#METABOLOMICS WORKBENCH chl2029_20210127_123932 DATATRACK_ID:2428 STUDY_ID:ST001680 ANALYSIS_ID:AN002739 PROJECT_ID:PR001079 VERSION 1 CREATED_ON February 3, 2021, 9:48 am #PROJECT PR:PROJECT_TITLE Metabolome of NAFLD in high fat diet mouse model PR:PROJECT_SUMMARY We investigated the effects of a RAR beta 2 agonist, AC261066, on the hepatic PR:PROJECT_SUMMARY metabolites changed in high fat fed NAFLD mouse model. We suggest that AC261066 PR:PROJECT_SUMMARY has potential therapeutic relevance for the prevention/treatment of NAFLD and PR:PROJECT_SUMMARY NASH. PR:INSTITUTE Weill Cornell Medical College PR:LABORATORY Lorraine Gudas PR:LAST_NAME Lorraine PR:FIRST_NAME Gudas PR:ADDRESS 1300 York Ave, New York, NY, 10065, USA PR:EMAIL chl2029@med.cornell.edu PR:PHONE 646-3094389 #STUDY ST:STUDY_TITLE Metabolome of NAFLD in high fat diet mouse model ST:STUDY_SUMMARY We investigated the effects of a RAR beta 2 agonist, AC261066, on the hepatic ST:STUDY_SUMMARY metabolites changed in high fat fed NAFLD mouse model. We suggest that AC261066 ST:STUDY_SUMMARY has potential therapeutic relevance for the prevention/treatment of NAFLD and ST:STUDY_SUMMARY NASH. ST:INSTITUTE Weill Cornell Medicine ST:LAST_NAME Gudas ST:FIRST_NAME Lorraine ST:ADDRESS 1300 York Ave ST:EMAIL chl2029@med.cornell.edu ST:PHONE 646-3094389 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - anp-neg-Control-217 Treatment:chow RAW_FILE_NAME=anp-neg-Control-217 SUBJECT_SAMPLE_FACTORS - anp-neg-Control-217b Treatment:chow RAW_FILE_NAME=anp-neg-Control-217b SUBJECT_SAMPLE_FACTORS - anp-neg-Control-316 Treatment:chow RAW_FILE_NAME=anp-neg-Control-316 SUBJECT_SAMPLE_FACTORS - anp-neg-Control-316b Treatment:chow RAW_FILE_NAME=anp-neg-Control-316b SUBJECT_SAMPLE_FACTORS - anp-neg-Control-317 Treatment:chow RAW_FILE_NAME=anp-neg-Control-317 SUBJECT_SAMPLE_FACTORS - anp-neg-Control-317b Treatment:chow RAW_FILE_NAME=anp-neg-Control-317b SUBJECT_SAMPLE_FACTORS - anp-neg-Control-417 Treatment:chow RAW_FILE_NAME=anp-neg-Control-417 SUBJECT_SAMPLE_FACTORS - anp-neg-Control-417b Treatment:chow RAW_FILE_NAME=anp-neg-Control-417b SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-216 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-216 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-217 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-217 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-217b Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-217b SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-316 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-316 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-317 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-317 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-416 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-416 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-417 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-417 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-4217 Treatment:high fat diet RAW_FILE_NAME=anp-neg-HFD-4217 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-116 Treatment:high fat diet+AC261066 RAW_FILE_NAME=anp-neg-HFD-Drug-116 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-116b Treatment:high fat diet+AC261067 RAW_FILE_NAME=anp-neg-HFD-Drug-116b SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-217 Treatment:high fat diet+AC261068 RAW_FILE_NAME=anp-neg-HFD-Drug-217 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-217b Treatment:high fat diet+AC261069 RAW_FILE_NAME=anp-neg-HFD-Drug-217b SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-316 Treatment:high fat diet+AC261070 RAW_FILE_NAME=anp-neg-HFD-Drug-316 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-316b Treatment:high fat diet+AC261071 RAW_FILE_NAME=anp-neg-HFD-Drug-316b SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-417 Treatment:high fat diet+AC261072 RAW_FILE_NAME=anp-neg-HFD-Drug-417 SUBJECT_SAMPLE_FACTORS - anp-neg-HFD-Drug-417b Treatment:high fat diet+AC261073 