#METABOLOMICS WORKBENCH xliu68_20200611_073356 DATATRACK_ID:2052 STUDY_ID:ST001441 ANALYSIS_ID:AN002408 PROJECT_ID:PR000991 VERSION 1 CREATED_ON August 6, 2020, 5:00 pm #PROJECT PR:PROJECT_TITLE SUCLA2 mutations cause global protein succinylation contributing to the PR:PROJECT_TITLE pathomechanism of a hereditary mitochondrial disease PR:PROJECT_SUMMARY Mitochondrial acyl-coenzyme A species are emerging as important sources of PR:PROJECT_SUMMARY protein modification and damage. Succinyl-CoA ligase (SCL) deficiency causes a PR:PROJECT_SUMMARY mitochondrial encephalomyopathy of unknown pathomechanism. Here, we show that PR:PROJECT_SUMMARY succinyl-CoA accumulates in cells derived from patients carrying recessive PR:PROJECT_SUMMARY mutations in the tricarboxylic acid cycle (TCA) gene succinyl-CoA ligase subunit PR:PROJECT_SUMMARY beta (SUCLA2) causing global protein hyper-succinylation. Using mass PR:PROJECT_SUMMARY spectrometry, we quantified nearly 1000 protein succinylation sites on 366 PR:PROJECT_SUMMARY proteins from patient-derived fibroblasts and myotubes. Interestingly, PR:PROJECT_SUMMARY hyper-succinylated proteins are distributed across cellular compartments, and PR:PROJECT_SUMMARY many are known targets of the (NAD+)-dependent desuccinylase SIRT5. To test the PR:PROJECT_SUMMARY contribution of hyper-succinylation to disease progression, we developed a PR:PROJECT_SUMMARY zebrafish model of the SCL deficiency, and find that SIRT5 gain-of-function PR:PROJECT_SUMMARY reduces global protein succinylation and improves survival. Thus, increased PR:PROJECT_SUMMARY succinyl-CoA levels contribute to the pathology of SCL deficiency through PR:PROJECT_SUMMARY post-translational modifications. PR:INSTITUTE North Carolina State University PR:LAST_NAME Liu PR:FIRST_NAME Xiaojing PR:ADDRESS Polk Hall, RM 128 PR:EMAIL xliu68@ncsu.edu PR:PHONE 9195154387 #STUDY ST:STUDY_TITLE Metabolomics of patient-derived fibroblasts ST:STUDY_SUMMARY 7 control fibroblasts samples and 7 patient-derived fibroblasts samples were ST:STUDY_SUMMARY collected at day 0 and day 5. Intracellular metabolites were extracted from ST:STUDY_SUMMARY cells cultured in 6 well plate while acyl-CoA and 5-methyltetrahydrofolate were ST:STUDY_SUMMARY extracted from cells cultured in 60 mm dish. ST:INSTITUTE North Carolina State University ST:LAST_NAME Liu ST:FIRST_NAME Xiaojing ST:ADDRESS Polk Hall, RM 128 ST:EMAIL xliu68@ncsu.edu ST:PHONE 9195154387 #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 - D0-control1 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control1.raw SUBJECT_SAMPLE_FACTORS - D0-control2 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control2.raw SUBJECT_SAMPLE_FACTORS - D0-control3 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control3.raw SUBJECT_SAMPLE_FACTORS - D0-control4 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control4.raw SUBJECT_SAMPLE_FACTORS - D0-control5 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control5.raw SUBJECT_SAMPLE_FACTORS - D0-control6 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control6.raw SUBJECT_SAMPLE_FACTORS - D0-control7 Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control7.raw SUBJECT_SAMPLE_FACTORS - D0-patient1 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient1.raw SUBJECT_SAMPLE_FACTORS - D0-patient2 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient2.raw SUBJECT_SAMPLE_FACTORS - D0-patient3 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient3.raw SUBJECT_SAMPLE_FACTORS - D0-patient4 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient4.raw SUBJECT_SAMPLE_FACTORS - D0-patient5 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient5.raw SUBJECT_SAMPLE_FACTORS - D0-patient6 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient6.raw SUBJECT_SAMPLE_FACTORS - D0-patient7 Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient7.raw SUBJECT_SAMPLE_FACTORS - D5-control1 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control1.raw SUBJECT_SAMPLE_FACTORS - D5-control2 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control2.raw SUBJECT_SAMPLE_FACTORS - D5-control3 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control3.raw SUBJECT_SAMPLE_FACTORS - D5-control4 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control4.raw SUBJECT_SAMPLE_FACTORS - D5-control5 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control5.raw SUBJECT_SAMPLE_FACTORS - D5-control6 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control6.raw SUBJECT_SAMPLE_FACTORS - D5-control7 Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control7.raw SUBJECT_SAMPLE_FACTORS - D5-patient1 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient1.raw SUBJECT_SAMPLE_FACTORS - D5-patient2 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient2.raw SUBJECT_SAMPLE_FACTORS - D5-patient3 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient3.raw SUBJECT_SAMPLE_FACTORS - D5-patient4 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient4.raw SUBJECT_SAMPLE_FACTORS - D5-patient5 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient5.raw SUBJECT_SAMPLE_FACTORS - D5-patient6 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient6.raw SUBJECT_SAMPLE_FACTORS - D5-patient7 Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient7.raw SUBJECT_SAMPLE_FACTORS - D0-control1_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control1_luna.raw SUBJECT_SAMPLE_FACTORS - D0-control2_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control2_luna.raw SUBJECT_SAMPLE_FACTORS - D0-control3_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control3_luna.raw SUBJECT_SAMPLE_FACTORS - D0-control4_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control4_luna.raw SUBJECT_SAMPLE_FACTORS - D0-control5_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control5_luna.raw SUBJECT_SAMPLE_FACTORS - D0-control6_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control6_luna.raw SUBJECT_SAMPLE_FACTORS - D0-control7_luna Sample Source:Control | Treatment Duration:Day0 RAW_FILE_NAME=D0-control7_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient1_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient1_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient2_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient2_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient3_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient3_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient4_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient4_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient5_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient5_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient6_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient6_luna.raw SUBJECT_SAMPLE_FACTORS - D0-patient7_luna Sample Source:Patient | Treatment Duration:Day0 RAW_FILE_NAME=D0-patient7_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control1_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control1_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control2_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control2_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control3_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control3_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control4_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control4_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control5_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control5_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control6_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control6_luna.raw SUBJECT_SAMPLE_FACTORS - D5-control7_luna Sample Source:Control | Treatment Duration:Day5 RAW_FILE_NAME=D5-control7_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient1_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient1_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient2_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient2_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient3_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient3_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient4_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient4_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient5_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient5_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient6_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient6_luna.raw SUBJECT_SAMPLE_FACTORS - D5-patient7_luna Sample Source:Patient | Treatment Duration:Day5 RAW_FILE_NAME=D5-patient7_luna.raw #COLLECTION CO:COLLECTION_SUMMARY 7 control fibroblasts samples and 7 patient-derived fibroblasts samples were CO:COLLECTION_SUMMARY collected at day 0 and day 5. Intracellular metabolites were extracted from CO:COLLECTION_SUMMARY cells cultured in 6 well plate while acyl-CoA and 5-methyltetrahydrofolate were CO:COLLECTION_SUMMARY extracted from cells cultured in 60 mm dish. Intracellular metabolites and CO:COLLECTION_SUMMARY acyl-CoA from cells were harvested as described previously using 80% CO:COLLECTION_SUMMARY methanol/water as solvent (PMID: 24410464, PMID: 24894601, PMID: 25795660) and CO:COLLECTION_SUMMARY dry pellets were stored in -80 °C freezer until ready for LC-MS analysis. For CO:COLLECTION_SUMMARY acyl-CoA and 5-methyltetrahydrofolate analysis, dry pellets were reconstituted CO:COLLECTION_SUMMARY into 30 μL of sample solvent (water containing 50 mM ammonium acetate), and 10 CO:COLLECTION_SUMMARY μL was injected into the LC-MS. For non-acyl-CoA polar metabolite analysis, CO:COLLECTION_SUMMARY pellets were reconstituted into 30 μL of sample solvent CO:COLLECTION_SUMMARY (water:methanol:acetonitrile, 2:1:1, v/v), and 3 μL was injected into the CO:COLLECTION_SUMMARY LC-MS. CO:SAMPLE_TYPE Cultured fibroblasts #TREATMENT TR:TREATMENT_SUMMARY Patient-derived fibroblasts cultured in standard culture conditions TR:TREATMENT_SUMMARY (proliferative condition) and cells cultured for 5 days in low-serum conditions TR:TREATMENT_SUMMARY (non-proliferative condition). Patients carry disease-causing mutations in TR:TREATMENT_SUMMARY SUCLA2. Controls are fibroblasts from age-matched patients with other TR:TREATMENT_SUMMARY mitochondrial diseases. