865 6040373.179 2166977.275 3700255.626 6171782.927 5912489.721 5489671.034 2660030.773 2922677.51 6400532.241 6537598.666 5839301.014 3289405.919 4592351.292 2986122.61 3142532.846 2845876.71 3458719.326 2283735.715 6867501.351 2860658.026 3690773.394 5414914.051 4145292.683 3401815.467 2373898.334 2425171.775 2753680.983 3557560.363 3851048.781 3251951.144 3427297.763 3279595.184 2710651.295 4013020.821 2934876.537 2705935.382 1491643.375 1708076.447 3663226.152 4499107.105 2249726.054 2174728.385 2162177.187 4345313.54 2821850.885 2739900.213 4338278.868 4266676.61 5263808.034 3769890.516 2581939.522 3550473.43 4091208.241 hexitol 24054864.16 23116305.01 24415263.02 22302945.98 21907676.48 47237128.44 42862759.36 44516033.51 41949159.53 43206751.29 38842614.97 39400113.66 39945257.7 34779980.21 37071310.19 31195120.05 31276004.36 31773778.52 38587151.72 34847674.15 24395455.06 24936671.54 26664672.96 27009675.17 22126848.57 69454926.04 37149633.33 33390309.06 71885237.99 46913533.87 37038880.01 34168938.5 31208358.04 65982057.73 76112840.97 35826249.07 35619521.68 35049986.07 41018090.88 31371950.88 64982801.32 71207592.76 73234463.57 41128088.46 39740431.94 58218263.91 103950198.4 71264729.32 38799221.46 40059017.84 62143999.34 72383654.47 73856657.62 80755360.93 89772568.28 34895332.1 47376112.96 44451226.58 54144210.04 58326475.61 hexose phosphate 8804483.98 8199894.962 8921102.551 11747792.69 10023800.7 11382747.11 12082103.84 12383147.27 8866196.903 10340545.37 11998160.53 11816900.61 11089806.87 8939047.089 9053721.823 12661805.54 12430060.05 11434962.51 12938394.41 11148924.92 18606309.25 16872535.14 16663719.55 18981881.87 16701799.71 18894279.24 11369069.13 11403781.45 20480285.7 15463799.68 14235433.52 13257318.26 13268932.42 16951436.38 19709230.38 12507129.73 13947767.79 14020258.82 12522496.81 12842061.77 18492324 17728924.68 18010497.48 15985239.79 13917513.16 14607974.82 24832880.03 15728828.69 8306460.168 8538539.038 18902674.3 17943151.43 18006617.45 22906925.63 24164735.27 17288432.33 18864019.57 15739532.27 21819971.07 24344549.99 histidine 24241858.14 21338193.91 14960819.59 16463176.8 15533038.76 55618143.23 38730548.14 45066808.97 46596049.43 51042739.92 50977301 54332536.93 48287083.22 49053566.72 45770676.2 58889834.34 49612772.76 49090793.12 54074723.71 48153852.99 17985106.11 15588755.97 13668854.32 19640838.76 12578218.74 45740309.96 21814086.86 28757872.67 49208219.79 31768147.01 28149771.98 23979767.99 25071332.98 54120575.13 52981417.25 31388263.24 29057564.9 24727392.99 28439504.97 24624320.33 24627165.11 18417273.35 23169910.69 14643264.33 14778161.06 65045751.21 69139938.62 68744126.96 48609898.25 48123331.44 21887425.85 18659111.47 24134407.02 54089752.98 56327766.61 41881029.01 37752718.27 37280715.7 52112445.83 42607557.44 homoarginine 1957126.303 1728688.054 1757708.235 1758519.889 1531562.272 2669228.103 2660812.455 3058240.233 2733028.642 2069772.246 3098314.732 3340131.727 3129388.339 2543364.94 2482471.435 3586483.522 3221109.248 2958080.612 2790601.588 2094976.561 3719122.448 3653843.439 3814786.277 4093713.452 3696337.16 3034574.824 3124648.825 3140943.383 2822461.533 2882437.866 2135998.551 2534816.025 2335126.536 2404339.463 2515410.688 3801852.282 3611206.701 3643028.858 3763532.42 3098285.037 3093444.507 3059798.565 3305233.375 3671528.007 3380793.302 2767123.771 3155458.895 2622737.235 1769126.287 1486824.287 3099516.767 2994878.931 2870616.998 3119708.266 3530559.085 4208242.544 4239100.607 3694268.211 3261067.562 3380597.247 hydroxybutyrylcarnitine 30425012.11 32357587.63 33354070.82 31346876.93 29710876.33 14783153.77 21666992.51 22408603.46 10339716.13 12606555.99 20464590.4 21975115.49 21347377.1 11593697.92 12745704.69 20690076.6 22391325.14 23231169.35 16162049.11 16453283.04 88402770.11 92006530.59 92010646.72 98869067.95 74192214.5 39845672.78 57162826.56 48440032.6 35706321.75 42441847.31 28237618.37 44965910.08 44867922.25 16837107 22390182.33 64779800.36 62176188.21 60458113.53 65984513.39 49531454.12 39798977.47 46086121.92 46899401.51 54556882.8 51254132.32 11045490.8 22320120.65 13103574.69 7573936.243 7157466.468 39632813.18 44138642.29 46249915.13 25707949.48 27329255.79 30121135.68 30652109.03 31086302.52 22938635.67 27743271.86 hypoxanthine 1629906.329 435181.4762 621157.1775 1246371.741 490068.8564 10648616.4 5360943.759 6064601.593 16600345.71 12848103.96 10598708.36 8386050.681 9219780.98 13709483.46 14820038.79 15808928.51 16471459.53 14171915.52 17683467.85 12752243.54 1187468.083 1178793.047 945004.505 1467064.224 1110117.826 12954794.82 3212840.09 2987933.004 17099481.52 9709047.463 4541878.772 4180952.983 3860247.294 20789254.76 19216923.52 4985651.325 5203991.076 5072666.422 5389544.593 5897838.951 3953805.728 2662336.489 3280371.775 1194803.792 1597706.573 26155106.04 25910519.13 24073623.46 15018652.51 16280182.69 3943329.143 2727931.286 3365552.188 23811484.29 16444869.15 7801219.82 4501329.066 4151257.529 14798708.77 18714122.64 IMP 718795.5986 890316.6214 814645.3336 650425.4754 626408.8104 3356003.443 2138995.692 2092605.214 3172812.097 3057881.516 5253891.035 4017124.951 4407118.458 4986486.213 5118136.9 3796523.003 3946888.742 3908745.102 4660547.113 4860159.576 1256645.995 1136281.934 1461972.536 1315833.009 1269420.893 4292788.694 2300433.477 1639078.625 3493544.384 1821659.4 1043506.484 1244037.996 1120233.324 2576946.203 2753485.571 