RAW_FILE_NAME=anp-neg-HFD-Drug-417b SUBJECT_SAMPLE_FACTORS - anp-pos-Control-217 Treatment:chow RAW_FILE_NAME=anp-pos-Control-217 SUBJECT_SAMPLE_FACTORS - anp-pos-Control-217b Treatment:chow RAW_FILE_NAME=anp-pos-Control-217b SUBJECT_SAMPLE_FACTORS - anp-pos-Control-316 Treatment:chow RAW_FILE_NAME=anp-pos-Control-316 SUBJECT_SAMPLE_FACTORS - anp-pos-Control-316b Treatment:chow RAW_FILE_NAME=anp-pos-Control-316b SUBJECT_SAMPLE_FACTORS - anp-pos-Control-317 Treatment:chow RAW_FILE_NAME=anp-pos-Control-317 SUBJECT_SAMPLE_FACTORS - anp-pos-Control-317b Treatment:chow RAW_FILE_NAME=anp-pos-Control-317b SUBJECT_SAMPLE_FACTORS - anp-pos-Control-417 Treatment:chow RAW_FILE_NAME=anp-pos-Control-417 SUBJECT_SAMPLE_FACTORS - anp-pos-Control-417b Treatment:chow RAW_FILE_NAME=anp-pos-Control-417b SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-216 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-216 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-217 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-217 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-217b Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-217b SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-316 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-316 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-317 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-317 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-416 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-416 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-417 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-417 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-4217 Treatment:high fat diet RAW_FILE_NAME=anp-pos-HFD-4217 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-116 Treatment:high fat diet+AC261066 RAW_FILE_NAME=anp-pos-HFD-Drug-116 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-116b Treatment:high fat diet+AC261067 RAW_FILE_NAME=anp-pos-HFD-Drug-116b SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-217 Treatment:high fat diet+AC261068 RAW_FILE_NAME=anp-pos-HFD-Drug-217 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-217b Treatment:high fat diet+AC261069 RAW_FILE_NAME=anp-pos-HFD-Drug-217b SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-316 Treatment:high fat diet+AC261070 RAW_FILE_NAME=anp-pos-HFD-Drug-316 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-316b Treatment:high fat diet+AC261071 RAW_FILE_NAME=anp-pos-HFD-Drug-316b SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-417 Treatment:high fat diet+AC261072 RAW_FILE_NAME=anp-pos-HFD-Drug-417 SUBJECT_SAMPLE_FACTORS - anp-pos-HFD-Drug-417b Treatment:high fat diet+AC261073 RAW_FILE_NAME=anp-pos-HFD-Drug-417b SUBJECT_SAMPLE_FACTORS - C18-neg-Control-217 Treatment:chow RAW_FILE_NAME=C18-neg-Control-217 SUBJECT_SAMPLE_FACTORS - C18-neg-Control-217b Treatment:chow RAW_FILE_NAME=C18-neg-Control-217b SUBJECT_SAMPLE_FACTORS - C18-neg-Control-316 Treatment:chow RAW_FILE_NAME=C18-neg-Control-316 SUBJECT_SAMPLE_FACTORS - C18-neg-Control-316b Treatment:chow RAW_FILE_NAME=C18-neg-Control-316b SUBJECT_SAMPLE_FACTORS - C18-neg-Control-317 Treatment:chow RAW_FILE_NAME=C18-neg-Control-317 SUBJECT_SAMPLE_FACTORS - C18-neg-Control-317b Treatment:chow RAW_FILE_NAME=C18-neg-Control-317b SUBJECT_SAMPLE_FACTORS - C18-neg-Control-417 Treatment:chow RAW_FILE_NAME=C18-neg-Control-417 SUBJECT_SAMPLE_FACTORS - C18-neg-Control-417b Treatment:chow RAW_FILE_NAME=C18-neg-Control-417b SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-216 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-216 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-217 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-217 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-217b Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-217b SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-316 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-316 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-317 