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Intracellular metabolites and acyl-CoA from cells were harvested as described SP:SAMPLEPREP_SUMMARY previously using 80% methanol/water as solvent (PMID: 24410464, PMID: 24894601, SP:SAMPLEPREP_SUMMARY PMID: 25795660) and dry pellets were stored in -80 °C freezer until ready for SP:SAMPLEPREP_SUMMARY LC-MS analysis. For acyl-CoA and 5-methyltetrahydrofolate analysis, dry pellets SP:SAMPLEPREP_SUMMARY were reconstituted into 30 μL of sample solvent (water containing 50 mM SP:SAMPLEPREP_SUMMARY ammonium acetate), and 10 μL was injected into the LC-MS. For non-acyl-CoA SP:SAMPLEPREP_SUMMARY polar metabolite analysis, pellets were reconstituted into 30 μL of sample SP:SAMPLEPREP_SUMMARY solvent (water:methanol:acetonitrile, 2:1:1, v/v), and 3 μL was injected into SP:SAMPLEPREP_SUMMARY the LC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC method is for general metabolomics analysis. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters Xbridge amide (100 × 2.1 mm i.d., 3.5 µm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS It was operated in the full-scan mode with the resolution set at 70 000 (at m/z MS:MS_COMMENTS 200).LC-MS data were analyzed using Sieve 2.0 (Thermo Scientific), and the MS:MS_COMMENTS integrated area under metabolite peak was used to compare the relative abundance MS:MS_COMMENTS of each metabolite in different samples in the same batch. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples D0-patient5 D0-patient4 D0-patient7 D0-patient3 D0-patient6 D0-patient1 D0-patient2 D0-control1 D0-control3 D0-control5 D0-control2 D0-control4 D0-control6 D0-control7 D5-patient5 D5-patient4 D5-patient7 D5-patient3 D5-patient6 D5-patient1 D5-patient2 D5-control1 D5-control3 D5-control5 D5-control2 D5-control4 D5-control6 D5-control7 Factors Sample Source:Patient | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Control | Treatment Duration:Day0 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Patient | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Sample Source:Control | Treatment Duration:Day5 Hypotaurine 872687.946 2204140.332 2950411.197 2483654.481 2522853.573 4495168.122 1744652.196 3890641.443 4108405.695 2292900.078 2238919.509 2365350.555 2234873.865 2008852.896 2594533.194 2575633.665 2424033.087 5157418.122 8615615.361 7458232.521 345354.636 6664379.055 9081686.571 2026074.162 7324137.648 7767600.477 7068230.331 3562241.238 Taurine 434052228.6 703657042.4 1193799949 808613032.1 798770061.4 964506282.2 724857326.1 1126431348 1156822991 703995386.1 746239374 836381806.3 642190996.3 674871499.4 418214772.4 635744081.1 984184210 653236212.7 1006995027 521080403.8 184588250.4 921785763.2 925289333.7 308228700.3 675724260.3 828677246.8 637959311 338912882.2 Glycerol 3-phosphate 4925481.498 5855014.743 10094622.01 9994798.068 6603405.753 9682451.091 7458267.507 7142166.162 11301463.22 18835778.11 5077473.039 5700669.297 6464477.583 7171247.838 5098823.325 10984241.76 5849361.192 5398687.608 10827030.9 7256993.88 1648224.882 10014039.71 12520485.26 15786312.04 5188630.575 5697960.582 6689830.482 5555534.511 O-Phospho-L-serine 6724153.371 7727584.569 5193175.404 14181968.95 14993517.26 9484572.939 7866210.804 8553144.897 13366994.65 20315868.34 9540262.521 11414680.88 11255532.09 10912776.47 6606091.128 11441777.75 4765076.871 16689719.01 9601509.186 4840832.709 3122545.122 23860261.14 26798642.41 18575888.43 10845993.53 12195517.77 10613111 7165820.415 L-erythrulose 108428524.7 134847089.7 104579627.5 109547755.9 102716929 85728977.33 105404098.4 120621925.9 129231908.7 106995181.6 132310491.1 126017210.3 120690665.3 118689303.9 161364753.5 126906571.9 161913354.4 125146906.9 125754953.8 109274294.5 122777324.6 140025671.2 134432142.2 119735845.5 148001530.7 150674735 109513806.4 122641644.7 L-threonate 253919461.9 285006265.1 268496986.5 235630058.1 228255152.7 219113386.1 187225496.5 305008021.5 358867479.8 268010166.7 321212525.6 328020218.3 272760491.3 240788572.2 55642811.5 42705153.87 51688454.3 28171597.37 31505737.64 45778130.6 32755636.08 47279185.67 51439060.66 35303942.79 51175676.95 51471441.38 37477732.33 31007089.34 allantoate 3299915.592 3977447.346 2847528.48 2753132.61 2617074.744 1904688.585 2455604.535 3296540.85 3754165.587 2837094.939 3856002.804 3439900.638 3042880.134 2977344.402 288312.618 67010.454 230394.771 101959.092 31703.97 106743.672 187191.939 54757.278 135576.552 141704.466 234829.398 161986.818 82722.387 185913.138 D-Erythrose 4-phosphate 87076.836 168739.104 305567.103 261223.941 195094.008 399545.331 158593.641 254680.662 364532.019 310951.239 138910.185 136418.457 209542.041 97822.944 50905.503 98457.735 29275.221 43891.95 138927.402 466338.222 62934.183 19016.829 17023.05 50306.139 151566.912 172546.023 129713.922 109441.89 N-phosphocreatinate 25822663.8 40303570.18 61313069.12 25830333.39 47760882.45 53716790.5 23171864.8 37921278.9 39713135.7 45482333.57 43495063.03 49987784.82 53320871.95 40009309.43 13170139.13 32975125.25 25250209.23 11005372.05 24039316.01 18574235.85 4756426.377 27201060.83 35730422.36 16993725.77 16708294.42 21350124.26 19209416.75 21415547.26 3-methyl-2-oxobutanoate 33017493.79 59226334.35 46930709.69 69549867.31 39423064.79 51148236.29 13810283.66 41577607.7 63530475.98 34478623.82 53839893.29 42439340.48 72735771.85 17065071.76 71933275.48 42096504.06 78806812.01 58980111.77 56204609.81 43296754.76 22185046.41 60820438.42 81112887.58 19600487.96 71998954.84 71904979.51 39689205.37 23275762.85 beta-hydroxy-beta-methylbutyrate 6103889.178 8898007.854 6290842.053 7787173.944 8108981.322 7652396.196 6286108.782 6653680.338 7730565.636 5910415.344 7717619.586 7544248.602 8642067.132 7982881.128 1757177.766 1344639.639 1836169.314 1658659.602 1397174.88 2827850.4 1628234.844 2040090.084 4745930.499 1993668.837 1722836.247 2971084.743 1695878.256 1820101.065 Xanthine 146884335.9 140235902 162708788.7 146578534.6 157778708 136480271.3 113665568.4 161108375 151918873.6 147251144.6 156474988.2 154014049.4 156362976.5 145356616.7 8506156.179 8653535.112 9537787.644 9809098.665 11115435.44 8480984.631 9596508.732 7937993.466 9102839.304 9256933.341 8570438.373 8311817.463 7980747.057 8990547.138 (S)-dihydroorotate 60775.713 37838.898 45756.876 29209.098 63409.785 49649.556 64440.54 76935.393 126350.814 88640.034 41571.972 58966.644 67893.138 41809.269 56909.346 56497.566 71816.673 51180.672 63411.906 66604.209 68815.245 70223.751 88380.903 73186.479 72014.169 69147.969 65309.703 63828.444 7,9-dihydro-1H-purine-2688(3H)-trione 23350231.84 29070391.82 38020598.57 22681668.8 28316823.61 25671489.38 20298965.47 34323833.16 43051625.68 20869334.75 37893082.88 30946604.56 19482780.27 15783280.17 1021028.442 2560225.926 4486994.022 2554351.488 3175605.519 2848747.134 376875.627 5637054.558 4278336.576 1101473.859 1901462.202 2928133.092 2827308.072 1699835.553 N-Carbamoyl-L-aspartate 34806.024 205204.674 75510.636 1000 1000 42223.32 33727.698 213197.67 318750.048 98576.598 83883.252 44205.894 42459.186 167972.502 1000 1000 1000 1000 1000 1000 1000 51798.636 103356.162 111288.177 40520.502 55910.958 30177.282 92667.864 5-Hydroxyisourate 1482045.417 2436976.557 2244185.364 1634355.345 2283885.891 1119665.829 2147268.111 2296491.819 2760274.917 1499072.823 2845049.706 2011651.842 1639572.339 1480695.285 1000 1000 1000 1869.12 5812.62 1000 6212.616 1000 3087 1086.036 10374.156 5133.285 5358.534 4960.545 (R)-2-hydroxy-4-methylpentanoate 4551166.662 4821706.965 4303803.759 4514247.63 4097180.184 4771723.53 3503722.764 4030471.95 4579865.199 3573971.388 4878756.156 4658286.75 4563656.148 4024314.741 3918318.066 2167445.943 2533142.535 2829365.793 1914670.773 2630270.064 2361717.639 2946305.463 2851831.908 2242844.685 2415914.319 3453673.104 2745088.854 3089624.238 4-nitrophenolate 5115578.499 3168315.72 3681859.665 3381570.213 4627198.407 6835353.609 3791313.999 5343343.092 4953122.568 5746436.295 4517049.192 7387452.546 3881803.623 3500465.829 2997728.913 3282028.308 2655661.383 3083090.544 2938818.837 9787344.24 3265845.321 4034253.507 3706800.075 3767834.289 3099879.195 2908633.128 3457148.694 3053760.894 2-methylglutaconic acid 131207524.8 168705757.3 129895553.1 136080671.2 127889477 105426702.5 135171314.9 146082624.2 157435962.2 131039885.4 163326041.7 152856871.3 147962113.3 152630330.1 202234165.5 155200293.9 196987349.3 156614981.4 155613158.2 136371901.2 157632116.1 167313715.6 163981381.5 150630677.2 182604451.8 186410611.8 136651636.1 153074768.6 adipic acid 3581417.793 951931.902 1455582.678 1448133.96 1420395.603 3589009.308 1203383.601 2548801.821 2383730.7 2908037.337 2921759.523 2307830.904 981841.224 1561384.53 871852.611 1478204.616 2311350.324 599673.318 1272447.96 581578.446 915175.419 1642659.921 1895867.574 868985.52 942902.79 797034.42 2060580.102 2502493.836 lysine 462837700.2 736214483.8 497247013 602275949 511917844 507596200.7 499597567.4 665151504.7 801090782.5 611459942.6 623427795.3 623879024.8 686361285.4 643751850.7 885595159.5 619058324 835804250.8 621980176.5 690744848.5 626242468.6 634679703.1 744240621.8 744572894 602709741.5 863322172.8 887220198.5 597115975.6 668545995.2 2-aminomuconate 838695.708 820433.385 980727.663 705276.693 751934.415 1350640.353 449140.107 443920.182 472810.545 444121.986 789758.109 646294.323 775001.751 434162.472 307710.699 524876.523 329987.268 424276.71 393380.193 872512.44 150684.093 258140.502 158698.536 261812.745 219001.479 240906.495 301257.72 264619.386 2-oxoadipate 79567.563 131229.117 192275.718 156656.421 218091.864 250605.69 422293.17 59334.861 58967.4 187969.365 381120.213 165565.947 293560.758 339819.018 132809.415 334746.036 381005.067 343853.277 479202.795 429786.348 425207.538 33751.32 270512.424 324978.381 182334.522 228333.825 197992.113 324197.067 arginine 209223837.2 311130718.4 227613067.8 243583499.5 217406223.2 188441346.7 199090373.1 261555813.9 