1701560.396 1474652.457 1500399.916 1612116.084 1267896.319 2110927.247 1969820.595 1964245.509 1551808.884 1343134.57 4311123.842 7814294.43 4829738.563 2017090.278 2509082.007 2310641.045 1983753.695 1762236.433 4724490.666 4933232.377 2380628.95 2742681.421 2299595.589 6956613.981 6471448.799 inosine 349575.7225 433240.5846 419461.1683 499455.4771 378340.2501 2461548.352 1461111.787 1455430.133 3648279.71 3371042.142 2624309.043 2111925.336 2267966.575 3528433.377 3329606.225 3928243.93 4039472.863 3517644.961 5491461.979 4461309.704 1174121.462 1182956.063 1176024.254 1583896.345 1150809.078 2979142.69 2061140.836 2148157.066 3071914.377 2623093.747 1870881.851 2397191.207 2191636.35 3344203.283 3053023.234 4016054.974 3981895.093 4196579.443 4283307.771 3160535.407 1841359.546 1578937.27 1803751.693 1001440.945 803265.9015 4867613.916 5415752.077 4181224.492 2491543.027 3197741.329 1931146.383 1648875.835 1812902.256 6355349.028 5971611.583 2998782.077 2675760.368 2875577.499 5205320.58 6136739.956 Inositol 60719556.64 52135908.32 50542251.13 51449734.63 52869458.28 56527498.78 56515243.28 65590293.15 48014563.23 50809642.6 48032878.14 51874547.25 52770596.54 40741750.43 44703550.76 43053701.07 38108870.32 42146557.57 42310568.59 37839655.03 184084371.4 174138648.6 193818058.1 234837222.2 227773942.1 160428489.9 183881180.2 165460879.8 138332049.3 170966765.7 168889498.6 180925120 189465649.4 129515026.5 145635022.3 167736472.7 139561686.3 142703459.3 143739041.6 134676668.5 157485854.5 160790293.8 161672127.1 191063729.4 157263895 111861054 126876168.1 129478103.5 92752832.13 99103026 152170209.8 154932828.3 160829860.5 152873337.2 155397692 106780547.8 103638715 110623697.8 101176225.5 104868183.4 Isoleucine 185078859.1 170784792.9 170056056.9 170197050.3 161892568.7 290541072.3 291099721.9 314254590 303795455.4 269155010.6 321662051.7 324017854.9 321162449.2 287890193 286043134.5 327849942 318567426.8 316678468.5 307850646.7 272730877.2 201354291 187156142.2 202836950.4 222472535.2 191228787.2 340065564.3 223021937.2 280427420.5 366389186.8 273892024.3 235004453.7 201038200 206225007.2 345413791.6 334767369.8 269971800.6 255202585.2 254873934.7 272352096.9 235150965 246869463.1 230807194.6 260131456.1 210029042.2 193885157.8 401851298.8 445294421.7 405335604.1 303260876.5 302716756.7 255418326.3 234329120.8 254727871.6 361563556.3 385436121.4 343251191.1 339343249.7 312827826.1 382821558.3 372636152 ketoleucine/ketoisoleucine 2722218.547 2019121.761 1503858.233 1689772.984 1543551.049 3130607.377 2466835.16 3057130.184 2578343.207 2608812.986 3628772.312 4773944.065 3283445.838 2576338.856 2570647.323 4344188.432 3803894.899 3106667.727 3071013.973 2188603.443 3771846.838 3382866.57 3175307.159 4175120.486 2957187.68 1617107.613 3406666.663 2588635.545 1061811.684 1838411.461 1206090.93 3163770.358 2379275.346 978047.5467 1145266.584 4632308.297 3907881.654 3844291.307 4536070.398 2726241.049 2216814.989 2248328.43 2259602.724 2971315.694 2561894.504 1096166.074 1343485.891 947567.0261 790794.6161 584928.5682 2125373.637 2216224.941 2271161.289 1552802.106 2117748.432 3445138.715 3228072.83 3525624.894 1871597.098 1843304.418 ketovaline 1127464.488 1105699.028 981675.8256 951749.3653 850287.1871 1535418.315 1422480.101 1551002.5 1576365.108 1461213.686 1754941.212 2356336.671 1212350.519 1100841.407 1414355.128 2028983.017 1503332.956 1200446.372 1399664.201 1101651.619 2035653.737 2286125.423 1582562.08 2558452.725 1533314.202 1075867.166 2393686.582 1519027.466 846958.0781 1059394.461 815189.619 1794720.164 1299182.752 657338.9648 295345.6961 2660262.491 2447570.104 2203131.99 3114994.081 1640466.037 1665421.29 1454544.11 1831507.042 1670318.929 1999516.453 783096.1323 217465.4538 516565.0026 195360.2368 442357.8453 1547513.517 1104718.116 1648184.601 1437762.133 1301881.186 1099091.405 1407032.069 1903959.975 807453.4071 1043084.069 kynurenine 941278.833 773958.5021 882544.7228 938887.3137 915560.0817 1426209.095 1379594.744 1611985.617 1739490.363 1490213.865 1814616.906 1489970.021 1632552.757 1780381.565 1562087.205 1679953.936 1527283.631 1726220.888 1817556.905 1557340.991 1010581.636 884010.5282 1250666.093 1109320.263 1035495.25 1585117.695 1261088.925 1404351.869 2160100.824 1164611.36 1469679.362 1162047.518 1183933.84 2217158.618 2561594.955 1667834.264 1631401.887 1549152.919 1724576.563 1636341.665 1385484.969 1132564.707 1329058.916 1242778.74 1072653.99 2610393.104 1942422.399 2177047.857 1875553.11 1937396.122 1405557.661 1290683.411 1541347.023 2360671.412 2232434.541 1415090.677 1150565.658 1559562.603 1989736.206 2086103.914 L-cartinine 2534996685 2651102214 2803534350 2599380659 2445128577 475422642.5 716456117.7 764061287.9 350004891.1 390240842.5 538222723.6 592467203.7 546853531 295664344.6 320767010.8 513845044.7 507625010.6 509764928 358038875.6 339811575.5 7554381190 7877124083 7828028527 8350553196 6785285164 1224942326 4103941497 3092851748 1125349770 2044734560 1276091418 2929986517 2839596693 418767342.2 587276019 3930181081 3618257324 3519916176 4316737589 2607936231 2978867038 3410301393 3580072097 4892423751 4707114721 304402744.3 386967724.2 312614875.7 224722714.9 151804111.6 2995721530 3212893566 3518552747 1144222963 1106173250 1344688000 1338247167 1694787882 981578921.4 954277336.3 leucine 194081272.2 176544881.9 200155632.7 195723262.5 180936218.8 347196640.5 359478534.8 