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-317 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-416 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-416 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-417 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-417 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-4217 Treatment:high fat diet RAW_FILE_NAME=C18-neg-HFD-4217 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-116 Treatment:high fat diet+AC261066 RAW_FILE_NAME=C18-neg-HFD-Drug-116 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-116b Treatment:high fat diet+AC261067 RAW_FILE_NAME=C18-neg-HFD-Drug-116b SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-217 Treatment:high fat diet+AC261068 RAW_FILE_NAME=C18-neg-HFD-Drug-217 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-217b Treatment:high fat diet+AC261069 RAW_FILE_NAME=C18-neg-HFD-Drug-217b SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-316 Treatment:high fat diet+AC261070 RAW_FILE_NAME=C18-neg-HFD-Drug-316 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-316b Treatment:high fat diet+AC261071 RAW_FILE_NAME=C18-neg-HFD-Drug-316b SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-417 Treatment:high fat diet+AC261072 RAW_FILE_NAME=C18-neg-HFD-Drug-417 SUBJECT_SAMPLE_FACTORS - C18-neg-HFD-Drug-417b Treatment:high fat diet+AC261073 RAW_FILE_NAME=C18-neg-HFD-Drug-417b SUBJECT_SAMPLE_FACTORS - C18-pos-Control-217 Treatment:chow RAW_FILE_NAME=C18-pos-Control-217 SUBJECT_SAMPLE_FACTORS - C18-pos-Control-217b Treatment:chow RAW_FILE_NAME=C18-pos-Control-217b SUBJECT_SAMPLE_FACTORS - C18-pos-Control-316 Treatment:chow RAW_FILE_NAME=C18-pos-Control-316 SUBJECT_SAMPLE_FACTORS - C18-pos-Control-316b Treatment:chow RAW_FILE_NAME=C18-pos-Control-316b SUBJECT_SAMPLE_FACTORS - C18-pos-Control-317 Treatment:chow RAW_FILE_NAME=C18-pos-Control-317 SUBJECT_SAMPLE_FACTORS - C18-pos-Control-317b Treatment:chow RAW_FILE_NAME=C18-pos-Control-317b SUBJECT_SAMPLE_FACTORS - C18-pos-Control-417 Treatment:chow RAW_FILE_NAME=C18-pos-Control-417 SUBJECT_SAMPLE_FACTORS - C18-pos-Control-417b Treatment:chow RAW_FILE_NAME=C18-pos-Control-417b SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-216 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-216 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-217 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-217 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-217b Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-217b SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-316 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-316 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-317 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-317 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-416 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-416 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-417 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-417 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-4217 Treatment:high fat diet RAW_FILE_NAME=C18-pos-HFD-4217 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-116 Treatment:high fat diet+AC261066 RAW_FILE_NAME=C18-pos-HFD-Drug-116 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-116b Treatment:high fat diet+AC261067 RAW_FILE_NAME=C18-pos-HFD-Drug-116b SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-217 Treatment:high fat diet+AC261068 RAW_FILE_NAME=C18-pos-HFD-Drug-217 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-217b Treatment:high fat diet+AC261069 RAW_FILE_NAME=C18-pos-HFD-Drug-217b SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-316 Treatment:high fat diet+AC261070 RAW_FILE_NAME=C18-pos-HFD-Drug-316 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-316b Treatment:high fat diet+AC261071 RAW_FILE_NAME=C18-pos-HFD-Drug-316b SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-417 Treatment:high fat diet+AC261072 RAW_FILE_NAME=C18-pos-HFD-Drug-417 SUBJECT_SAMPLE_FACTORS - C18-pos-HFD-Drug-417b