312678008.5 238629238 300640902.2 279288294.9 285252667.8 256283093.8 371185021.5 270727545.1 373631802.3 276005304.5 300537473.5 252021357.9 267311212.6 320480941.9 308541007.7 256148053.4 362177973.4 366736696.3 240715392.9 275405123.6 oxalatosuccinate 192810.705 1000 1000 1000 1000 1000 1000 1000 1000 1000 1730090.604 1000 1000 17458.74 1000 1000 337556.508 1000 1000 1000 1000 1000 1000 1000 1000 1000 81708.675 94308.666 D-Glucosamine 6-phosphate 1873496.187 1554267.321 1350531.891 1538489.553 1695689.994 2484829.851 889065.855 1465256.04 2283246.627 1694386.047 1407540.213 1105712.226 1552674.711 861096.114 909903.096 1176005.166 660581.169 507765.324 797669.202 1820179.86 461935.188 966698.241 1274275.602 738607.998 1015300.302 859271.409 998068.503 510310.431 6-Phosphogluconic acid 330343.506 241368.987 315594.258 603300.702 266598.591 1168033.089 138340.311 578650.269 1219601.37 793466.121 245251.137 984017.025 574425.732 116905.23 166770.429 274560.276 72274.488 59220.453 80434.719 353647.011 16389.36 239254.5 244584.882 242730.312 83605.524 314165.754 334316.532 53385.135 4-hydroxybenzoate/Gentisate aldehyde 1870083.351 2171365.983 1985588.757 1941163.773 2032789.674 2351412.009 1746271.005 1729800.432 1773752.256 1847542.971 2542223.607 3356472.27 2615448.96 2461595.367 1067140.803 1376063.973 1370381.715 1060353.111 1225285.533 1206481.944 1900051.152 1396919.136 1516645.452 1217562.525 1222912.857 1462527.882 2916830.046 1626623.652 3-hydroxyanthranilate 4397068.341 2965345.626 3499011.768 4235385.645 4277067.033 5628718.278 5105026.161 2978232.369 3437838.3 3281433.57 3963857.439 3426241.047 2949513.069 3129450.579 3756738.372 3683766.225 3849021.06 3565583.271 3409245.243 4820453.322 3857503.287 3319819.842 3137038.122 4139261.508 3902754.459 3669875.829 5601712.785 3783373.422 quinolinate 2705938.062 2212951.368 2680483.437 2045268.708 1841231.526 1263080.226 1777068.87 2521717.791 2661401.163 2895592.887 3394338.786 2609621.256 2434312.017 2234627.883 117518.343 102561.711 182733.39 100336.986 142929.381 71576.454 204049.128 125738.04 54972.054 207497.604 108800.955 99185.49 115971.696 138917.994 2-acetamido-5-oxopentanoate 1485122.811 700736.031 1529129.331 1489752.666 1440204.594 3464483.337 728954.544 1314612.318 1902785.187 1205295.444 2097973.701 1928972.808 1194426.945 529074.249 1058243.223 1561765.245 1531264.551 1488567.552 1261779.297 3836949.762 1070054.904 1941759.414 2003884.146 921462.924 1270080.522 1427607.843 1376620.125 910430.58 N-acetyl-L-glutamate 27908749.1 10313148.17 13138777.78 10991101.8 14220847.75 20217665.42 4302067.8 8307813.327 9138904.278 10265629.77 17521782.1 8420374.59 8781565.674 4148201.067 8779923.852 8371861.917 6879681.6 6587645.715 7170424.998 9831811.953 2292561.807 7286709.114 9608123.376 4291354.347 7432548.231 6822212.58 5722236.171 5575677.366 L-cystathionine 17984437.14 17289952.32 15960550.06 32779805.49 15469747.57 31711985.35 4011836.748 22957936.38 45137845.38 13272631.34 17179409.64 14644349.84 18008172.74 5944013.787 13379477.02 6110985.921 2694171.996 7809500.301 4630565.055 27013610.48 845836.293 13400672.71 24990680.98 3823492.905 10564760.72 15121684.42 7101386.622 3711824.748 Sedoheptulose 7-phosphate 396642.606 1048938.525 1234583.118 773121.333 930416.007 2066694.165 2809556.637 1252330.176 1583146.443 1689609.462 702562.269 854949.522 1304380.107 523290.045 987607.32 1835682.936 714973.653 2150200.83 2888807.391 12161279.82 1113118.758 1921638.264 726971.787 1025733.204 2008849.965 5700761.94 2683788.144 2262827.853 4-pyridoxate 3149591.667 3358206.087 3096805.824 2831953.254 3011833.701 2378847.984 2400690.771 3572816.475 3861497.961 3273643.035 4274800.302 4144160.544 3226842.696 3285081.453 688274.313 566735.136 574225.461 583685.286 563452.935 521777.937 704745.885 546913.848 731832.297 769160.871 771901.74 716185.338 795093.297 576710.553 fructoseglycine 184781131.7 157919592.7 210881028 190708768.2 211930604.1 209881599.1 106503474.4 209226243.7 310144470.1 169367113.7 261281393.3 306251184.4 207775459 110524675.2 167044546.3 178126829.7 191883337.5 198661038.5 125032579.2 223540053.8 97404384.7 252629253.9 261768920.1 134911702.2 190360602.7 210227830.4 182666244.1 187633723.1 nonanoate 201492033.9 50083931.22 59623406.35 50897118.26 75359571.67 79960741.68 78518204.52 88421555.01 89973496.26 82914216.98 60587201 86441300.55 65197134.78 70389547.18 55659135.01 62909732.94 55415552.43 65636131.94 50297797.98 97886430.78 45227157.03 70242964.08 59047055.13 64673995.86 56340878.04 58167015.74 144107096 468234670.6 (4-hydroxy-3-methoxyphenyl)acetaldehyde 1037745.039 2255629.293 1267257.69 1577063.877 1650515.217 1407096.264 5120578.533 1466433.888 1687502.934 1260765.345 1819012.914 1775473.62 2770455.372 7139310.798 254911.527 266024.565 371881.092 237479.016 283546.149 1859747.286 2155440.252 265634.865 327750.573 245899.959 333570.477 351532.974 1389849.717 2510287.44 4-hydroperoxy-2-nonenal 8982959.634 4285615.116 9249251.127 4728602.745 5109704.472 4110729.387 4004742.996 6519937.509 8698077.243 5646063.114 8695643.355 8507931.216 4462195.803 4093303.977 4039557.3 3377939.682 5012626.983 3138602.523 4163604.687 4423211.565 3484307.952 3786730.332 4576325.211 3851979.177 4148693.139 5223855.006 5553910.269 7908553.854 Azelaic acid 10496901.29 3480593.967 6475606.617 5878805.214 9939626.43 5798744.529 4650908.43 7731114.63 8380188.81 11954952.81 9091725.729 7611376.068 4418860.8 4140103.959 2024839.008 4257581.469 2305976.658 2115503.331 4527679.692 2451983.136 2919612.822 3628084.149 4293358.695 3333544.611 2766290.664 2311956.588 4665696.393 9059323.362 (R)-Pantothenate 663937981.1 885857372.7 686537083.1 706486334.8 735772479 600455593 535418687.6 753324869.3 965940529.6 610753184.2 771840921 822301120.3 785522524.4 620005180.8 876953865.4 681529032.8 801299485.4 742810107.8 775699612.9 570776677.6 584602567.2 743520807.5 785480186.7 538253635.3 719384002 829185217.4 493094993.9 656270419.9 carnosine 9636501.63 16780561.86 13168893.87 13683582.73 11412532.58 13095255.83 12893148.11 15528175.11 16309167.2 13482830.63 12702477.9 11088025.7 13850129.31 14298766.94 1232467.035 1228551.645 1681037.58 1301212.566 2299180.92 1541561.559 1240538.841 1697396.016 2084975.883 1177187.262 1374286.764 1441591.773 1320499.941 1115731.902 gama-L-glutamyl-L-alpha-aminobutyrate 266425.845 536046.222 653849.181 570997.044 639229.524 646043.208 398761.926 404095.629 728642.655 842690.478 554387.43 520834.023 1154156.289 443797.179 200995.668 527420.193 379472.517 414032.697 269301.918 317261.145 112325.499 262269.471 546580.368 289575.813 327947.52 410885.133 488933.928 414724.341 Galactosylglycerol 327002.184 349545.006 328446.3 270594.801 234872.925 142024.269 263259.015 389750.379 395787.642 347847.141 440186.832 395144.988 269499.375 387812.715 1000 26150.118 1000 21251.538 35257.92 1000 54367.377 1000 26584.344 23998.923 1000 1000 24975.171 1000 S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine 1001777.892 1918949.862 1212406.425 1431233.616 1212706.005 1444888.782 1406472.894 1327514.163 1573182.21 1908253.92 905261.172 1108232.673 1378061.805 1653134.493 746154.273 587939.976 501725.556 998777.667 1188813.978 1084117.794 741088.926 697018.893 1306763.493 686807.118 743688.525 526061.118 864677.007 444797.478 N-acetyl-seryl-aspartate 888500.766 2325746.394 2262660.753 1661171.394 1965593.13 2815014.693 610449.591 2015847.429 2962503.456 1970825.34 1515821.919 1798245.225 2351320.584 791360.643 607807.101 1275541.014 928499.376 824046.453 880555.011 1443302.502 369024.993 1301430.66 2082902.319 859440.933 1486275.966 1472276.514 1279285.173 857899.896 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 22693735.12 21250164.54 28957387.79 15238730.82 20773538.36 13026448.34 16063141.43 13434368.59 14677460.11 13647330.24 43647349.03 25578461.34 14308132.45 23902618.36 30280064.43 24279111.39 28158875.55 23884404.57 22166637.96 16997904.87 23813589.51 20379930.4 16890987.57 22411689.14 21337266.43 22277129.09 15317153.29 20927975.56 2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate 10926.747 202807.092 166340.115 73208.808 150057.09 164526.054 52720.668 46969.641 20189.988 35321.949 54432.636 38971.47 38189.43 23853.492 1000 1000 12682.683 1000 1000 1000 1000 1000 1000 11336.598 1000 1000 1000 11893.986 Perillic acid 74437.869 132347.403 80354.46 151301.844 110745.189 111717.309 66791.781 132801.876 122867.694 196822.284 214743.816 157731.36 92616.639 132395.781 165481.074 80192.907 105191.601 82854.288 76868.451 116614.599 116275.347 120917.574 77307.648 93971.259 114054.18 182199.297 106984.065 89032.974 trans-4,5-epoxy-2(E)-decenal 1411743.039 1611010.41 1622442.429 1337192.55 734952.111 985900.266 780399.72 904660.512 1167288.177 906832.569 1870131.219 1371165.366 878885.445 822922.563 1230914.169 279593.874 978691.728 387979.02 351979.377 386849.664 370874.136 959745.084 313066.356 381971.598 751253.145 1283328.573 326521.599 388747.608 caprate 62334515.88 48623898.82 80267619.94 58930329.67 71976513.84 110538732.9 89438100.76 79255181.78 71521905.68 67553618.75 68457560.97 68968584.61 62346416.86 70556262.44 55329579.61 62794540.57 55469134.79 68585687.16 47882519.87 125056014.5 48592910.67 72083990.75 67698977.37 72339124.29 58732888.34 54079729.62 47880372.15 61517713.34 w-hydroxydecanoicacid 1505240.196 556633.266 1141646.205 761927.397 645921.822 993405.684 833893.296 1200440.298 764289.66 872904.549 1375255.368 1019442.723 721984.767 983766.336 385311.78 632659.437 830615.13 660347.004 280433.073 430212.675 268621.029 453715.167 718351.155 359938.746 541291.611 522320.145 612612.33 1042222.935 kynurenate 1047884.22 1450565.775 1134320.052 1271822.346 1361505.24 1138648.095 1069049.496 1052868.579 1134714.885 927763.74 1257790.851 1177610.097 1401187.146 1331919.999 227296.443 113229.285 236468.382 105603.759 111542.367 111281.436 177267.27 272813.07 270134.052 247110.159 218272.53 205011.705 129287.472 133346.703 N(omega)-(L-Arginino)succinate 352600.245 297457.236 482519.88 301322.388 197696.184 770181.771 87518.427 1817010.057 2534822.736 