385346749 365066068.4 309247783.8 384191057.7 384810164.3 401053128.8 351146417.3 345487132.9 376770750.7 370897995.8 391670000.2 354098145.2 319404416.9 201824035.9 198579747.9 219252976.2 230355749 203456202.2 363967007.8 247595910.7 302544198 413521607.1 303863844.5 254058654.9 213395278.4 225357865.3 396922732.8 376085470.7 280268071.2 280316433.5 286983058.5 315875357 270711818.7 273573419.4 255305654.5 290368361.7 225347683.1 196477759.3 454241271.3 516860870.9 454374275.3 356097841.2 348718670 277373406.8 256844528.7 293559596.5 408201376.8 422434244.1 389745580.9 364854372.7 346357394.9 424498653.8 444260106.4 lysine 25380328.54 20916421.47 22384052.52 23911417.39 20126131.98 40262609.65 35717348.47 42499114.06 44430181.98 30655631.28 45145680.56 48009981.66 43506504.09 39681428.81 37618672.84 53085515.53 47953710.18 43274949.7 42480096.63 31118733.78 43041258.84 39167698.41 43141800.35 46225142.43 41420259.56 40723032.77 38518560.56 43191256.86 39265703.79 34312023.91 32430785.49 35996989.48 33906372.74 36492566.99 37697425.93 61721573.57 56560868.13 58089507.81 60521364.67 44909027.32 39735967.72 38697361.95 39363627.3 44568932.63 40086735.39 43173257.07 44017518.85 38202662.41 28335407.92 23073834.59 40197245.93 38047284.82 36629931.25 42936505.21 54585040.18 62904255.92 62965603.23 56424067.08 52202378.2 51293914.69 malonylcarnitine 125507.4769 150249.0435 138119.5465 86872.86682 63632.44756 115474.9912 116905.6 101703.346 63023.74573 89158.06156 132264.0772 193438.9203 110245.1823 81252.44763 59055.97764 115143.8019 104458.9352 122901.6144 66847.65955 86987.99622 1442688.023 1456508.902 1370170.155 1473577.09 1243417.665 1208539.852 1376916.675 1206794.121 1009401.992 1281937.753 794453.1312 1217833.199 1043117.525 596911.4489 707894.6277 1324052.084 1408266.741 1302250.864 1458552.144 1080281.406 554789.0481 687985.1095 697834.0767 665920.9415 638568.8922 331413.4568 331115.786 244981.058 154485.0113 130292.8718 588739.0887 629007.7443 639704.5652 536724.7455 484843.4192 456899.6919 620258.6516 573980.6887 405591.0249 526778.935 methionine 41929211.31 36418615.18 42165181.59 41928073.77 37603029.2 80929148.33 81768776.91 89165091.38 86795418.14 73084756.85 90683882.05 86813295.02 93031955.14 86488491.28 83319542.95 88658264.97 89284040.19 91467988.72 85546532.8 76821928.66 28867840.27 27319388.72 32648151.58 31498050.98 28503247.66 66290409.36 41264961.6 53686850.3 78680146.89 53309899.59 48554621.66 37685128.07 40184999.86 80767027.25 73532247.26 52559450.03 51602096.53 53201126.17 58760353 48644292.2 44717572.32 40419515.49 46138002.02 32718688.91 27065560.54 93721558.2 100663223 93234655.43 74095574.88 73198874.8 46606273.07 41125685.54 46955906.94 79372397.15 77442534.98 71100543.73 67736354.32 60313309.5 86189121.66 82307570.66 Methionine sulfoxide 2007147.275 1255315.961 1763292.756 1889271.457 1345562.127 3357699.589 2936116.697 3215168.647 2758762.857 2860411.984 1759539.769 1881125.946 1852333.151 1923171.734 2156383.647 1921643.792 1303266.954 1507382.022 2298702.21 1942415.756 1343526.339 1188724.856 1316160.392 1509845.444 1638843.796 2103279.159 1596869.373 1894131.517 2094926.604 1739938.442 1829371.152 1830282.194 1939749.566 2469193.619 2878934.319 2667491.099 1803175.189 1900256.015 1521607.397 1903376.251 1987063.547 1608260.182 1939997.464 1606855.321 1314240.283 2431787.189 2519138.506 2436536.87 2320689.926 1717282.274 1922250.239 1826898.741 1894625.239 3419532.979 4456031.768 1352937.59 1522465.644 1580272.417 1798340.967 1366459.155 methylthioadenosine 9463357.545 9721771.527 14547097.06 15023929.7 13678818.81 9400150.62 14451117.35 13855148.1 11960202.59 8590315.042 11091112.85 8959540.127 12110325.75 9158768.355 12014406.05 8588836.92 12373867.08 12103537.02 10675634.4 8359059.832 10636203.62 10669603.68 15166706.41 10618728.95 15267659.1 7266048.786 14185691.26 12738713.12 11225590.56 11171317.37 9939824.632 8316073.284 9935511.371 6531295.39 6637768.326 10153475.43 10104165.58 15673441.66 9869818.713 13812829.41 9071882.425 12063096.98 8404783.659 13105109.47 9923771.353 5256701.098 6197824.281 5525781.552 4264451.859 4010031.942 11976689.93 11704049.54 7556162.942 7862162.713 6723515.644 6436644.856 8013403.111 6686023.1 8786117.522 10128401.11 N,N-dimethylarginine 4219853.453 3953565.256 4081598.801 4023949.564 3517988.574 5614164.177 5818526.194 6667545.199 5200130.766 4462526.456 6651290.9 7116323.537 6370032.608 4564442.904 4746549.871 7278899.369 6872759.077 6396046.834 5529716.831 4485409.397 9407013.187 8992357.07 8980547.085 10559405.81 8045812.383 6865332.287 8124346.121 8927628.253 6747817.827 6819221.909 5422273.315 7534376.071 7577216.869 4940650.448 5430763.457 12392198.98 11851370.05 11995118.56 13312067.22 8697169.944 6185477.036 6214884.968 6737285.547 6960263.878 6561745.434 4640857.324 5480652.009 4246936.555 2956392.57 2434281.883 6082384.395 6194790.203 7016585.78 6587793.996 7666744.154 9216296.652 9202394.211 8973228.11 7296226.848 7483184.491 N6,N6,N6-Trimethyllysine 3681349.808 3338935.457 3424407.799 3460212.251 3236536.719 5693487.283 5483006.094 6249507.353 5480561.089 4682032.536 6593747.321 6987595.191 6298873.745 4854158.397 4977291.384 7014328.222 6787020.359 6316274.576 5889119.873 5084069.129 6484334.069 6676196.764 7728397.828 8903586.149 6329962.159 6957893.201 7051054.718 7533170.123 6833114.234 6322723.857 4907484.941 6280315.352 6329808.764 5495875.885 