Treatment:high fat diet+AC261073 RAW_FILE_NAME=C18-pos-HFD-Drug-417b #COLLECTION CO:COLLECTION_SUMMARY At the termination of the treatments, after fasting overnight mice were CO:COLLECTION_SUMMARY sacrificed by cervical dislocation and liver samples were harvested for CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Wild-type (wt) male C57BL/6 mice (6-7 weeks old) were maintained on either a TR:TREATMENT_SUMMARY standard laboratory chow (Con) diet with 13 % kcal fat (diet no. 5053, Pico TR:TREATMENT_SUMMARY Diet, St. Louis, MO), or a high fat diet (HFD) with 60% kcal from fat (diet no. TR:TREATMENT_SUMMARY 58125, Test Diet, Inc., St. Louis, MO) for 4 months. Two months after the start TR:TREATMENT_SUMMARY of the HFD, the mice were further split into three groups for 2 months to remain TR:TREATMENT_SUMMARY on (i) chow plus drinking water with 0.2 % DMSO; (ii) HFD plus drinking water TR:TREATMENT_SUMMARY containing 0.2 % DMSO; or (iii) HFD plus 3 mg AC261066 per 100 ml drinking water TR:TREATMENT_SUMMARY with 0.2 % DMSO. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The snap frozen liver samples were incubated with 600 µL of 3 mM monobrombimane SP:SAMPLEPREP_SUMMARY (MBB) in CH3OH:H2O (80:20) at -20°C for 2 h, followed by 1 h incubation at SP:SAMPLEPREP_SUMMARY 0°C. This initial incubation was followed by tissue disruption using stainless SP:SAMPLEPREP_SUMMARY steel beads in a TissueLyser (Qiagen) and an additional 30 min at -20°C. SP:SAMPLEPREP_SUMMARY Extracts were centrifuged for 15 min at 13000 rpm to pellet insoluble material SP:SAMPLEPREP_SUMMARY and supernatants were transferred to clean tubes. This extraction was repeated SP:SAMPLEPREP_SUMMARY two additional times and all three supernatants were dried in a speed-vac SP:SAMPLEPREP_SUMMARY (Savant) and stored at −80 °C until analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The mobile phase for ANP separation consisted of 6 mM EDTA and 0.025% acetic CH:CHROMATOGRAPHY_SUMMARY acid in isopropanol:H2O (50:50) (solvent A) and 6 mM EDTA and 5mM ammonium CH:CHROMATOGRAPHY_SUMMARY acetate in CH3CN: H2O (90:10) (solvent B). Gradient steps were applied as CH:CHROMATOGRAPHY_SUMMARY follows: 0–1 min, 99% B; 1–15 min, to 20% B; 15.1–29 min, 0% B; 29.01-35 CH:CHROMATOGRAPHY_SUMMARY min, 99% B. CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Cogent Diamond Hydride™ (2.1×150 mm, 3.5 µm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE Other MS:ION_MODE NEGATIVE MS:MS_COMMENTS Agilent MassHunter Workstation #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundance MS_METABOLITE_DATA_START Samples anp-neg-Control-217 anp-neg-Control-217b anp-neg-Control-316 anp-neg-Control-316b anp-neg-Control-317 anp-neg-Control-317b anp-neg-Control-417 anp-neg-Control-417b anp-neg-HFD-216 anp-neg-HFD-217 anp-neg-HFD-217b anp-neg-HFD-316 anp-neg-HFD-317 anp-neg-HFD-416 anp-neg-HFD-417 anp-neg-HFD-4217 anp-neg-HFD-Drug-116 anp-neg-HFD-Drug-116b anp-neg-HFD-Drug-217 anp-neg-HFD-Drug-217b anp-neg-HFD-Drug-316 anp-neg-HFD-Drug-316b anp-neg-HFD-Drug-417 anp-neg-HFD-Drug-417b Factors Treatment:chow Treatment:chow Treatment:chow Treatment:chow Treatment:chow Treatment:chow Treatment:chow Treatment:chow Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet Treatment:high fat diet+AC261066 Treatment:high fat diet+AC261067 Treatment:high fat diet+AC261068 Treatment:high fat diet+AC261069 Treatment:high fat diet+AC261070 Treatment:high fat diet+AC261071 Treatment:high fat diet+AC261072 Treatment:high fat diet+AC261073 1,25-Dihydroxyvitamin D3 627.5085339 885.3895343 984.1079711 837.4327678 318.1121017 1718.766596 1946.32236 1793.35657 2595.551411 3710.212208 3211.021945 3125.817811 2515.592737 3445.320713 10791.77197 2987.469491 2449.489763 2709.149498 628.7342475 2907.262147 950.6938984 2038.829887 738.6579656 1618.531684 10-formyldihydrofolate(10-F-DHF) 27911.50109 25555.84142 25232.816 20350.70223 29427.85907 19472.33657 28098.05113 21985.93977 31093.07129 8246.37985 6472.380457 9200.770461 