1618909.344 1430313.936 1580337.669 1262763.174 605294.136 265135.956 164505.534 202224.921 69611.664 53059.944 456408.369 1000 1019207.715 1826645.556 577411.128 1660793.664 1527317.367 1140030.942 930093.297 L-tryptophan 792649056.5 1153337741 934129613 958793664.1 893918458.4 785279505.3 762372318.2 1055218531 1238710240 974333310.6 1159091868 1117385876 1215224269 924979002.6 1131919157 913232724.8 1161203574 937511173 991012252.6 832051603.3 849339967.2 1006741255 1053494081 784856406.9 1103230259 1126183533 881825441.6 930910855.5 5-Methoxyindoleacetate 5764987.908 8325424.374 6357171.192 5618971.137 6163307.757 5065554.774 4511959.95 7130230.227 8757542.859 5824956.675 8878298.964 8658983.001 7429878.339 6498213.756 405147.042 375822.696 469748.256 351963.66 368588.718 358138.695 327481.392 404573.748 466819.122 305706.903 492251.88 474452.811 367910.826 350836.167 Glycyl-phenylalanine 107231.442 235602.711 154058.181 173608.398 122310.585 102182.319 128489.679 140177.946 120042.885 1087494.276 168579 203868.774 328699.227 203268.723 58796.244 49129.059 30441.528 40918.176 181193.361 74393.814 95810.664 62597.262 131647.503 170567.22 215569.974 163513.209 97892.145 85445.223 laurate 45232894.64 33114208.26 55861235.22 46308552.26 29224634.29 71115955.2 58185919.7 84464891.71 43830012.31 40621653.13 57269507.1 47942986.77 48516782.4 55272400.12 38175098.93 48080626.5 37047538.98 59981636.51 35464679.55 63549137.3 40340145.26 45941983.09 52960495.17 45940790.03 38084085.62 37773470.01 42247021.47 47178743.91 omega hydroxy dodecanoate (n-C12:0) 884585.493 305453.364 662017.767 511081.815 295665.303 754577.895 718043.796 1761617.139 797440.758 1136595.903 1447309.062 1154255.439 561756.306 699835.617 603145.209 910620.189 1141179.162 637952.577 538580.88 610343.967 379018.353 986477.457 1528159.308 560042.55 1338937.044 1127785.149 779997.642 590372.499 Dodecanedioic acid 2471246.886 306953.781 728073.258 432692.106 518122.494 607934.793 648689.055 1122923.247 933717.348 887438.313 1729386.495 1166404.185 543487.551 573617.889 477507.759 418118.598 709516.209 402585.417 567196.485 415209.744 329631.18 542054.622 605797.32 436531.584 428594.277 437496.537 1082288.463 1567345.947 fructosyllysine 37748130.2 19486396.45 44200117.11 18443253.77 33710168.69 39280934.84 27442129.41 24030902.23 32222935.81 21644823.11 63450593.02 62872501.24 29099572.52 26082022.79 25092797.4 26605892.28 26698374.61 29051443.47 20180035.61 38052247.57 21676806.8 37244191.73 31599484.7 27373698.44 26407105.41 25420691.57 23236776.3 32413944.21 tetradecenoate (n-C14:1) 3557332.674 2115724.923 4888517.508 4193618.331 3175648.311 4207021.068 3368312.367 3332165.034 4113677.202 4232118.057 5431560.027 4894651.848 3502914.975 2407916.928 5550155.754 3953824.791 5815056.573 4647135.567 6655353.609 4400331.591 1696281.207 6706557.537 18123650.3 5017242.078 5658431.151 5339613.258 4822295.499 3325607.766 myristate 48757345.72 33093595.67 54892220.71 42662778.36 48392412.91 56590491.14 50276583.22 56572429.54 54252632.48 69973204.84 62349463.17 51178788.15 36919307.06 36345717.56 33075649.94 34608520.65 38735165.29 33323659.87 53779156.52 57465772.89 34174826.39 45619809.02 55860444.27 52470718.49 34001548.98 34241036.98 41386315.77 47319962.97 6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate 222851.631 226210.674 292158.024 239680.164 178964.172 269442.18 229678.281 478288.584 286483.05 441664.968 288501.696 319238.811 258735.915 245132.682 51399.06 149344.161 134124.336 72723.045 129867.501 42377.094 77665.431 108025.482 70223.985 77023.23 104108.766 75315.714 79305.603 152114.088 omega hydroxy tetradecanoate (n-C14:0) 788437.992 678279.897 1258853.544 809505.849 587550.657 1079253.777 881039.562 1172240.028 1203988.341 1267622.967 2020346.613 1227318.927 975230.766 1027333.941 859179.852 736182.945 1554827.04 882199.122 1268261.451 1069178.928 391585.464 1305025.518 2984031.372 891826.149 1304930.535 1356305.703 786707.226 701313.666 3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dihydroxy-tetradec-8Z-enoate 4454092.302 1092045.843 3850330.671 1016072.373 1098951.087 985192.455 1141348.965 4174460.469 4082589.363 3830906.136 6070335.741 4322737.758 1084636.95 1286280.396 214525.272 319744.482 555400.548 185471.172 411205.659 188213.952 278518.329 450748.731 407034.606 239442.48 337122.672 252737.877 481405.95 628743.399 pentadecanoate 18491969.17 8859992.457 17799896.47 14908487.02 17749979.93 13976297.78 16061743.25 15958026.93 16188664.75 17500412.08 21893495.88 18966463.22 12681308.26 13515338.77 9939781.692 11445812.27 13009536.76 11045752 12208869.65 12675339.16 10563560.18 12163747.87 13288974.14 13143026.96 11545564.84 10902515.1 13783217.69 15328628.62 palmitoleate 22997349.82 18632857.1 18160342.02 32576226.46 25728190.58 16353441.85 31725214.84 22633539.46 24269333.45 36987227.11 35384141.58 26331079.97 22061424.33 26633436.79 7552249.347 11098988.41 16234254.65 12704207.42 30445108.08 7552196.172 7175835.135 15624403.86 27138507.57 32133085.96 13017132.11 9368068.278 13857443.33 15604890.02 palmitate 721771713.8 529811421 693676288 492483393.9 775912353.8 701853768.1 709640923.1 648098257.4 627072623.4 956918705.8 896507511.7 797070109.7 523519224.8 573147749.5 496503994.8 436600138.2 490297199.6 457263496 546733690.3 689143677.2 535955143.6 573172025.7 496822194.1 680750797.1 557273626.6 560819967.7 491577346.9 582473371.8 omega hydroxy hexadecanoate (n-C16:0) 9579243.051 7405509.555 11634768.44 12116207.04 7568268.801 13758306.83 14868806.18 15487236.3 11245341.41 18693624.59 23654715.17 10853977.37 12762443.67 15917611.49 7078718.544 9916991.634 22305096.95 17757698.64 15964345.35 7337942.817 5588536.227 10108887.3 16660284.37 12282526.58 11646074.27 8555351.763 7055616.747 6556266.933 11'-Carboxy-alpha-chromanol 9298737.783 2727301.485 9795313.992 3115612.83 2674055.388 2848615.188 1360877.973 10210916.24 15908913.43 10164772.5 15596732.33 12844815.53 3409464.633 2150949.972 1820368.737 1281039.288 2180513.454 1114654.128 1439492.439 1452688.845 1615165.119 2802607.122 3738587.124 1642744.314 3062413.737 3011830.254 1327524.561 1348268.385 Hexadecanedioic acid 1980446.022 1771807.323 2111316.123 2197763.43 1617006.201 2350557.387 2481678.99 2023200.723 1645373.745 2691477.933 4198131.675 2042848.128 2471319.066 2755058.97 697888.92 1450052.028 2983485.87 1829148.015 1392969.348 768138.354 918789.3 1093611.024 1448791.464 1142417.646 1131669.318 1057355.427 881484.909 1017015.273 margarate 11578552.66 6873433.47 9986551.764 8588864.148 12524053.31 8471525.166 11344297.82 9633373.563 8896852.404 14729920.42 16365520.71 11899506.73 7613328.627 9108083.829 5252766.801 5424305.496 8172530.814 6463418.553 9406255.089 6064136.337 10180345.94 7343587.842 6758881.563 10956235.76 6759272.478 6067456.596 9402434.889 9723512.562 stearate 307894978.4 218763405.5 302389067 154534121.2 282919961.1 231173084.7 281654553.2 213609614.2 221149100 479744094.9 460204487.6 376253518 157032524.2 202120846.1 206588355 138688503.5 206096266.9 171487089.9 235642705.4 175646015.5 239200150.7 223122497.3 167325193.4 298269086.4 271507574.5 243459851.8 175407569 210549297.8 12,13-epoxy-9-hydroperoxy-10E-octadecenoate 409268.811 267811.962 360445.194 236061.834 235157.148 337807.929 322642.332 406530.078 298245.258 508099.905 1007322.462 466599.036 299927.427 344897.574 103101.627 206481.117 492861.774 242776.218 406855.653 144554.895 120145.386 202749.069 320598.054 176090.82 141778.296 352579.344 146453.142 284373.825 estrone 3-sulfate 44468.022 47861.91 48097.308 31230.237 31062.225 32256.942 23533.449 57624.645 39306.855 56637.618 97256.427 71348.175 37843.527 56442.942 1000 3582.144 1000 1000 2094.57 1000 1000 1000 2208.249 1000 1000 1000 1000 1000 8,11,14-Eicosatrienoic acid (DGLA) 5075577.72 4196144.808 2892048.216 3940027.965 4669836.594 3133468.614 9856904.223 3604087.905 2631190.32 5805451.041 7140857.112 6334985.943 5231612.682 8912414.388 842417.613 1436989.458 722740.467 1106714.34 1656394.221 1133658.414 1352732.505 1358922.303 2532633.822 1604262.753 1174448.181 1216597.743 1565116.98 1257591.321 Eicosenoic acid 1371054.687 1060687.74 1025240.064 1208213.304 1366629.297 1284003.771 1429445.55 1114252.716 1209378.567 2090122.815 2087745.114 1482135.495 1432887.3 1469355.252 757143.507 1421189.358 1685990.787 1530872.277 2968445.247 1157838.015 638596.242 1379400.021 2039793.867 1802377.554 1200733.227 940468.221 1441026.426 1150203.984 15(S)-Hydroxyeicosatrienoic acid 606568.653 489472.671 441749.535 340743.198 401847.978 288794.628 208092.807 499369.323 507467.766 414756.825 768497.505 1229427.096 371846.724 245037.117 61791.438 18857.403 36252.441 40014.981 64256.052 68341.971 3139.2 25289.121 209531.454 18003.291 4590.846 80812.095 99758.889 176929.287 N-Acetylneuraminate 9-phosphate 20177.703 23353.104 37277.127 1000 15778.62 1000 6945.822 1000 47272.152 18226.845 1000 57761.862 54551.478 12675.888 1000 10508.748 16712.514 10738.728 37332.903 15213.744 9459.567 1000 23959.266 20264.4 1000 1000 48251.502 12954.24 fructoselysine 3-phosphate 210402.891 146830.944 283135.497 587937.039 64261.344 561960.315 64892.544 134890.827 395317.452 577946.376 120393.96 282449.562 235968.057 36060.777 792215.094 1131635.184 776596.878 802764.054 535396.776 743778.783 1000 1392028.557 1645283.394 504458.178 878313.048 1021382.466 906993.093 401485.656 (R)-S-lactoylglutathionate 1894470.051 1667816.619 1175106.498 890045.607 1601431.983 1091024.655 801628.974 1492514.775 1978657.752 1302475.62 2281085.259 2367348.789 1752302.169 1059002.976 2675993.409 1723385.757 2439170.925 1628904.732 1361240.208 1526079.117 1800773.685 2426265.003 1980533.877 1894885.05 3014942.484 2202706.941 2092945.767 2568704.97 UDP-alpha-D-xylose 240533.73 641033.97 573474.405 1006025.238 589552.368 1249725.912 249860.079 768298.554 1223876.175 873706.137 295109.469 517887.18 1041779.598 417496.725 601221.573 1055149.623 1404218.85 1215320.865 1080976.731 1173907.38 214782.144 1557883.305 2033254.518 685805.439 1133615.88 1376484.351 1516388.4 680840.451 ADP-ribose 231220.272 