5074431.318 11291583.17 10601324.27 10559984.18 11379749.73 7862599.304 4710744.562 4736518.237 4126866.335 4584308.545 4596097.643 4506711.449 5392185.179 3775834.732 3242734.369 2984451.483 4682934.096 4772794.459 5183310.092 5885306.996 6633633.377 7714655.417 7944650.674 7497948.9 6990276.81 6947484.117 N6-Methyllysine 3173407.181 2891813.279 2770631.146 3243326.842 3101092.611 6667800.678 4629295.4 4209950.954 7504443.25 6646177.195 4325894.573 3913269.646 4197711.748 6744871.548 6704373.254 3857755.792 3817959.347 3926877.764 7029674.936 5968903.853 5626881.452 5592155.087 5220585.114 6472414.581 7853540.954 10786054.25 6433243.165 8715704.561 12072593.88 8678996.729 6006170.282 6590437.657 6604210.581 11933875.02 11470183.35 6943836.677 8690072.116 9272462.452 6809745.819 9706910.747 5401050.927 5580544.259 4419338.525 6933531.704 6091366.674 10358243.88 9934637.298 10079409.83 7820186.65 7904710.987 5683738.007 5255053.491 5262655.582 8638043.566 7970550.722 5321085.618 4479456.987 4505810.694 9654709.837 7993855.97 N-acetylarginine 439718.2383 605477.77 505596.4588 499090.3411 462838.4292 556044.6915 618832.6841 719144.4563 452832.3643 469162.1939 1226204.63 1072935.788 1163596.403 501974.5073 701213.5528 1323664.455 1764905.393 1599240.85 1155624.258 1132161.073 431629.0053 503067.4721 485526.622 464217.1259 421302.6557 717046.0584 1014136.824 1332634.272 645992.8529 755909.0126 926690.5737 1641856.61 1440593.186 560847.1739 586401.8105 3908863.03 3705879.561 3586003.111 3809157.991 2188774.632 721314.3394 937693.7294 1214879.355 372177.5762 463393.7688 321363.7134 424724.3966 344941.4477 174545.3941 210486.4573 900817.6009 1022277.694 1513651.601 1626967.731 1499207.708 2511982.989 3009097.949 3425935.35 1956575.954 2351634.014 N-acetylhistidine 5072261.683 3572106.523 3462123.933 3682534.897 3152001.274 9582143.846 7922873.741 9023335.34 10134370.81 6973872.52 12101262.57 13099176.23 10798355.28 9284564.322 8235113.146 15564323.56 13911874.36 12423014.99 11172020.89 7236895.858 5077630.799 3499371.473 3631946.054 4925736.409 4770153.115 5694951.801 5110976.155 6850679.117 4149809.161 4601229.919 5255788.49 5645401.931 4399953.858 4914586.334 4848435.405 11084873.04 9136452.749 9082337.858 10009802.34 6719397.61 5956244.18 4668094.976 5535580.852 6836524.794 6379488.557 6954517.755 6197854.591 4689382.561 3916337.862 2211412.124 6403911.051 4731402.173 5747238.359 6895918.158 10566059.68 17313119.88 16871361.01 14391074.64 10590224.23 9766625.41 NAD 131271319.1 147260997.5 147167236 139507579 131116616.3 99843894.42 133005000.6 125860130.7 85289641.2 92970272.85 122637798 130305006.5 113188205.9 80169232.01 84262432.27 117454268.3 126594556.6 117202287.4 89997641.05 97611845.81 166541021.6 169845617.3 171463613.7 171044405.1 134287135.9 92178850.99 88981907.77 84028840.07 93098166.68 88697868.1 63365493.07 68992656.72 67573903.32 59951145.55 66480969.48 83846081.55 92986130.67 95544189.5 111436848.2 73206924.49 138577329.5 159068854.9 158395817.7 153240246.1 161786389.3 71475846.2 108051166.8 78494277.23 54585235.01 54980322.21 140086455.8 156656469.7 153410440.1 113509337.2 120722728.6 120455007.9 141386081.6 126432282.5 113024695 137533521.3 NADH 1238360.223 2206507.36 2161540.073 424159.93 917417.9989 1298170.111 2590382.827 3893571.889 874840.244 910593.1105 3896319.579 4962652.676 4583520.352 1306811.729 2158026.301 953450.7633 1847097.738 2354774.352 496025.7164 1151170.927 41629.18333 13555.15681 133999.8703 125590.6705 106639.4012 6445146.669 4087687.186 3940513.347 3719092.925 2044039.796 207508.6567 206449.2161 201105.3904 1997704.626 3123024.372 1587498.61 1344345.622 1406500.92 1956441.266 818902.4365 526965.4372 930487.9203 1453526.984 486839.5637 417565.5843 1867391.938 5139615.45 2977104.432 955982.5846 946364.6633 313519.9143 757237.2741 1225450.576 1323681.992 1269166.28 2627847.006 5645548.992 6536079.358 1848076.576 2574427.996 N-carbamoylaspartate 16889812.39 15073565.94 16338253.88 15954481.49 15269516.74 21159920.26 67668104.43 68159379.79 4670120.643 11615886.62 32505067.61 45655758.74 34180169.2 4453136.59 6824040.946 28444308.98 29834136.41 28113660.09 8228063.668 10526079.28 6353866.06 6377276.095 6493555.18 6702387.156 11505113.92 70043641.01 58549234.8 85743858.55 31850699.14 69839040.92 103430265.5 60225272.92 51818510.52 5669722.9 10777216.87 48318885.81 78583828.17 80645606.58 43810466.78 87023538.61 60766247.08 53995170.51 54597271.95 24167089.97 20499557.84 5738210.082 22011582.98 10760241.72 1659538.952 873540.1063 62454137.07 55362711.9 59282299.93 58618305.74 86545099.71 111150549.7 91217053.72 70437973.79 43489611.22 70309476.74 N-Formylmethionine 3289837.835 3334668.064 3520186.498 3126649.186 3186280.136 3566463.552 4785738.333 4930895.756 2804927.054 3159050.407 4264485.589 4675982.043 4667296.556 3065618.152 3388688.155 5053794.936 4668301.983 5024575.357 4050121.539 4066252.397 2543258.053 2795653.179 2751203.23 3085374.508 2624739.529 2909102.166 3419449.108 3062285.167 3619331.255 3794727.827 2059242.899 2933850.577 3060404.217 2279789.082 2140428.353 3487054.771 4241544.331 3630323.768 3527406.072 3402081.018 2297192.145 3027747.07 3029015.313 2391410.283 2104979.364 1738283.299 2701622.003 2021574.734 1279015.749 1458779.49 2646344.461 3064910.975 2974909.937 2796247.286 2732097.558 2673717.961 2954812.702 2933955.227 2813429.77 2893690.151 palmitoyl sphingomyelin 