11299.79098 10225.85116 5289.227407 13058.88135 6873.291971 7237.582501 14301.6682 12162.64039 15288.88255 14466.57668 7720.322975 9989.626065 12-HEPE 3596.290825 2288.638697 3322.805466 3265.443507 3894.538859 4382.683659 10377.1443 5677.113476 11507.80087 10940.57658 6745.869386 16977.06416 5310.631535 13979.85654 8325.518417 9048.978098 17439.96943 15890.18328 9327.465611 8655.75759 9785.349031 7584.366927 7593.243867 8064.390973 17beta-estradiol 3-sulfate 109135.7891 93536.09112 140727.1515 154517.0818 118218.4453 85516.56123 137277.8463 135097.8346 167732.4265 50616.85358 43358.35829 82427.94 35200.41956 76910.80844 79751.62584 53200.93803 120939.892 118710.0218 93591.05639 82196.77469 72045.2309 57560.66863 65661.54783 45561.09981 1-Oleoylglycerol 160.3113467 1144.872878 1727.299727 396.955144 618.8381273 1422.418718 2454.108465 2797.663428 2832.848615 690.1130751 3809.757466 2175.735549 2807.412356 3251.878498 6101.83583 3815.293374 4190.652047 5570.168305 2248.913268 3376.266221 1447.989877 1264.013722 2395.27743 2097.450392 1-Pyrroline-2-carboxylic acid 82010.90859 81485.02864 58139.17604 85572.5549 119837.6876 126635.6828 129018.7649 123270.5442 144969.7539 78180.52435 38597.4658 17266.16041 92155.8547 54549.96746 106322.544 64706.00186 55032.47045 55286.43545 139760.7291 156445.8953 97075.0674 144280.4223 54847.83688 39560.04374 1-Pyrroline-5-carboxylic acid 22354.63981 41311.81219 28597.96912 44935.44495 63072.61788 45728.05564 48166.10299 25918.42842 28470.12089 35535.38883 29398.2713 25297.71736 35306.83968 29996.13378 35390.41277 29662.36004 25871.67711 51685.9126 69102.60557 40007.03073 29100.23281 32824.66044 42545.324 39698.71192 2',3'-cAMP 1017146.52 899274.6561 719251.1151 791967.5289 984813.5101 782067.9826 1262105.837 1031966.257 587331.759 547793.3227 1052344.099 665206.4755 677730.8244 419981.2417 892406.4742 750926.291 634474.6137 782815.1356 672134.4624 717140.8819 707725.5169 442021.0943 351981.5038 2',3'-cyclic CMP 27261.61707 21614.56557 8804.963356 9224.638074 24305.39158 33344.67299 98575.91445 45755.74915 19735.78943 2385.590035 4557.415085 5501.663864 2036.295354 3982.558095 23396.64418 5851.937641 8556.140091 8721.641504 15817.17939 10844.96993 17392.87903 15782.11783 30728.4914 21038.92881 2-Acetamido-2-Deoxy-beta-glucosylamine 12254.74397 8289.412826 98900.28498 106672.9086 123730.2061 88939.44704 10144.30492 9661.843821 26119.08362 31894.75221 57593.49412 118454.9612 133501.0179 96941.95416 15115.2291 2728.46444 825.8566115 69090.63628 60944.39212 19855.23533 14413.24848 12771.84973 6283.749148 2-Aminoadipic Acid 1859461.073 2180502.189 12066795.44 17049152.53 917822.3115 898075.7152 4459278.687 4179532.542 313321.3103 263911.9525 373719.2446 528798.1801 266116.1647 1169525.761 683439.8524 6354761.886 8371705.312 2411645.702 2363735.475 1173602.171 1227372.85 5680975.829 5065983.068 2-Aminobutyric Acid 35062.25354 36963.11516 49821.97107 61552.47051 34257.74269 38776.94004 33116.13438 28499.23218 31171.65686 16869.83163 24071.29929 15062.78101 27863.356 25581.87671 13874.86854 15462.58317 26210.16116 42699.82028 17387.74975 23715.13336 23787.35066 31670.8377 14529.14637 17761.05515 2-Aminoisobutyric acid 56822.28001 68512.09257 421219.2242 449463.2762 182903.483 172932.3397 95197.03829 92409.11773 140077.7842 212532.4243 142813.4307 58644.17254 187369.2872 71960.91212 121335.139 70748.83759 217595.8075 308864.351 148558.6598 150528.6051 179943.2014 183577.7865 127460.0331 123156.4907 2'-Deoxyadenosine 297329.3962 307335.8649 282800.3839 277201.0215 380563.6848 361742.6321 348619.7889 375363.5561 300525.5272 269750.1391 262733.6073 286010.2657 286979.5127 300790.0345 343250.8795 272373.0561 252648.7253 268528.5106 353032.6397 358222.6252 285788.817 281279.6451 392332.9871 382493.1886 2'-Deoxyguanosine 187265.3612 192996.8558 255354.849 158634.6071 223632.6334 197721.2517 197551.3216 200646.5601 212586.8378 152908.1769 176393.7336 180100.8406 187603.7682 166459.7793 157676.7216 173594.6917 142223.3054 130283.3572 