272822.889 1612476.003 423696.912 491156.118 1450340.973 211408.212 63077.226 749254.566 471549.978 1029324.927 682036.08 509624.241 225556.296 369653.325 534856.08 383338.224 410318.604 364429.044 885291.966 228862.98 460908.726 779975.574 269828.352 782775.3 661891.557 322654.314 67887.684 UDP-D-glucuronate 11763070.27 16647650.73 14367898.48 28548323.21 22210731.65 26490349.53 4740512.301 21326315.8 20269269.7 27154302.6 13564911.01 16173547.43 17143898.37 3901924.824 11517579.91 23957891.96 13404600.6 11240905.46 14915877.62 17602495.7 4916252.955 31382371.94 37374968.37 15887703.44 13206900.4 12562359.55 13826119.65 6469496.394 GDP-D-mannose 987942.273 1058256.438 1331940.27 1182354.333 1011615.477 1538074.143 460856.67 1129175.655 1547119.776 1077859.563 869141.217 891232.023 653905.611 440077.827 1118387.394 1167996.231 1011428.016 644999.637 872769.402 1857692.001 410539.194 1859600.526 333074.757 707718.153 1254428.385 1522848.444 1528398.366 1095038.355 NADH 7135367.466 3347709.234 12123664.3 4585752.69 7815881.973 3408752.019 1865930.448 6238940.223 9947359.74 7750707.801 11034641.37 14795057.79 3765839.409 2714781.381 7592595.606 7707920.268 6111325.227 3087129.129 5642342.673 4635979.5 1017866.991 4670679.612 12363457.36 5616666.777 8138562.747 13334295.54 5775280.011 1656676.968 NADPH 1000 1000 31110.144 31593.276 1000 1000 1000 1662.036 27608.292 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 55161.951 1000 1000 1000 1000 1000 docosanedioicacid 235709.481 120632.622 25306.014 160749.489 160417.374 67556.508 56255.901 405099.9 105202.308 162336.036 201766.809 106716.168 46574.436 70800.858 6990.999 39442.08 70802.241 86296.782 391039.431 23154.165 129577.155 35074.791 72546.576 16139.364 74955.444 27419.886 151858.038 77388.024 lithocholate 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 27877.473 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 glycolithocholate 78828.213 172110.825 97815.297 89512.689 117127.632 84384.006 77066.043 94780.581 149642.943 92200.866 140613.951 142080.54 154211.292 123917.868 12219.228 6357.636 7606.242 1000 4012.158 1000 1000 13675.677 14291.463 2298.909 5512.647 9208.527 12113.676 6241.356 glycochenodeoxycholate 2275404.216 3204324.735 2536767.762 2187618.192 2708454.348 1939097.403 1852910.736 2510902.26 3106341.648 2281602.105 3244503.858 3220054.845 3018140.718 2774932.263 119991.435 136145.352 183731.976 131443.809 147770.841 104250.447 96607.716 202701.177 262608.417 106508.151 139022.385 173260.449 139940.778 93321.102 taurolithocholate 981144.204 1220387.43 1206571.23 736973.643 1161931.539 668217.468 694179.033 886259.565 1156696.803 901650.921 1358897.193 1376320.08 1060736.082 1110466.971 53814.258 43591.074 33708.42 30170.583 55013.568 33643.986 26891.712 34636.644 48189.402 45163.884 34274.286 26616.963 39767.46 18091.251 sulfoglycolithocholate 105363.555 112820.673 158594.169 64573.881 83282.352 51812.034 47186.331 164501.553 158060.715 114836.523 189671.187 197294.295 89255.037 74710.17 1000 1000 1000 1000 1000 1000 1000 2736.993 1000 1000 1000 1000 1000 1000 cholesterol sulfate 784394.115 64278.897 161272.482 58225.944 161045.628 67962.429 71833.005 62886.375 22357.83 84608.004 95302.926 141605.529 63793.671 63165.999 1000 6859.593 8295.633 6828.93 6761.901 2372.634 27341.043 2798.991 2856.378 10178.931 18212.733 2672.514 7640.07 9678.351 13-carboxy-alpha-tocopherol 83126.61 12169.95 37566.756 2386.5 20878.455 1000 25180.179 59499.774 54841.062 51441.018 69619.233 54761.988 1000 8121.078 1000 1000 1000 1000 1000 1000 5351.262 11617.047 5029.452 6086.571 9339.396 1000 1000 3699.738 D-glycerate 8746587.261 10630400.25 9981935.682 7452229.722 8605065.222 6172622.844 6296276.334 11229516.34 13133914.07 10801680.9 13444625.42 13780640.8 9732054.987 8623128.366 2278550.268 1471409.142 2179625.361 1269174.111 1005878.682 1401742.425 2009189.247 1590633.309 2253056.64 1948027.749 1985035.401 2123774.502 1747420.164 2234355.126 C4H8O3(3) 21253303.56 20876639.1 19365409.15 33199694.49 31276955.7 24514588.77 26839058.53 22353039.41 10006700.25 19783305 5918505.192 10518004.56 30418663.45 30534347.94 1042202.448 3786069.21 1107534.255 4640646.477 3712489.356 5042037.21 4745660.895 2160666.483 3937813.068 7404690.72 1737822.714 1456836.831 8092092.243 5715476.067 5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate 776728583.8 617238460.4 603157441.1 743127458.1 472847269.6 913181199.9 424069391.3 543924177.7 670539055.7 646705934.2 1096348252 677126064.6 668471144.2 598363694 1246621591 884501235.8 1359510409 790420354.1 759483412.3 1016999768 864653084.4 1125684769 1234362479 947357624.6 1180751703 1106335823 706445364.3 728959517.4 itaconate/Mesaconate 14151066.99 16834968.71 16527745.25 17086887.1 14431391.75 20339733.83 8936955.657 14943503.6 20951000.39 14751668.7 19218751.05 16687002.84 17394783.25 12661207.92 10850635.05 11782507.12 15682578.11 8849342.04 8866215.99 12492571.29 5002801.332 14020458.41 14264342.11 7367809.638 10817868.04 11630381.01 11144891.7 8911498.791 L-4-hydroxyglutamate semialdehyde 1473216591 1830845179 1846212015 2428449099 1578650498 2926116608 894654979.5 1595500033 2217991662 1574779878 1623748884 1385675658 1884212396 907317413.7 1485239433 1675550649 1707579720 1402193184 1256086377 1859916597 502086951.5 1772371490 2051501668 945326642.1 1438011823 1579020429 1468422811 1138675435 C5H10O5(6) 28650862.37 35365660.17 27982880.9 29028021.56 26304510.29 21846576.51 28820597.95 31248420.72 34496541.23 28111652.01 35919669.99 33541960.57 31434122.07 32524607.48 43272935.02 33076651.04 41654334.73 32739216.72 33824364.64 28669902.91 33183830.15 36238449.93 34062836.47 31965678.7 38812010.88 39059784.56 29476469.14 32265174.16 L-arabinitol/xylitol/D-ribitol 19714729.77 24314368.34 21433182.75 20258448.88 20957582.15 18930145.43 16719852.98 22922033.02 26463667.82 20558231.24 25313778.53 25453557.86 22232126.96 20795632.26 3939682.518 2894615.694 1807771.797 3189825.75 3204378.369 5103605.775 3126209.949 3301908.795 4875537.801 2408120.829 3980750.748 3870756.72 2909277.552 2427676.125 L-xylonate/L-lyxonate 19713343.92 32218417.37 21928299.2 28321908.63 28312868.21 28395682.4 24309507.59 21569058.4 23559549.34 19854496.61 25749934.83 23381249.78 31215534.71 30270508.96 12390839.68 15609863.24 17365400.37 11179848.8 11583922.43 13225904.9 9142962.618 13748384.99 21832973.73 10776014.88 15439666.34 17236844.36 11995134.87 9941312.343 2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-phosphate 386453.274 182065.524 385502.97 301475.052 145127.928 1412663.289 1000 315578.79 476193.783 340244.742 232453.068 99614.112 186768.024 23820.3 481042.341 367697.424 224731.266 83748.276 104203.41 1043726.43 221649.858 473479.734 660495.708 134838.204 132817.068 198364.218 169094.034 1000 ribose-phosphate 3653082.726 10576406.01 5592113.733 7724625.18 7779219.522 9181964.16 6893397.672 4763571.09 5916618.891 5746017.588 4805518.464 4196268.933 10783357.93 7664060.685 4983077.667 3728410.809 3254694.909 1115814.576 1821059.115 3571606.335 1280418.468 4928556.291 4198697.997 3729868.611 4001495.421 3668623.926 2663904.258 2082685.137 3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine) 1092542301 1824835865 1607422495 1960980844 1329722338 1609967228 518444155.5 1349730600 1949908488 1137673787 1414268028 1370107864 1921154220 654497976.5 1724089693 1349423486 2124941509 1454770040 1547840135 1418539687 800899041.8 1587166964 1901097051 737913480.6 1781454260 1886394106 1165506200 798723906.5 L-2-aminoadipate 5434915.503 7374972.189 9279377.454 5826572.868 8225862.15 8150815.233 4650048.156 8605726.698 11063284.81 9804633.765 8834924.334 8763337.638 8237522.1 5378444.694 9152914.47 10089726.9 11080473.17 7775048.145 8321293.317 8924501.505 3648053.748 13431435.1 18134601.31 7719345.51 13196469.66 13504586.4 8329397.667 6728144.199 L-fucose/L-Fuculose 2876403.513 3915040.611 3143659.098 3206240.826 2954584.191 2576605.935 2913948.162 3547760.553 3724715.292 2830243.83 3713984.895 3425060.703 3099250.488 3114525.957 399241.446 141620.193 145337.004 103294.725 175532.205 121990.734 105804.135 51026.541 68476.242 108597.882 109471.92 21572.79 199306.428 178623.069 N-Formimidoyl-L-glutamate 3806890.065 4450646.931 6114865.287 4427411.649 5777691.456 4069000.707 2904796.167 7590718.086 8018863.497 11491577.71 5321652.093 6629664.87 9080832.027 2513626.89 2500548.291 3176938.986 2583626.151 3744902.79 2926961.976 3294630.021 1458716.289 4420254.753 7149107.388 3364659.765 4041299.745 4390386.036 4906045.128 3623423.766 N-acetyl-L-aspartate/2-Amino-3-oxoadipate 19907160.6 28780656.29 39875182.75 19705640.99 28724849.38 70504642.42 8157973.164 20018947.67 19072756.82 9498363.756 18223056.96 19882716.36 26247022.62 9467538.9 6974347.263 13524449.74 8259745.386 6938500.002 8274576.939 42673110.84 3328534.83 11332376.48 10788189.38 6782917.119 11919223.39 11111103.44 11078474.86 7995227.544 3-Keto-beta-D-galactose/L-Gulonolactone 2139041.724 2234714.724 2471058.537 1927704.18 2178374.175 2412393.564 1691868.564 2218905.096 2153363.436 2097031.248 3450181.272 2663556.618 1775148.387 2076577.596 1954428.987 1393146.171 2213733.483 1424546.754 1508974.797 1468810.467 1865857.239 1343870.685 1608905.799 1884896.697 1681331.307 1887681.945 1759789.662 1762826.532 C6H12O6(5) 441456936.6 686315780.6 1243912988 682622764.5 646289129.1 1416696760 640450226.2 952722953.6 1183104868 580678725.2 494206742.2 495037351.6 668320376.8 409945877.7 1451344195 1538872287 2136767598 1345926666 1750272752 2844338613 1059588823 2044886277 2772884824 996324198.6 1680899483 1641255775 1407176383 702832379.1 L-Iditol/D-glucitol/galactitol 208779218.1 284387545.3 230700296.9 245226889.5 230233139.1 185822431.8 200364106 235636245.7 272806249.2 205810372.6 264985711.3 249950220.8 246336175.8 238011554.8 28408907.04 24309872.92 6146349.885 2520322.146 8294897.526 4128318.231 7355845.242 4493034.12 1189757.238 23582.154 3126201.708 648111.774 14772259.78 14921614.58 3-dehydro-L-gulonate/D-glucuronate/L-iduronate 7122451.098 8020279.287 7964953.317 9649748.721 8313553.386 9418740.123 