305878034.6 295923365.8 267626916.2 273366044.6 249229842.2 518463684 500265065.8 481805985.3 413311950.6 502857941.7 405795089 463572001.4 349440281.1 359420104 391368545 500304098.7 443734741.1 271692777.9 481622981.9 360860671.9 119363675.8 122575264.4 118233687.4 121996123.5 118796933.5 420745902.5 319699623.8 347988614.2 353948603 364341738 441646601.8 357985301.2 380663871.2 354971463.6 386142513.5 295622921.8 297139860.6 248177248.6 186873601.3 273414151.1 198157828.7 190490436.2 207454945.2 144140979.8 124329145.2 272247061.7 287443076.7 292819992.4 213518044 218704750 255639982.2 245637501.1 252546367.9 361874371.9 318789649 269711304.2 224580345.6 290855161.8 347988489.5 310316635.3 pantothenate 862938426.4 855939542.2 875139764.5 848769393.2 829957690.4 1300835296 1502764690 1518751077 1226938797 1254350074 1545095444 1520191165 1455570637 1173978867 1196398212 1541658238 1672678803 1605848482 1435251067 1449521218 2187825006 2240052057 2224671097 2261445100 2098246991 2235464229 2879160510 2759356627 2087012080 2429188877 2052337781 2629468343 2438116678 1537138897 1557642437 3709758778 3467426633 3440674012 3778209254 3089522345 2070874776 2203716475 2273800791 1997648946 1865504023 1398066615 1871033335 1497188001 1044935895 1024076012 2085601382 2231825957 2320535129 2069754998 2121151008 2574868663 2816175441 2645443356 2200969457 2486811424 pentitol 2575874.812 2609779.934 2047908.106 2015512.807 2042793.237 3215638.154 4361862.28 4289109.503 1950869.965 2797318.752 3996443.97 4543065.605 3883720.925 2000460.563 2337905.163 3884182.153 3883950.491 3570394.883 2911730.485 2874050.816 1851309.786 1925309.173 1597199.11 1974802.888 1368872.409 4488969.892 3151136.815 3174074.256 3490684.514 3682598.73 2492608.124 2954493.545 2701578.502 2064982.885 2669746.457 3478052.366 3369943.776 3037119.889 3502768.94 2837264.663 4377602.657 4543669.74 4772818.947 2406070.02 2812401.802 2193436.074 4325589.991 2641674.822 1384134.93 1305861.923 4332733.847 4752998.532 4790668.156 4473203.34 5415416.33 4970857.578 6210622.561 5572767.033 3763589.615 4467261.028 pentose phosphate 7643796.372 7298573.585 8793438.992 8111593.371 7432921.06 13777490.89 16871880.89 17080375.09 9962511.139 10840431.89 16114653.98 16096680.19 15008330.16 8633845.202 10602530.94 13648055.1 15486326.94 14277207.5 10692133.25 10699363.45 14487613.41 14472480.35 15897489.47 15025624.33 14033089.06 30394612.86 21000799.03 24291958.47 27099618.1 29342301.21 15384658.43 16405418.96 16397925.24 14632374.64 16429988.33 26624986.06 26359444.26 27303645.94 28343279.62 25789768.25 17661481.32 19135330.62 21694830.52 12872512.45 11619599.96 12261697.6 26262463.55 15672598.62 6511133.014 7188945.196 19499080.31 19961412.98 21120775.26 25806778.87 28452405.04 26045943.07 32242440 26245762.41 22752141.81 31141371.37 phenylalanine 13884655.8 13189704.24 13128684.43 12793468.78 12139943.22 25131958.4 25806596.78 28398072.01 24674799.75 24291070.32 28211612.36 29185614.02 29463390.23 24838447.84 25100871.55 28745224.89 29015504.08 29579956.66 26283727.36 21942707.11 15289059.59 13478954.22 15761434.72 17674489.41 14207522.55 28609925.58 19109447.39 21534937.05 31505436.73 23692755.42 18053697.49 16344402.83 17855595.06 26728753.02 28007117.41 24319607.14 21876558.06 21777612.13 24698761.86 20819201.62 18618209.25 17817582.31 19179922.05 14228110.66 13174804.64 31618981.99 39890894.95 35378525.88 25173421.65 23257889.9 19532400.95 18105695.35 20901439.62 30392321.53 31655913.14 27845273.77 26728615.14 24408311.21 30396402.95 31040727.16 phosphocreatine 246002523.9 237291240.3 243503327.6 233540769.1 228715271.4 294216979.2 339361534.9 343405229.6 231378607.7 258019357.2 325813182.2 335502727.5 313002099.4 227603836.3 236911668.6 291010341.7 297616119 295235392.4 252579180.9 255596271.9 2083936.367 2045727.165 1741588.232 2294387.22 2064776.725 1737830.834 1832590.201 1661833.1 1297525.293 1541356.807 1108264.267 1696098.284 1376177.373 802512.1239 1044157.333 2179845.92 2223832.262 2147224.022 1784026.554 1820794.469 1825790.297 1896751.402 1995707.051 2367412.737 1952528.348 827426.5083 1231679.858 996142.9476 554553.2215 532019.7306 1570309.086 1817002.228 1810167.37 1458432.593 1393775.729 1506765.291 1637724.207 1546505.608 1420407.019 1289167.587 phosphoenolpyruvate 9844267.37 11019790.5 11275680.34 8229148.065 8546767.673 4363563.595 5891588.636 5528425.365 3029826.53 3117945.235 6662447.695 6318391.382 6299053.301 3216468.605 4214072.973 5307271.296 5280710.287 5092024.051 4080160.321 4243681.948 9895931.028 10995153.69 12771042.28 11195062.58 12183025.37 4930324.487 10776487.56 10552359.65 3281361.801 7989538.463 6441291.851 7873695.327 7146001.237 1700495.934 1996717.789 12566306.4 11622529.07 11772954.23 13103923.46 11229772.94 11750036.24 13838099.83 13951499.95 15723421.32 10930904.47 4348661.97 5217781.105 4731264.168 4084062.261 3731126.47 12134028.91 13817762.01 14087308.86 6404361.442 7995418.098 10216983.76 11162208.78 10312784.05 7941670.396 8314418.726 phosphorylcholine 6686012482 6979244313 7171539090 6738032180 6791649739 14586729504 19583626367 19805184559 11420798237 13098447963 17535970304 18286641403 16958936102 10517279147 11529784761 15468697300 17940688183 16265017118 12489403888 12733228806 4521925019 4590734087 4556008267 4677946891 3995872678 10280767654 12715515918 12118866626 8382041512 10758449818 8325376807 10780390085 10074417400 