216459.588 202592.5606 143076.7686 96619.1245 270397.596 324320.9874 2-DHLA-PAF 1450111.664 285998.1805 1163446.354 729645.6667 1859845.27 1252363.882 1056015.692 106232.7073 1589326.784 1364656.045 75542.24343 2186402.274 880085.2817 2193052.295 494739.6363 1284903.887 1435600.127 700226.8407 960727.7229 134868.3156 846685.4146 160559.8402 582507.1723 38224.9968 2-Hydroxybutyric acid 63495.39242 86287.53498 210024.3597 264518.8533 77752.23164 92289.2599 36105.53943 50887.09467 46149.72489 25572.6185 32981.48972 47676.2339 39309.77652 85714.44466 19656.40047 38572.91922 49244.42737 69859.39669 84975.64398 94765.15984 54256.87793 68386.8703 93110.46808 104600.6003 2-Hydroxy-glutaric acid 454890.1861 458419.9266 672658.0851 836026.2605 1216349.886 1351420.879 936814.9066 815969.6893 883545.3319 689816.3208 528151.2299 883946.6086 570995.0603 1006182.649 682212.6799 631281.7746 552447.8678 690685.5207 697364.7565 653081.1866 1086353.996 1093390.956 917530.9818 726759.7214 2-Methylcitric acid 58944.0624 51049.80065 67772.80157 84081.02869 142859.999 149890.4355 72929.66833 62623.99284 80840.71207 70379.71127 64665.70785 7901.456469 109355.8305 50685.55545 84622.42832 53311.24463 17143.17722 11272.22855 89492.2684 94109.23337 75648.04999 66836.55523 45360.1999 37002.16676 2-Oxoadipic Acid 199201.0685 212126.2455 1359841.272 1448231.73 141226.952 131939.0213 304439.5823 348601.1149 342575.1405 48328.17129 45785.79135 84742.20778 63575.77942 31782.3282 116070.8838 114114.3565 580371.1481 538615.8696 159350.5462 169045.8149 151023.1255 191057.4214 444871.6664 432906.9098 2-Oxoglutaric Acid 1252859.409 1537873.561 1030618.711 1164754.578 1074121.637 1028554.324 1778444.034 1919033.775 1254815.433 744052.5266 811358.1793 1062481.779 894016.5575 512377.1871 606490.4802 862748.1608 730708.7511 766437.4976 625227.0038 630860.3641 730622.2928 729310.4594 1184469.477 1059664.215 2-Phosphoglyceric acid 1115480.82 1480207.416 683703.9898 1274706.294 2998908.635 3276595.803 1554505.875 1599444.956 2891756.868 2885472.82 2110202.89 3679864.663 1832902.797 3621631.612 3276020.201 1521097.184 2258295.729 1575557.69 1654649.062 1984473.063 2646201.46 2078112.147 1960796.814 2-Pyridylacetic acid 2375761.454 3195514.327 1872532.187 2791373.875 2768698.78 2972539.989 3334726.269 3955090.218 2949909.637 1923476.189 2118698.4 2400602.625 2231558.337 2320411.661 2881003.014 2259371.322 3945795.889 5307661.601 3809504.695 4307182.828 6692976.992 8067816.656 3855379.332 4254898.945 3,4-Dihydroxymandelic Acid 517250.7212 547871.8479 459255.6964 585018.5346 536986.0246 497331.6985 567884.8233 562643.1194 549003.316 363122.6654 355419.7429 512236.3358 406755.0927 456754.3172 390315.5186 435413.7062 362582.0012 392320.7674 460714.2969 433142.8072 353625.99 349348.2274 334931.1192 320164.2339 3',5'-cAMP 9775733.578 12205117.4 21078037.77 23078179.74 2326864.325 2608857.367 4459071.693 2984928.425 6360802.43 1580849.816 1604916.942 507942.5213 947825.8248 572644.0457 636517.3224 1581219.478 1955812.081 2253541.104 8880540.023 8258311.695 8998902.199 10043097.47 7790465.226 6594005.255 3-Dehydroshikimic Acid 230184.4654 247045.0372 204442.6465 222878.4871 247534.8511 234770.5464 294071.8676 336944.8625 331999.7216 67056.249 44245.85152 58383.64969 113657.3359 68367.76841 46033.96327 74038.42097 101642.567 49998.59946 45239.13891 49790.18953 39160.071 67498.219 41246.56337 52001.193 3-Hydroxyanthranilic Acid 236648.182 245734.4876 52679.6002 79614.42798 465970.4183 445770.1121 473063.003 589752.6367 208498.4442 180232.2293 110530.9847 204588.0384 192174.7384 136381.741 131878.0065 174845.7249 119345.4622 228563.9492 296891.1339 252181.3614 175843.1534 186850.8511 248254.6874 249339.7642 3-Hydroxybutyric acid 3055252.333 3671093.851 4500078.828 5116841.494 6645649.98 7379307.003 5587121.39 6302185.717 5512789.212 2674063.946 2650782.121 6703644.294 3072618.423 8348299.952 2969051.62 4020165.763 11192463.01 13105045.28 6459159.72 6999652.977 11118711.69 12061488.73 4687254.189 5124452.294 