5976041.562 8228977.359 9566397.582 7150562.19 9478272.189 7767054.384 9576604.866 6819588.369 6212675.718 6987667.011 7628971.833 7190497.029 7290244.521 8038245.6 5122159.815 7535593.035 9351447.132 5964347.493 7550289.15 8133351.972 6724730.649 5149731.225 gulonate 66245150.3 95022712.65 94929833.97 73617065.6 64679900.58 147016900.6 47443568.04 91117855.59 107656747.7 55766336.94 93205636.2 111628574.9 94580145.54 57700080.05 38287737.13 31300137.93 40548346.95 22638001.41 20847084.68 55353350.17 18075610.54 42329847.69 43409113.97 24834019.39 50298494.83 52095944.4 38671340.18 29408930.9 Methylisocitric acid/2-methylcitrate 2579233.839 3465960.969 3541161.891 3039392.244 2863865.487 3058632.87 1437091.203 3450885.636 3958885.869 3335044.17 5933526.168 3665866.782 3407147.424 2523769.623 708335.637 936370.038 1362373.467 533242.563 605373.006 1188311.799 476816.724 1902293.736 8860109.736 1416959.322 2068786.443 2301627.708 1361837.244 994113.759 phenylacetate/(4-hydroxyphenyl)acetaldehyde 22280012.99 2864783.976 24553464.53 3044831.673 18124119.84 3503514.153 3618948.459 3348770.601 3551809.548 3310700.814 22945725.5 24892990.3 29864938.84 29434433.1 29171652.11 27855878.14 24744773.03 28724594.87 3051405.33 3524967.753 3410561.865 3646361.937 3088869.534 3595665.111 25248550.41 28395610.48 3228191.877 3353768.457 4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde 2276894.532 2448568.305 3423448.752 2458195.65 2661447.102 4050118.26 2464398.81 2951293.371 2757502.356 5355105.162 5707213.263 13432728.4 2781387.174 3153690.789 2646438.21 2642892.555 2363932.545 2060286.336 3091144.929 2540407.809 2215716.477 2027943.033 2157572.883 2301362.28 2286965.274 6051054.549 1994464.941 5176283.124 4-hydroxy-2-nonenal/3,4-epoxynonanal 5244869.379 1750002.135 4275894.927 1682540.079 3131627.385 1984197.816 1667047.932 1909607.283 2066397.465 2327651.268 4500440.94 4825875.24 4686628.392 4413886.428 3653654.046 3967475.946 3566505.525 3653422.224 1028239.776 1734882.315 1008713.193 1381561.263 1367740.458 1346218.263 3506411.55 3736931.358 2310681.645 4847776.602 4,6-Dihydroxyquinoline/quinoline-4,8-diol 476185.074 541585.236 550679.175 531924.735 544536.861 429956.298 442889.499 518841.447 505597.749 564052.815 616428.828 479095.83 509984.478 465330.687 320148.822 249871.29 343721.799 254997.264 254550.303 187281.06 278661.759 316759.014 289550.907 309728.697 256745.736 319131.354 314326.83 206439.876 4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate 1596404.106 991798.284 1530978.693 1024240.857 1059800.643 1503168.57 1337056.791 1586860.875 1325720.775 1274013.807 2216021.154 1791538.188 1256851.992 1325490.681 1077309.852 1389315.468 1306961.523 1300339.401 922834.095 1151948.889 868857.822 1252734.27 1257508.488 1015454.769 1154149.08 1156688.499 1260383.76 1620780.642 linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2) 15887164.98 14187692.83 10664890.84 14774872.44 17937045.07 9202897.641 21019233.57 12741642.23 11728417.67 19553940.33 23364178.08 18614061.95 14297216.91 22561622.47 4018729.512 5242577.055 5773262.355 4223749.152 8811166.998 3908818.944 3634372.857 5658740.355 11658522.92 6921631.386 4626072.774 6004005.006 5572173.228 6060271.551 oleic acid/elaidate/trans-vaccenate 101721939.2 89659449.4 71879444.2 97979285.35 107112088.8 72569165.51 126020617.4 81440494.98 78352047.26 127009602.5 142703677.6 115638215.2 99555540.61 118515075.2 24679302.68 37676507.76 42303111.92 48566696.55 99194855 33680844.97 27760536.99 43309258.27 67791076.71 101213577.8 35017642.31 33259334.83 37587283.03 47731563.52 9(10)-EpOME/12(13)-EpOME 984968.232 812096.988 964429.803 957307.08 874397.538 672217.776 791464.197 1029039.654 1106289.177 1065288.537 2303432.7 1320932.415 677910.411 935376.198 873400.884 762103.392 1211630.853 570598.74 1312619.751 985226.571 524552.505 812885.751 1278755.676 738600.207 844494.126 2875782.087 855299.883 1921197.678 9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate 3387674.07 2870411.007 3532227.777 3716942.502 3226753.791 3632860.725 4044608.409 4675423.305 3410786.052 5062111.668 5910599.979 3823290.21 3974386.383 4478211.777 2003245.194 2977796.325 4815850.509 4022185.182 3260442.324 2274804.372 2689276.893 2543365.878 3240426.582 2759754.498 3096005.67 2736187.863 2444175.369 2643873.459 pristanic acid 758230.275 408058.179 841665.006 488127.003 804894.036 992065.569 1010022.522 798196.956 677482.104 1020539.928 1297431.423 873820.827 811592.514 987422.121 498549.174 766171.803 790962.576 817883.97 688005.567 566376.186 790968.546 488000.655 525076.431 622197.291 660605.178 529662.648 942645.225 617979.189 C20H30O2(4) 5000427.369 11234513.39 5518559.028 11983394.14 10996380.48 11697968.74 12551175.75 6932568.273 4703902.662 10395576.91 8821692.993 13459185.33 11601396.35 13510529.63 1529210.808 2235855.699 1269643.113 5174100.063 1822425.114 1954246.905 2264187.531 1231588.557 1116022.542 1973104.998 1126717.821 4415285.184 1551922.197 3990225.138 arachidonic acid 18165070 15368301.39 8263221.633 11723167.71 16465687.89 10066783.96 31102238.76 9064379.238 6040388.754 13926139.72 19022320.27 15963904.8 18896850.89 27180139.49 2138990.355 3758758.308 2409726.309 4468497.084 3819447.594 3977162.928 5206402.623 2847242.061 3328567.221 4734159.843 2425087.839 2312329.245 3642173.706 3509415.876 phytanic acid/arachidic acid 1648251.111 896115.174 1190074.794 690419.271 1482931.518 1024705.011 1273037.52 1037499.153 867399.627 1716844.38 1804792.833 1334305.896 660458.997 1053999.867 642807.147 537446.982 766322.346 779187.42 790978.146 921883.293 1261267.299 719841.222 679103.973 1011584.424 756025.725 700156.224 1095400.632 1061249.205 C20H30O3(6) 159681.21 903596.079 197546.472 846555.603 684770.547 1424838.573 595083.339 656302.068 428416.743 737687.697 569139.648 2291879.586 1080545.952 814187.796 159399.3 312549.735 81956.88 502579.032 286547.946 342751.698 343182.789 78263.085 51833.688 237478.251 93796.119 896213.01 206964.831 833630.259 C20H32O3(12) 948614.916 925482.684 754267.677 606101.676 728138.91 941844.003 483771.495 810995.994 87404.415 704923.818 1643389.674 1417739.433 1338509.514 908848.173 61871.223 228125.034 57727.191 396763.38 285253.887 259132.83 206626.287 26964.873 130935.339 91541.547 117666.696 177888.132 1176552.36 489184.953 C20H30O4(18) 817233.243 1237392.591 522980.079 1010317.719 770456.106 1677046.563 1501659.159 1076187.495 939141.435 1830789.504 1618389.969 3267948.852 1185490.185 1126459.977 110080.554 364692.627 151898.172 482255.493 183910.011 200200.863 147517.692 57033.954 85964.166 230594.205 48160.827 793397.274 273944.604 812250.225 C20H32O4(21) 967609.122 1673104.167 1155689.427 1359830.94 1247034.462 1457327.856 1572212.931 1375818.558 1213209.144 1229534.058 1706654.976 2064004.941 1642785.651 1677823.68 146132.484 397515.024 188667.99 444719.841 494239.992 463848.075 386860.197 380411.163 302585.634 433267.422 138957.345 561214.887 565147.407 713135.04 C20H34O4(4) 564465.435 285027.027 873216.201 228381.228 498618.966 160317.411 215852.559 117872.241 622188.315 427366.776 507321.063 589586.862 373796.373 463607.412 58735.938 12774.729 34126.944 18976.101 62953.398 72821.061 9796.656 39197.136 173864.637 61070.283 33930.48 216958.143 16524.771 33057.342 docosahexaenoate(DHA) 27746519.16 38164696.4 26747656.49 33062160.94 35991993.1 28787167.35 30704188.59 27338558.95 28977010.89 30353136.86 39485011.24 35515990.22 42222414.93 37443143.37 1021882.569 1547388.123 1380284.214 3962148.606 2999736.972 2578031.361 4169958.711 1276558.833 1819859.712 2448775.704 864627.792 504485.772 1771951.158 1769106.204 clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid 11644395.68 10579421.38 7946026.425 10599364.32 12182051.02 5638540.422 14678251.02 8775220.677 5800276.872 10567746.43 15269512.35 11315631.96 14024772.65 16060400.8 322402.839 626317.545 576106.932 1096708.446 1160784.57 541514.481 1504498.926 626077.701 568323.462 1319776.437 355483.02 204384.27 870717.906 1005199.509 UDP-D-glucose/UDP-D-galactose 92575242.49 117061745.7 124134132 145409893.2 100508616.5 201553103.4 63245410.44 124271738.1 177200447.8 109579745.4 80096089.03 110590069.4 138263197.9 44114347.94 86598434.3 123011151.1 120299787.9 107782248.5 109680703.9 178732992.5 41027964.2 131453917.8 138205824.8 60263435 97365107.25 139022519.6 154167553.8 90968616.49 ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside 1352692.56 1650433.737 2299203.09 1717914.327 1514311.968 3044988.57 608935.545 1374281.427 1644061.584 1742808.432 1538390.85 1695602.169 1883777.184 863182.299 1359667.386 1843092.216 1495864.974 1538903.067 1623135.954 2440713.399 677261.637 2275606.515 2321696.601 1280191.059 1599180.537 1914593.019 2080224.981 1290798.942 UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alpha-D-galactosamine 133542770.5 133189645.6 178518137 233072818.5 168884632.8 262159805.6 65012079.64 155007963.8 263235018.1 250212513.6 176813114.3 157540950.3 256710082.5 66496599.35 211219265.6 357271501.7 256348102.4 375145674.1 353726516 356018517.8 110369361.8 310223358.5 487959298.9 122363846.6 341260193.9 380352390.1 409984438 154939946.8 Taurodeoxycholic acid/taurochenodeoxycholate 8502192.021 8790093.36 9267597.963 5856231.456 7246779.603 4504748.715 5607415.47 8987618.1 9633212.634 8268501.237 12059453.93 10966888.76 8244709.239 7436897.616 307540.827 228557.166 438982.857 269002.407 261287.259 267346.83 267025.563 523217.013 409655.676 183093.834 353611.095 300125.436 353124.81 267585.558 C27H46O4(3) 855929.094 188317.689 225006.012 56334.519 337280.31 55521.129 135032.163 671674.836 171198.435 566928.507 909298.95 1296826.503 105698.661 87112.683 120134.904 204852.684 247411.725 45405.852 160663.845 132791.394 100395.198 469853.838 400457.202 89590.2 311287.341 237272.847 186751.452 166318.845 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholestanoate/3alpha-7alpha-12alpha-25-tetrahydroxy-5beta-cholestane-24-one 78867.675 177368.931 111003.498 82856.82 136143.234 113569.707 80340.405 142531.443 140735.247 110292.132 204236.691 110855.352 126331.845 128172.885 1000 