4183095214 4963926962 14275821891 13537299747 13565080236 16096476132 12464982426 5193723685 5915588230 6398685959 2542029868 2425091576 2392027273 5275545732 3014597218 1264060032 1278858322 5321162375 6110319078 6452493840 6148964282 6657784482 8467471328 9880303967 9034053070 5663355358 7846035807 Pyridoxal 4496822.168 4153795.639 4181008.269 4518146.459 3786690.643 5370915.881 5352265.458 5550557.448 5595617.255 4127369.743 6487714.103 6592696.93 5794126.994 4860755.843 4786999.571 7672063.238 7620288.797 6142122.647 5967166.472 4087116.541 5220296.075 3716513.483 4485227.986 4890394.674 4947024.566 3917713.354 4424526.513 4863219.41 3484722.739 3701934.284 3587986.736 3679687.572 3411031.455 3052999.986 2792333.099 6324587.948 5531943.594 5970053.882 5662304.948 5147595.53 3642269.968 3137123.15 3224516.728 5035261.961 4478376.88 3218693.153 2590105.736 2049376.721 2155485.392 1441707.862 3864309.979 3323028.745 3043370.4 3410049.049 4413663.064 7349179.983 7369772.072 6142982.61 5024598.53 5141887.07 pyruvate 9450956.263 8791383.285 8129439.298 9584903.471 8120960.127 3213624.656 3923120.945 4293065.428 3023088.975 2139582.154 3835581.519 4606866.284 3626414.652 2296236.397 2128610.169 3758173.753 3937453.365 2939516.453 2816527.646 1669804.252 19857993.76 18364142.28 16570145.78 21984628.14 19841395.82 1765664.721 5850443.304 4889225.166 966306.6328 3011594.744 2791744.259 4632867.087 4038151.954 0 0 7936475.654 6355228.672 7974080.097 7262106.004 5078976.215 12334423.04 11975433.31 11538164.83 22999137.79 19236159.26 1685822.04 1105568.944 1177596.032 1207646.924 164028.4169 10841166.34 11254460.69 9954739.077 2207469.942 2525602.626 6105672.649 5538658.143 5610533.993 2560302.917 3157215.535 S-adenosylhomocysteine 7872597.818 8390605.061 8253149.125 7865338.413 7411903.889 7141306.125 9643978.257 9357018.973 5543740.991 5986852.79 8160512.583 8455674.569 7646358.491 4780071.074 5042784.967 7424918.87 7974062.145 7407381.592 5960218.696 5804824.059 10909216.74 11529211.07 11471889.6 11628877.57 9598136.444 8616198.084 10617239.6 8687448.13 7888413.976 8664785.584 6197530.543 8218467.863 7554853.068 4743335.102 4991340.09 11291204.7 10893934.73 10994345.11 11810704.17 9403165.483 9636812.56 10764799.72 10764763.75 10095738.12 9367408.623 4528176.102 6533013.613 5044187.53 3165306.588 3037544.625 9492312.121 10632250.65 10400916.54 7913923.748 8343755.772 8787915.132 10480262.77 9495988.307 7329720.703 9278269.961 S-adenosylmethionine 51016162.01 51677623.14 52131275.96 51667903.7 45484084.74 55660576.14 57757131.97 55878262.92 41232951.77 48195666.69 54513096.33 55796166.79 51041853.93 37527987.97 41421948.59 52774706.52 55093347.53 50817098.58 46532922.02 46568623.04 59513013.96 58019202.11 58302530.87 54842277.1 53002765.02 55434970.07 51908343.9 54886367.78 49781799.86 49905218.2 39149001.1 50939963.01 51103190.02 35837655.88 41595393.25 64164334.25 59346605.84 60899891.65 72579837.28 60587552.72 58270070.38 59015051.19 57055907.03 56763430.42 56992339.73 35371752.84 53714850.52 41799388.26 27098088.16 26125472.08 59448425.82 56750790.15 59542611.65 55463921.1 57045271.99 62033148.8 59583687.27 59986757.39 55416681.26 64292903.02 S-allylcysteine 363113.1773 440968.0708 2071263.695 1744206.539 1259097.892 443309.917 1634341.76 1774996.046 1520671.81 581006.2705 1393143.39 736134.0368 1820052.305 1521890.184 1411375.683 771349.7651 2051746.283 2374182.031 1054544.354 1143683.645 1417161.214 1378660.111 4658666.028 1719828.883 4168834.56 1238783.808 4200529.305 3710136.306 4205079.506 3015326.78 1652380.979 1009024.345 1897922.859 1803245.526 1869068.235 807219.4481 1457656.15 4565152.888 1135682.585 3482981.458 1002694.421 2342408.98 1304286.551 1775943.412 339307.4949 1326332.959 1221939.663 1270324.099 1051719.184 1043243.484 1000312.522 2396915.134 864179.9845 1559500.885 1316576.225 897628.8747 1281231.885 611368.389 2570609.049 3168057.998 sarcosine 1693027.572 1732564.433 1155381.481 1068947.448 1098315.608 1724022.47 1425910.153 1559707.686 1087536.649 1543339.327 1549143.646 2206060.755 1478160.517 1181279.026 1188216.896 2022388.621 1645624.757 1407385.952 1297412.304 1494752.35 1215740.235 1275707.152 1013055.492 1213452.636 976413.5388 1567846.056 1071731.293 1148216.233 940317.3604 1115733.866 1011283.856 1186441.616 1071097.364 1113976.561 928314.8852 1221897.563 1257931.565 1191104.984 1689488.185 1089309.043 1242172.807 1259386.811 1403424.63 1184756.976 1239154.871 1165251.416 1418433.231 1182948.843 991762.0317 1037041.755 1267491.05 1195460.259 1527602.845 1276395.52 1346310.755 1495887.12 1667668.992 1697389.693 1288567.989 1235875.056 sedoheptulose 7-phosphate 1572566.021 1502050.273 1182751.189 1298070.199 1144433.831 4220792.426 4696137.09 4390315.783 2792974.045 3787331.668 4367594.208 4848045.796 4260248.844 2849265.25 3116038.335 4298114.527 4254505.678 3895439.854 3572340.701 3743194.758 1086225.821 1161855.18 984011.7226 1095043.013 961555.3564 11963803.69 5001831.713 6095022.659 10792974.5 9650025.119 5298876.239 4939821.105 4470628.853 6857989.951 8262223.884 4069327.415 4683984.81 4687167.349 4321409.372 5492304.217 5788503.047 5896954.025 5706646.266 1484102.335 1370924.109 6303687.198 11295179.5 7036509.178 3174551.11 3471728.893 5864074.23 6453665.768 6134771.8 9417734.695 10687935.5 8929868.137 9829020.187 8744608.6 8920116.177 11024857.78 serine 18488577.85 16584628.42 19430356.13 