3-Hydroxymethylglutaric Acid 96380.12322 141121.5747 816211.5943 960043.5781 89212.11281 88654.19811 162863.7731 220205.9686 179286.3131 717268.8204 700244.086 836818.6627 891230.4021 786049.9787 2077931.413 873506.8164 979096.8355 1257433.931 199622.1647 237875.3597 274111.8945 267984.9542 206308.9338 181604.4947 3-Hydroxypyruvate 352411.3076 498316.0392 235928.4638 342488.8245 718483.2894 885707.2006 498090.2138 545890.1362 336509.1255 318271.8385 289955.8103 234436.6407 336731.3893 241215.1093 430006.3859 313304.4131 236471.3896 373259.7378 374065.4503 350309.583 614783.9059 677310.3592 569683.6454 589226.1521 3-hydroxytetradecanoyl-CoA 43936.25241 42991.68059 19217.93657 20157.90721 49709.70356 51014.83322 21336.14322 15820.00566 23493.36424 19969.63903 19873.22889 17039.25132 24270.28432 25249.58275 13629.72154 21717.96116 2875.401342 4759.18757 21083.05136 16444.64111 20146.34304 16706.01886 3529.510718 7934.347079 3-Methylcrotonyl CoA 56615.33842 62665.41481 57586.99301 58296.63525 45741.4582 41925.19218 49088.46285 53284.95321 51056.89917 34767.1184 45610.90993 24166.77096 62252.46371 39888.01856 50127.80036 27692.82742 44738.25092 30070.62537 51081.40375 54233.62857 58197.94691 58437.27558 44884.68612 43567.20323 3-Phospho-D-glycerate 1127772.68 1496572.685 692600.9354 1289894.743 3026965.297 3307234.954 1569002.654 1614760.048 2920597.137 2916958.775 2129943.388 3711721.453 1849799.087 3650133.754 3310005.785 1534788.284 2280035.443 1590590.796 1672937.888 2001553.039 2671371.362 2096892.624 1980941.706 3-Phosphoglyceroinositol 7621065.443 7539049.504 6181123.07 7883559.051 9685358.682 10913488.76 10396348.8 8768516.613 5852429.36 6299853.883 5384348.38 5289834.162 5317717.309 5296127.78 7963649.681 6502489.955 4305294.233 6292708.203 9803889.162 8967014.116 8871723.526 8859292.959 9226408.334 7639116.364 3'-Sialyllactose 654880.2172 756458.0169 998953.0079 781796.7811 690919.416 826921.3529 1107584.544 911499.9716 671637.9422 421518.5834 404836.4123 386599.4696 555097.3038 324609.996 676478.8466 506045.7759 381817.4959 486400.7034 473231.3806 477112.8957 356000.6914 362348.3408 552311.9801 512004.7228 4-Chloro-phenylalanine 254647.5134 215772.433 221861.4297 158547.1809 223637.3265 191626.7715 280354.3867 281776.2553 203092.1889 167150.8745 138657.9363 200689.7296 126390.2387 156200.2486 181397.787 126533.5529 203722.2153 173057.6581 238865.2559 182256.2765 202864.1333 150118.5157 147035.3789 120313.2295 4-Hydroxy-2-oxoglutaric acid 56860.7134 70369.47288 51226.35382 67713.09808 83803.97279 100950.0634 58407.69436 71942.21721 46406.0035 73559.48543 96732.52174 49168.89956 115038.9075 73199.28373 68762.79914 82728.84949 60477.59519 70714.043 92696.19068 109300.2863 101005.7671 125764.6249 84511.35719 88570.60315 4-Hydroxyphenylglycine 1151737.876 1062662.705 886817.502 820167.8985 1113655.232 914786.9843 1426633.972 1135434.015 976789.3226 997494.5594 729909.4809 1117335.053 716703.4406 897606.5397 718959.258 784823.3416 964081.8391 869681.3642 1319889.92 1006524.03 1159414.442 949686.3053 1066770.158 810619.2116 4-Imidazoleacetic Acid 28139.7531 26818.8936 15823.0942 24384.72916 48999.316 53270.48566 97575.83282 90000.76149 91935.91918 35179.40264 31120.45231 18913.6015 55241.67762 30724.97458 51547.08694 66988.26822 71653.79783 91461.25641 86188.76942 89251.37272 87690.86163 73252.63988 104386.6582 113637.0585 5-Acetylamino-6-amino-3-methyluracil 27829.5887 20358.73879 10964.85862 23422.10547 18083.10422 21219.36458 23161.21952 15178.08478 20733.0611 14947.86408 17539.09549 27012.71817 22945.56039 22469.68578 17657.77586 24573.77063 14899.85249 16575.70885 20294.73471 13360.32835 10243.07453 1249.746017 17258.38393 16228.60311 5'-Deoxyadenosine 23172.10094 32034.52797 37581.24696 41267.97977 31609.70435 38554.30675 28967.68668 25449.62478 25781.68629 14992.26702 10845.28134 19983.00861 28577.48685 30877.22798 26377.78341 24520.02558 21132.38559 22427.00049 36722.70939 30652.08281 27092.64514 26339.23949 25133.69477 21325.89224 