1000 1000 1000 2725.128 1000 1000 1000 1000 1000 3017.196 1000 1000 3314.115 L-isoleucine/L-leucine 6287996088 8347326206 6782304686 6944874217 6722312184 5837446806 6138819167 7622771752 8706362749 7157856967 8384818225 8317953498 8566331946 7168475334 9127031788 7145590358 9474742480 7336625421 7544904511 6441671997 7129771175 8206317131 8207221275 7158306404 8900656364 8985003980 6844592336 7580612717 thiosulfate 13393783.28 32428385.67 20038879.73 25229442 22984244.5 29210177.07 13755727.25 28683114.49 27315066.7 20410124.42 19757736.65 23530833.55 23065861.22 14983658.79 22890138.97 10723763.44 19396837.93 13012926.5 15852311.54 53220009.76 5974348.314 21860805.57 20344490.19 23504397.12 31793359.45 20571674.46 4951754.568 9811756.482 Diphosphate 5086573.563 106562.334 697772.631 129231.987 495085.017 480101.553 17352.759 389351.085 456876.981 4657243.053 2574865.422 6466192.665 362362.218 82100.79 49168.245 59350.62 27636.555 30958.11 45802.461 128894.007 5122.827 194433.879 362890.107 71387.955 22921.335 73249.827 54795.231 25689.66 L-cysteate 5419542.753 12332074.41 8022724.188 9556446.981 7883396.214 12488646.95 8001998.904 20271751.49 17848430.75 13974419.45 9111743.352 9497278.371 13499311.99 7799732.811 12864650.36 10784656.74 12810871.2 9784812.816 11170984.85 14949265.75 12926749.88 15890931.83 17775143.66 10438030.49 19376951.92 21047483.39 15618399.61 12037720.64 D-Glucuronate 1-phosphate 1506424.371 547478.502 949946.235 670028.61 928065.507 2176067.091 126586.209 1029521.841 1013134.422 751384.365 948981.006 860540.94 417216.459 176323.665 627873.18 839239.971 533754.303 167292.927 526180.071 1866971.556 293136.306 894004.362 877030.698 526738.59 444098.379 423014.232 301977.207 159828.894 L-glutamate 1446067326 1798919417 1801664813 2379341827 1543527429 2843837175 876298656.7 1561914485 2170075704 1543136502 1596256350 1363060783 1846347483 890801554.9 1452374827 1631028349 1665535966 1367128553 1223951978 1797916162 490412926.8 1724285226 1988675076 923224515 1404714423 1541866709 1429368419 1115216246 myo-inositol 432786008.4 672355649.6 1222455156 670718688.5 633762986.7 1398591473 630743706 935422247.8 1160958788 570282143.2 481855007.3 482931115.9 654309623.8 401306244.7 1425535218 1514101148 2095310115 1324157724 1724231630 2807712249 1044807709 2008932667 2725655650 980836525.9 1648902042 1612339655 1388751281 690940254.1 uracil 18615989.56 25958838.44 25557586.4 22881111.93 19115597.42 28268404.2 46352335.38 21966609.88 35235332.59 13257537.96 30619895.89 38770767.67 27318974.26 21986870.52 20670397.57 15747654.56 30604386.26 11167086.53 9506776.797 25032137.14 12206150.65 20838987.98 27852026.59 12914947.73 19887229.31 32985029.99 21129950.25 9241288.761 aspartate 107142030 56046303.68 60894708.2 105088419 60220277.27 143295146 61245907.39 321129793.4 446099369.4 222497298.1 279435942.3 240395827.8 245446725.6 157665761.8 203566209.2 188092393.5 137303320 267623852 214466279.8 264987674.5 186415194 697901085.7 844771502.5 473904784.9 757004974.2 799459030.5 658660636.2 504119828.1 Hypoxanthine 16267463.81 53813341.5 7095127.224 56374479.86 55678412.62 51249097.09 65245439.67 4985910.273 292269.972 32309617.07 14345142.44 11967251.91 64533304.38 73814815.13 138997.035 477945.27 3686851.122 4246148.358 5711694.597 1154385.84 4040312.586 879927.933 4499105.049 2889802.263 1429714.053 1298904.312 1145449.839 3666016.842 GMP 224694.228 325759.122 408347.595 455756.238 466684.572 447389.199 283068.828 331728.144 429780.243 791793.933 312276.003 293400.057 561912.582 257256.447 433239.096 495010.692 479291.961 346169.349 405469.077 314419.62 208876.488 585813.615 890024.856 359075.646 403762.146 467420.982 518202.225 286748.337 GDP 570792.48 59572.83 347453.334 133019.724 107789.655 314590.827 26009.535 182217.828 64975.668 150277.743 282374.001 516346.119 97882.32 1000 24338.106 30420.102 15666.108 1000 38200.635 277529.217 18404.451 211791.981 166941.306 26453.529 48996.516 57983.82 113624.145 1000 GTP 1921208.799 357262.065 1131038.004 831117.096 727813.968 1327141.47 79369.944 983318.217 842922.477 1083390.843 1398303.531 2697795.21 672554.91 156134.145 309129.798 457462.608 379573.017 132830.934 510453.615 952180.5 108457.788 1090844.763 936730.29 656066.748 304211.538 402557.109 833684.238 150395.271 AMP 2816862.933 2755285.014 3649231.221 3259192.515 2622365.691 4179420.516 1349666.193 3177407.334 3431650.392 2982187.458 3556400.409 4260768.591 3224897.916 1906851.342 2446233.015 3640886.997 2816319.564 2249977.05 2932394.379 4108578.933 1097616.492 4732601.211 4957283.862 2541237.078 3154059.153 3665124.813 2680815.699 1608844.548 ADP 14622394.27 5949210.129 13766490.02 8253311.475 7665647.607 15031198.73 1315743.942 10008769.3 11186745.78 9127308.264 14331694.61 23256850.57 7097628.117 2696338.761 4222034.241 6617676.399 5327128.833 2969847.801 5199579.261 11920306.17 1235040.72 13328545.52 14578764.59 4900936.044 4920883.686 6438647.4 7025113.434 2619780.678 ATP 45611289.76 13403693.67 27489980.61 22117350.51 18573773.05 33344116.52 2513355.297 30115770.67 28326462.44 25373485.67 34906743.35 59800510.64 18488690.54 5980991.334 12116496.67 15127895.93 14384964.39 6898742.304 14432005.71 30918512.75 3603290.589 34216726.79 32421797.54 14393416.22 13468160.61 16145747.97 18752907.24 7282711.422 CMP 328345.47 288189.678 673353.333 250713.576 445472.58 259633.404 257646.618 210337.302 403442.766 407876.682 700565.664 491152.728 456568.287 328294.668 132719.184 270527.34 228793.446 435166.677 257627.244 256494.924 51588.81 264495.453 611386.755 238280.046 245636.367 242267.475 267308.865 104907.423 CDP 337600.935 46812.219 257219.745 114698.832 117786.426 189607.764 1000 92460.84 141257.73 121429.314 252895.227 420898.446 80713.254 10450.089 34063.782 64888.515 37535.304 18901.818 15335.073 124185.804 11159.559 107128.365 98054.652 14962.53 35876.757 24950.379 38695.698 13356.135 CTP 5811827.19 1443716.868 3379252.575 2452349.19 2414533.572 3499893.936 173800.281 3066015.624 3108613.479 2734323.225 3681019.428 7209004.584 1640628.201 452075.889 572257.503 1212222.966 666526.212 424198.545 902924.679 2437772.607 95387.484 2429742.921 2131006.113 946653.192 808783.965 1321383.654 1506425.382 361351.326 UMP 18256112.78 28120655.85 93872164.21 23220603.35 30507992.54 30285085.96 11447614.16 12745663.63 17854973.6 10982402.6 52666896.88 34308030.57 25845998.7 11751448.01 18601901.01 24474483.06 26322457.49 26512653.11 22710961.47 17802776.3 6422667.201 21840791.44 20138119.73 11703185.97 23344405.97 26763910.36 17893660.82 10512461.19 UDP 14414869.19 7281845.364 12434447.83 11209491.92 10719735.9 16621712.15 2258146.494 11578371.87 12240839.87 12497883.91 11408228.89 18299247.51 8292111.897 1992490.128 5202158.493 9623804.454 6425331.783 4848441.804 7049988.51 11851447.45 2203600.254 14023527.74 15180502.84 6882670.344 5557781.013 6662397.33 7908539.172 2949050.409 UTP 31066321.78 7839105.699 17761214.8 12060797.34 12853945.33 22650811.13 1713833.823 17921052.92 19901769.03 15567891.35 19361738.38 35109744.01 10739372.95 2562036.321 4858167.525 8098208.199 6708783.387 3625542.534 7508010.789 16651821.35 1129625.595 16382954.81 14625505.6 5918369.301 6304290.033 8369813.808 10553335.58 3056632.608 dUDP 63232.83 118506.657 136297.311 63867.258 69855.357 122570.976 392371.233 137275.413 172568.184 158105.46 71237.916 119064.45 116506.98 51462.135 201218.085 142774.908 94382.667 278705.625 413522.907 1211913.771 154403.496 370618.797 52668.57 125743.152 374871.324 856497.759 296632.293 230281.896 inosine 3450738.774 11826787.88 2367707.106 7844843.742 10141535.87 6552644.001 15830437.69 1782855.387 2438063.64 4702343.949 3484436.934 3420940.17 11430348.8 11544298.1 1599791.811 5764726.74 2364475.473 3150947.916 4407078.81 4535341.104 2075940.831 2171137.95 4864924.983 7411715.202 3790697.163 4018829.871 5185311.648 4372244.892 guanosine 629123.244 482648.574 385470.003 345993.078 627415.203 783837.924 362175.594 150294.609 328604.313 525053.742 1165614.336 485641.518 473018.559 387166.923 356567.025 844155.918 525145.314 788904.267 1518217.638 1740343.659 262695.387 536210.55 1291538.979 647132.964 926060.418 801650.355 1361120.268 793124.166 cytidine 9652485.699 9052454.568 9976203.813 7607466.195 8851805.712 6833749.797 6835279.707 8980093.212 6381140.07 7524086.001 11549667.83 10678890.97 6505930.212 7705951.863 2745787.335 2972086.02 5702652.006 2507095.767 3430906.491 3866961.333 1331163.714 3249740.241 2764959.867 1121160.369 3099806.715 3543035.829 2459214.012 993225.711 uridine 669532673.9 422295800.2 564284721 615660014.2 659889232.8 807587032.3 761313876.7 490088282.6 439294882.8 526786311.6 489513971.9 446834396.4 438634192.9 492029239.2 485934710.9 550317012.8 492339448.3 551701659 492629204.1 702104135.4 596381197.6 444068373.4 445491302 626147737 470314673.6 462482569.7 821612799.6 561979765 Thymidine 400660.02 582684.21 605349.354 364564.083 635908.443 241891.548 410007.048 584659.515 611328.234 605040.051 838282.371 575028.747 470738.439 736135.965 123495.528 237013.128 179582.973 63896.397 147855.357 108287.418 12525.141 127626.21 104592.762 98617.8 224010.03 166875.27 248536.434 118740.675 Deoxyinosine 322137.879 407748.843 184482.771 560600.445 508392.09 907804.995 96826.035 97650.204 66579.381 78384.609 253811.01 207461.985 560086.212 251867.274 173863.629 1157811.375 242522.088 126977.787 744660.465 528676.77 13285.416 357437.604 474044.376 185962.059 467793.447 304176.801 1531919.634 108277.458 Deoxyuridine 207292.887 320751.504 252617.613 256107.636 274101.096 152001.579 236584.419 296291.106 418945.068 358432.758 373842.489 351215.76 323922.843 377328.474 47307.339 83932.89 103074.507 63390.768 60686.241 140459.895 48835.035 92322.606 143782.074 84538.152 160456.935 118790.838 123858.855 100853.778 alpha-D-glucose 681570133.1 856843932.9 670291444.7 723108942.3 656924485.4 548162239.7 684783695.3 783789284.5 825860436.3 691183075.8 801799337.3 750766073.9 787783500.7 788511724.9 1096849855 867280981 1028232249 820531337.3 815384750.7 706371811.7 820729984.4 931901185.2 831835326 798577648.7 