19046654.35 16883516.76 30822517.15 31372715.48 34745759.43 33286071.25 30584477.25 32038512.98 31885593.57 33251628.94 33428009.39 32077596.29 29392504.86 29596666.81 32340450.9 32214071.67 30639029.21 5517208.721 4808262.189 5514045.093 5858260.141 5496608.083 12604523.58 6686726.71 9084397.436 15922722.46 9315963.009 8902132.539 6141611.963 7517750.291 18765815.04 16275125.58 7755968.382 7639106.499 7467604.734 7933600.821 7597754.606 7330001.969 6134353.555 7676160.267 5554052.173 4663412.742 24660753.06 22413896.37 22658271.09 20437755.36 20997642.93 7358883.205 6119009.008 7514334.137 15128242.87 15178687.68 11127267.69 9899403.958 9208335.21 16480578.19 14734733.69 sphinganine 3542893.721 3316858.942 3063474.234 3095136.751 2264941.184 13763955.56 13933534.14 14201480.11 13026176.03 14023732.47 22404446.56 17952207.17 14790006.19 12072496.88 13432480.31 34473921.31 33107797.5 18059266.3 31741738.42 19935145.38 3234388.416 3132027.461 2794806.627 2804188.612 2591870.679 10025092.61 9081081.467 11386049.58 9231404.572 9122278.925 15280614.11 14382796.02 15491443.75 13009819.52 14677892.49 22085695.5 20214448.22 14300943.8 13104931.68 16508692.67 6573122.934 5709313.285 6288494.352 3198681.523 2280259.445 7816913.31 6331491.825 7089444.195 5218472.315 4746845.279 8163029.028 6605127.056 7673621.648 13046164.52 9916440.79 22672905.48 16640612.62 20956959.2 24634401.95 22110842.94 Sphingosine 26255726.34 27267165.03 24031604.55 23557713.75 20302153.37 43531257.62 48712819.3 47467217.44 45210594.63 44072695.98 44954209.37 42942708.93 39012206.6 33887091.04 35638628.9 55490602.73 53752531.29 40280649.49 55419683.27 44074723.25 34237324.62 33339127.88 30392772.64 32758388.4 27971947.69 44156880.54 37828014.59 40223240.46 40897066.71 38469893.76 46873468.55 44342066.35 47856330.01 45067018.23 44618049.47 74930900.86 63204949.47 55241593.69 52650842.73 56439749.45 44704753.27 40857270.98 42391271.07 33003405.82 28439309.05 36572253.86 33479580.18 34730166.32 25412542.45 24936019.36 46869711.72 40169728.54 44494688.13 58104303.97 50917794.41 83535971.26 74890951.08 86117228.91 83865382.08 99986046.25 taurine 318707843.8 305119386.7 308804775.2 309063191.5 285837068.7 305095618.7 316838943.4 335757013.5 281098498.4 266963648.1 307520953.2 317756678.3 310798950 253640974 258918775.8 315367196.4 305517360.7 303924456.5 267816510.9 241714698.5 819339025.2 807424527.5 827441594.5 859933064.7 736987335 579698725 681258913.9 657220132.4 528898859.5 595325461.4 496564749.8 614504021.7 599194588 409410804.5 428179833.3 720374217.9 684161193.1 693328510.9 767828432 630073688.2 561776218.9 581032343.1 599918748.4 633391884.1 600766653 377953719.3 437019701 377685957.6 302131005.3 285260768.6 571872698.1 578110925.4 604521141.2 503058032.2 517595730 555442383.7 553983686 561495321.8 489292641.1 517142223.3 thiamine 40723635.55 40260777.44 40650543.33 39973472.11 38560309.92 47958735.62 51828358.17 51715994.34 38880715.75 38537928.28 48161461.94 51809335.5 47491465.49 33479574.34 35944934.41 47961475.11 48821932.74 43970963.5 40256083.46 34789419.37 36837033.73 38064114.55 38044564.01 41746509.97 39641125.98 42500470.81 45161114.65 44248353.76 38815665.59 42478595.9 31430687.25 36295382.47 33961886.14 27883204.63 30885654.5 48981094.09 45161033.05 44475998.69 50194210.52 40843727.69 33878753.75 34673470.95 32145490.27 36356748.88 33796001.62 27366185.87 37387974.85 27194222.21 18637443.45 16892037.85 33543574.52 34883249.54 35904165.38 37247825.78 42584611.42 43969044.73 45957341.76 41795328.09 36767880.83 38606468.9 threonine 279170774 270757914.7 292676025.9 284463466.2 251537317.6 367200367.7 392073847.8 436563678.4 340782513.5 335897990.2 403157007.9 392175499.9 405409626.7 333156369.2 335667479.4 375415531.1 380170479.5 407616915.8 356081513.5 328125176.2 145550852.7 137677418.2 156027640.1 164184640.1 137077463.3 210658285.3 169615270.8 184565577.2 221587197.7 185700794.8 146776133 143978619.5 148202028.1 201518510.3 196286705.5 196173220.2 186390799.8 187196207.9 195943035.2 172337736 146973828.2 143142986.7 154079852.6 130143648.4 122197204 222529220.2 245635737.8 223718655.2 169612910.6 170412343.9 152333283.2 143135964.7 155650260.2 215102888 222515956.8 195511630.3 184813377.3 173480111.2 212204259 204838934.1 tiglylcarnitine 1304192.572 957318.8884 834082.7051 840232.057 959077.7474 1583671.085 1581994.893 1841115.02 1015272.575 1261820.158 1528870.614 1722283.585 1285942.164 944910.3555 1091991.665 1502169.182 1238224.715 1493565.461 1020256.661 1048365.456 3071288.057 3101140.878 2704548.058 3395572.481 2264270.723 5132379.449 17602576.53 11337708.21 4861350.022 7972782.743 5300721.763 12100164.88 11223534.79 2268849.144 2970433.728 15682785.47 15500309.14 14990253.07 16977462.91 9844958.022 5814918.079 7004765.142 10800628.99 3174417.966 3461953.796 2473968.327 2787788.644 2257099.273 1783350.969 1402045.385 6163691.782 6822041.003 11300797.54 13083488.49 10532956.9 11569624.22 9878395.791 14890986.23 9682188.678 8800746.691 tryptophan 181417809.9 167907781.7 187098304 187598676.9 170066014 313887710.5 335822791.6 363171999.3 315201658.8 288463865.9 359421238.6 355618433.9 373016223.2 310696807.7 317370814.2 336306566.6 351546399.2 362447633.7 323427875.7 299248777.5 228983628.2 224933206.4 245692882 258622331.1 220603028.3 359740253.6 297263564.2 331804294.1 419717535 338250389.9 258880803.1 245845682.1 264446368.6 