962790410.9 1003117218 716700621.2 804934178.3 G6P/F6P 11929167.57 16109345.17 21292153.05 21923838.24 16528001.72 36810146.06 14082420.14 26534016.74 36395119.2 30375473.4 16403686.24 18891844.44 24035002.39 10623481.46 20629111.14 20653185.97 12782923.27 8447573.961 16405456.05 35484400.73 7031321.913 17228633.89 13008728.93 9077552.628 16090036.54 23349431.82 21492033.86 12678654.43 beta-D-Fructose 1,6-bisphosphate 2490407.64 745245.969 2545442.265 721720.092 1255889.361 2241564.042 240990.3 1077457.776 1656683.613 1076197.464 2225031.123 3382438.848 700102.47 360823.797 604946.325 840984.009 569344.14 128339.031 396429.69 1291505.307 114165.021 596809.842 512665.578 159086.781 303384.531 417262.797 834204.579 182325.375 Dihydroxyacetone phosphate 3078832.08 4920694.797 7609567.077 6476178.327 5133565.446 12342713.03 2427698.079 5632402.047 8733997.833 7487969.634 3540708.42 5404719.528 6144486.882 2843665.977 1582002.969 2540366.256 1924822.665 352859.769 975786.681 2353825.011 441000.756 1056515.835 1608851.13 799039.473 1566928.173 1595241.273 1748390.97 946202.112 D-Glycerate 3-phosphate/D-Glycerate 2-phosphate 3638814.741 1785562.821 4356744.579 2290943.358 3217592.205 3875270.553 715453.632 1820188.836 2704060.368 2765436.345 2864590.623 3065727.453 1242374.532 1008696.162 1292264.805 2102865.213 1593428.385 889502.049 1011864.945 2678647.62 300172.551 1655007.36 3187326.108 1050056.04 1008235.416 1105998.774 1103369.892 744134.262 Phosphoenolpyruvate 2692525.341 1696691.583 2610394.491 1770659.307 2556716.133 2112159.216 835958.238 1220332.941 1361944.104 1417899.069 1628654.202 1732847.76 659003.568 898411.98 1188975.075 2175256.236 1587793.842 1023168.564 959656.509 1738976.322 436192.095 1253866.788 2313715.47 1067300.343 1104270.099 714945.945 717832.359 1077167.319 pyruvate 241774624 301947360.1 200223748.3 233755909.3 259497939 162719508.6 307450025.8 239970897.7 225308115.2 280648933.3 311415439.3 268536452.2 216697046.3 434854023.1 404158382.2 320835705.3 334403482.2 304384736.5 352176309.2 268747992.7 457753616.5 188888979.3 129853282.8 315247675.6 267601062.5 243283809.4 228674649.8 349449012.2 lactate 7579127600 9754249306 10699240103 8152677352 8128296511 10347335787 5334952153 8857138469 11157224824 7310376339 9917919414 9577795641 8603029557 6277409099 3330627809 3533605539 4653827718 1520916142 1884529514 3241210509 1285296206 3675408111 3947577931 2137826914 3459118222 3219957391 3121730278 2206932053 citrate/isocitrate 646189982.5 600665505 608324214.5 716748682.8 539964922.4 982169468.1 181291821.2 865952584.3 1314790951 759922744.4 1015950288 982897992 922501938.7 394823818.2 426533206.9 416548371.1 591626079.4 359487631.1 402482674.7 844346218.5 113110485 986074801.9 968421260.5 335455407.8 626729768.8 703309610.6 839512681.8 503969261.1 cis-aconitate 7423921.56 7543599.651 7697229.609 9684709.005 6752525.469 14089755.06 2582270.976 10573009.41 16894190.09 9643051.932 13210028.13 12611143.18 12350878.05 5243116.83 5234302.392 5828605.335 7972695.84 4666265.508 5096960.601 11091879.01 1471822.911 11890039.61 11874798.29 4088542.755 7871885.916 9140916.381 9951489.246 5793189.153 2-oxoglutarate 60819243.49 59675370.5 81903649.27 62713464.31 45545645.12 80062277.24 21023110.55 45339543.52 54503218.75 45208356.02 45903474.11 41384968.76 42475656.56 26036269.11 49383557.61 55129064.97 68293190.29 30181702.37 42808452.74 70404829.1 10551789.92 42096747.34 49444173.67 19182727.5 23489117.65 25541435.24 20391840.67 15381560.64 succinate(2-) 176099812.3 320653477.4 192379627.1 244408186.4 243958014.3 213563732.9 210588232.3 219928942.8 267655827.7 187043082.4 243519082.4 247608656.8 293020580.3 259919034 44355210.02 37954522.31 47600781.32 30890545.85 37513886.39 44504907.49 28683730.81 53697665.76 55434070.76 36526497.19 54653940.24 64918617.79 48977395.27 40703225.32 fumarate 18144566.81 18024185.87 17152134.24 17401839.94 15072710.15 25008348.13 10790300.38 38945562.94 51274308.94 24993308.9 35694169.4 31753682.64 29057471.4 18945960.22 12767022.01 12141360.62 13223118.46 10639520.81 10908022.63 20134140.47 8219639.448 35869464.91 50162082.53 22913507.89 36566389.65 38034777.47 31590862.36 21942126.94 malate 225767990 209638676.9 208003659.3 206710509.3 185783102.8 253800941.8 175144868.1 322885649.9 386710886 238501488.6 305233657 285960579.4 267960210.4 203741282.7 166076708.1 164249376.2 170294643.6 140465545.3 140685008.7 204242552.6 134181356.8 256264094.3 340032371.4 203041694 257892062.9 260209767.2 225208362.8 182453541.4 acetoacetate 8104836.639 7478064.108 10216938.04 11550293.71 13816317.1 14021614.74 12711642.86 5972753.757 8493378.885 10201153.49 9347593.866 10697904.3 12287422.67 12531859.22 5717400.006 10015522.65 6846694.938 10678000.48 12344412.53 12703573.13 11823743.09 5564496.798 9227711.028 10890385.87 9096675.606 9709488.702 13681439.18 12672121.05 2-Hydroxyglutarate 25783859.77 30652882.53 31658654.54 27566321.94 23059389.24 31178534.26 18670114.27 19638373.8 21489761.3 20931029.55 24238920.99 20783394.57 22677953.15 25958863.51 23532437.74 24539867.01 29724648.4 14189916.16 16688258.17 16611362.19 15626649.36 15820370.28 17080753.06 14748434.48 15098721.47 15065592.77 13207839.33 14438074.62 Valine 787896911.9 1041827111 869785319.4 888281527.1 852988283.8 744353940.9 736469627 947154780.6 1079251569 872638828.8 1029601006 992156244.6 1091129867 930455860.2 1225592455 921821941.3 1170222163 929933703.8 930014765.8 810943123.2 917066104.3 1080258558 992663338.7 912097112.9 1138313159 1207205770 868955121.1 930728251 dUMP 1000 1000 1000 216899.919 1000 49521.654 95672.562 25226.49 1000 273704.169 1000 1000 39718.056 1000 34836.684 136862.13 73759.578 74508.348 186119.364 82935.456 1000 224276.418 335408.406 29244.762 320602.542 216351.936 211843.02 1000 dTTP 622024.044 95342.484 146426.31 43188.375 117685.698 59825.034 1000 503085.804 346587.204 10492.911 421764.51 440037.39 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Hypotaurine Taurine Glycerol 3-phosphate O-Phospho-L-serine L-erythrulose L-threonate allantoate D-Erythrose 4-phosphate N-phosphocreatinate 3-methyl-2-oxobutanoate beta-hydroxy-beta-methylbutyrate Xanthine (S)-dihydroorotate 7,9-dihydro-1H-purine-2688(3H)-trione N-Carbamoyl-L-aspartate 5-Hydroxyisourate (R)-2-hydroxy-4-methylpentanoate 4-nitrophenolate 2-methylglutaconic acid adipic acid lysine 2-aminomuconate 2-oxoadipate arginine oxalatosuccinate D-Glucosamine 6-phosphate 6-Phosphogluconic acid 4-hydroxybenzoate/Gentisate aldehyde 3-hydroxyanthranilate quinolinate 2-acetamido-5-oxopentanoate N-acetyl-L-glutamate L-cystathionine Sedoheptulose 7-phosphate 4-pyridoxate fructoseglycine nonanoate (4-hydroxy-3-methoxyphenyl)acetaldehyde 4-hydroperoxy-2-nonenal Azelaic acid (R)-Pantothenate carnosine gama-L-glutamyl-L-alpha-aminobutyrate Galactosylglycerol S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine N-acetyl-seryl-aspartate 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate Perillic acid trans-4,5-epoxy-2(E)-decenal caprate w-hydroxydecanoicacid kynurenate N(omega)-(L-Arginino)succinate L-tryptophan 5-Methoxyindoleacetate Glycyl-phenylalanine laurate omega hydroxy dodecanoate (n-C12:0) Dodecanedioic acid fructosyllysine tetradecenoate (n-C14:1) myristate 6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate omega hydroxy tetradecanoate (n-C14:0) 3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dihydroxy-tetradec-8Z-enoate pentadecanoate palmitoleate palmitate omega hydroxy hexadecanoate (n-C16:0) 11'-Carboxy-alpha-chromanol Hexadecanedioic acid margarate stearate 12,13-epoxy-9-hydroperoxy-10E-octadecenoate estrone 3-sulfate 8,11,14-Eicosatrienoic acid (DGLA) Eicosenoic acid 15(S)-Hydroxyeicosatrienoic acid N-Acetylneuraminate 9-phosphate fructoselysine 3-phosphate (R)-S-lactoylglutathionate UDP-alpha-D-xylose ADP-ribose UDP-D-glucuronate GDP-D-mannose NADH NADPH docosanedioicacid lithocholate glycolithocholate glycochenodeoxycholate taurolithocholate sulfoglycolithocholate cholesterol sulfate 13-carboxy-alpha-tocopherol D-glycerate C4H8O3(3) 5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate itaconate/Mesaconate L-4-hydroxyglutamate semialdehyde C5H10O5(6) L-arabinitol/xylitol/D-ribitol L-xylonate/L-lyxonate 2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-phosphate ribose-phosphate 3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine) L-2-aminoadipate L-fucose/L-Fuculose N-Formimidoyl-L-glutamate N-acetyl-L-aspartate/2-Amino-3-oxoadipate 3-Keto-beta-D-galactose/L-Gulonolactone C6H12O6(5) L-Iditol/D-glucitol/galactitol 3-dehydro-L-gulonate/D-glucuronate/L-iduronate gulonate Methylisocitric acid/2-methylcitrate phenylacetate/(4-hydroxyphenyl)acetaldehyde 4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde 4-hydroxy-2-nonenal/3,4-epoxynonanal 4,6-Dihydroxyquinoline/quinoline-4,8-diol 4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2) oleic acid/elaidate/trans-vaccenate 9(10)-EpOME/12(13)-EpOME 9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate pristanic acid C20H30O2(4) arachidonic acid phytanic acid/arachidic acid C20H30O3(6) C20H32O3(12) C20H30O4(18) C20H32O4(21) C20H34O4(4) docosahexaenoate(DHA) clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid UDP-D-glucose/UDP-D-galactose ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alpha-D-galactosamine Taurodeoxycholic acid/taurochenodeoxycholate C27H46O4(3) 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholestanoate/3alpha-7alpha-12alpha-25-tetrahydroxy-5beta-cholestane-24-one L-isoleucine/L-leucine thiosulfate Diphosphate L-cysteate D-Glucuronate 1-phosphate L-glutamate myo-inositol uracil aspartate Hypoxanthine GMP GDP GTP AMP ADP ATP CMP CDP CTP UMP UDP UTP dUDP inosine guanosine cytidine uridine Thymidine Deoxyinosine Deoxyuridine alpha-D-glucose G6P/F6P beta-D-Fructose 1,6-bisphosphate Dihydroxyacetone phosphate D-Glycerate 3-phosphate/D-Glycerate 2-phosphate Phosphoenolpyruvate pyruvate lactate citrate/isocitrate cis-aconitate 2-oxoglutarate succinate(2-) fumarate malate acetoacetate 2-Hydroxyglutarate Valine dUMP dTTP METABOLITES_END #END