368282663.2 355644061.1 318523857.4 306988370.4 324595641.3 343478252.3 305032460.2 271281520.3 269274780.7 291751002.8 220545383.3 197154405.3 402105189.2 468382936.5 411112530.2 304933549.6 299616191.9 275196606.5 268917847.9 294544184.3 404415116.5 409417338.4 362186177.2 352112991.1 328793848.7 409292272.3 420879888.8 tyrosine 38428589.99 36542857.78 34594190.76 36677444.37 32270924.94 71538234.19 69725448.33 77284747.38 67093469.88 64113332.07 77782494.43 77301777.07 75899527.2 63691911.34 66398741.03 75058765.28 71926436.15 73487898.23 72887028.72 65785790.33 62026099.75 57326318.12 63042123.91 70441760.08 60831014.69 93839559.24 71293802.79 78838896.42 96791466.42 78111299.57 62237198.91 65782059.72 68285061.86 91889081 96956849.98 87999777.66 82380560.84 84262295.55 83248409.24 73808640.65 69773856.43 69260865.68 77234337.64 55853097.04 50516551.35 92147918.06 112258050.2 98001784.1 65852858.69 63464780.56 72357376.69 69593731.75 77646112.9 104740884.7 111082419 77197995.85 75153067.49 71319311.64 89334167.28 83397915.59 UMP 1616997.506 1843692.243 1959119.692 1864021.427 1768292.462 3376106.771 3260663.914 3064680.002 4914139.193 3865522.523 3411533.151 3056370.023 3478004.232 4125321.384 3701817.068 3174772.402 3267197.228 3195632.536 3230828.074 3346456.114 2766200.412 2826861.329 2703447.753 2689819.265 2587684.562 3673794.236 4899941.123 4777525.873 3282026.338 4069371.839 3116324.969 3789100.47 3818370.944 3588570.614 2832255.231 5460558.485 5317825.838 5489430.958 5942940.805 4862731.463 3214359.205 3442146.366 4076675.196 2745219.645 2434894.181 4326600.849 3480778.06 4145984.74 4789829.206 4834186.715 3679220.747 3762225.528 4126318.515 3632823.717 3958489.17 4581213.272 5008149.898 5011464.579 3731489.562 3824312.591 Uracil 1262588.542 1231471.682 951046.0921 896548.5408 952616.6305 1295947.993 1037818.719 1056192.256 1072124.763 1161838.491 1245853.406 1462350.632 1113240.197 992913.3508 966321.641 1450886.504 1306987.809 1111116.562 1053819.569 1022186.616 971068.0892 925774.8078 737067.4918 1013858.215 820410.196 1030385.499 944362.9031 1012351.595 898604.3548 1054854.779 970838.7375 1242646.098 1101595.842 891696.4159 846714.2602 1308688.896 1280346.312 1146235.736 1305006.6 1200276.57 993418.5416 862463.5426 997217.9646 988840.5394 956383.1741 849074.6783 1022127.805 907913.0938 729162.0677 696959.2026 910684.1455 809075.0534 991431.5147 988463.8025 1162385.4 1456035.464 1425246.299 1281804.542 981723.4674 909608.6059 Uric acid 189431424.7 167997064.6 166372955.9 185268092.1 181600544 259629210.2 230023669.5 229028903.6 242529994.1 206299709.5 199156442.2 225728742.6 186194950.4 167453590.7 181288575.4 207092119.2 185752499.7 148862974.9 209654115.8 151724867.2 289121251.5 270042240.7 289687369 334160285.2 344585834.5 211410999.2 282560565.2 254828531.5 183798454.4 229091394.5 263602333.5 342471693.1 294126155.3 222792267.3 236811651.9 319790289.1 303321360.3 304892548.9 277352871 276107976.2 260569449.6 284120804.8 281163065.1 303534694.6 251204444.9 138556117.5 154650363 137628527.8 95319515.14 74686687.81 258671295.2 284978572.3 278830684.3 259734401.2 328919034.6 210571321.6 213795645 197165710.8 173007834 161031441.8 uridine 237575.4645 122857.493 147769.6482 151072.311 108827.8407 277162.3502 179245.2222 270399.4149 371475.1925 249994.5536 317582.3748 317123.3702 245248.9986 403893.9228 317023.3126 583730.8999 449946.3175 518288.2251 455833.8296 288808.4535 197077.2823 175606.5088 217267.5314 306045.7375 125863.1124 375799.8071 456049.0388 507415.3001 373497.9392 366755.6892 358805.478 527929.0634 548822.0024 438603.9933 356455.3411 1143307.076 1000566.096 944034.7642 1044713.026 707429.5452 203030.3504 202565.1262 279007.6436 152674.466 132305.5779 426264.644 368131.7686 314926.2756 421938.0635 271764.0926 221487.5616 245058.3236 310651.8019 424943.9453 441975.2361 988977.6319 897887.8289 817874.5797 654108.9046 596207.7508 valine 9741240.21 8468881.419 8053746.651 8003967.698 7245384.885 16534717.02 15043642.92 16432897.18 15266901.54 14251952.07 17413365.58 18953843.54 17164401.92 14966909.54 14865844.29 18796586.22 17123686.39 16483719.66 16258472.26 14259831.32 11401174.97 10848889.35 10574953.46 13026010.63 9907757.26 20538077.08 12716203.2 15632874.96 20951998.7 15963778.2 12053507.78 11450693.02 11797456.05 18320177.76 18314801.45 16379861.99 14979147.67 14316338.76 17254930 13315568.93 13250788.82 12255317.94 14537480.19 10484637.53 9744130.382 22398382.11 26575674.97 22932850.65 15667694.44 15049833.43 13352621.25 12302066.08 14883824.93 21105533.6 22769310.08 21116207.67 19868915.99 18933966.7 21924613.09 21766231.7 xanthosine monophosphate 426333.703 386875.7141 399062.898 463536.2856 413217.5549 1056700.737 1264856.847 1184241.813 725068.6046 788918.0848 1316159.318 1182231.556 1258774.538 681337.4728 889942.4825 1055579.979 1274358.769 1183565.245 865708.9659 846442.1245 562080.8245 562759.5975 577216.8299 639780.2257 499523.4016 1144857.956 902151.7736 1001673.507 1109284.346 1156469.4 452458.9627 636918.1106 600615.3084 366297.7779 423624.9581 1080630.883 1129156.506 1122379.877 1164096.437 1007338.328 476143.8417 517729.3952 621837.9369 370107.0121 310128.1353 248249.7656 578021.9142 274911.7092 92025.34136 91929.825 509892.3423 523882.3761 510218.9136 537945.8378 656155.2231 758403.9 1038265.971 704206.8688 533754.0764 788198.779 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