5-formyldihydrofolate(5-F-DHF) 15217.89445 12716.13108 9954.369163 12324.44175 14551.80389 13725.50684 14239.08377 12167.47918 15275.88218 25905.80373 22293.77714 16274.49578 19715.63402 14339.59758 24950.48 16537.80143 18669.67639 16880.0481 20837.7354 14858.76148 16866.34582 15654.05186 13654.20538 13984.86222 5-Hydroxymethyluracil 898948.5821 1178089.951 70580.52373 71579.71069 24281.55763 30816.38419 1703614.619 2113205.031 404739.6757 85464.76527 78336.82977 90237.99617 30266.73787 26542.07294 22963.4258 74504.55682 542677.6997 727405.6706 63005.07631 67226.32895 132083.67 159807.3512 196534.5406 219872.6309 5-Hydroxytryptophan 44539.62161 40040.83902 33386.19242 35502.29707 39476.44404 50093.44114 54094.76861 52660.44705 40869.87727 23767.07154 28326.7301 35778.90222 26968.85373 28167.98308 35350.98852 24922.48017 38812.7151 32848.06485 42932.71632 33166.72379 37922.1349 33200.47366 43918.38168 32209.16402 5-Methylcytidine 38123.88717 30462.31152 23034.22182 17443.22345 32563.52011 59788.54078 10368.44194 4586.158952 2344.44147 4439.347791 4720.954783 18066.79981 10629.12309 46217.85316 31066.25125 26751.04219 15518.26055 22007.4202 32081.63801 5-Valerolactone 96570.6134 120576.939 82269.46575 106783.9334 101484.655 94140.45919 120469.8989 125576.0338 111809.1479 82397.76263 80607.76984 100145.9341 117486.2934 80558.52538 135463.0997 111395.0389 101595.7957 118173.6365 90654.66896 129552.2035 105438.981 97220.27291 104512.3685 92837.17553 6-methyltetrahydropterin 1651.001277 266.3595223 1230.897538 1531.694721 8466.198181 14338.5875 1267.212754 534.2009384 1788.912609 4575.631771 7876.45615 11280.96298 5299.221108 7695.542412 3567.770187 4821.900817 2726.767004 6931.910369 3567.448221 7206.105985 1602.679776 5060.163162 3297.646657 4749.027252 6-Methylthiopurine 107364.6759 146264.202 111504.5657 168479.9239 147626.3094 75013.6094 123293.214 150752.8897 105248.4091 14691.22207 13892.137 43863.33633 161376.0291 115087.9174 167016.0095 17975.62705 150600.8908 35157.68068 188626.9761 92203.99731 153515.9605 48313.67006 76164.73822 17565.68007 6-Phosphogluconic Acid 267677.2991 298994.3602 270107.2386 387558.4529 318619.9985 339152.925 289380.03 286943.8399 254242.144 591743.2222 592730.5318 445351.6015 739413.6338 402794.7245 623508.9856 710465.7187 420825.7657 564112.5516 440734.0944 446221.4036 391683.975 461253.5875 438260.7123 433624.0631 8-epi-Prostaglandin F2a 3897.830144 4521.724117 2839.775436 1460.060238 7712.707784 8313.389947 13021.21387 10566.16246 10706.58179 7094.209979 8013.986645 8793.377625 5712.086553 8465.258612 18778.14971 10910.8322 10847.78322 12584.45176 9386.657599 11581.28638 7547.466514 8460.457465 7533.39238 9811.234602 Acetoacetyl-CoA 4651.692639 5394.386125 2641.283209 2545.465536 5074.949431 4447.186889 2874.553778 3154.086164 9577.423979 7012.087931 14379.06584 7542.398883 6990.694192 11206.40693 5014.977535 4602.917153 4131.658183 7554.984996 8659.915379 4669.48236 3796.269122 7842.185564 7525.066456 acetylcysteine-succinated 46408.00245 47650.52533 15392.85799 19385.33627 36166.17401 35929.18576 54877.63285 45850.57033 29349.24416 68195.24034 54925.43195 34818.57531 65439.30669 39692.17088 36593.17142 59638.40172 21912.37092 21026.27062 43049.2273 34860.35622 22438.00704 22567.61278 44180.51804 37495.92418 Adenosine 263226.8322 320419.7343 144930.3974 158826.5651 82235.11714 91308.48217 221053.3909 211699.0751 151049.5189 90526.19997 95739.91478 58466.63539 57632.3712 43646.11376 52959.83688 68792.94645 102953.6766 110608.8233 115530.2589 127120.7093 81553.54986 121294.7006 103077.9361 108341.4272 Adenosine 3',5'-Bisphosphate (PAP) 693119.7615 836386.9982 243892.2614 362631.0671 1097192.168 1200532.38 896155.1189 881333.1194 520824.044 524891.9224 513784 836161.7351 609034.2228 462380.2947 807985.5429 556550.5785 740839.3163 841881.9276 831587.5274 1112820.624 1415889.175 1104553.572 1023320.95 Adenyl succinicacid 1046310.597 1248634.312 887815.2084 1170703.347 1260498.178 1346796.226 1467806.57 1442284.366 1467090.539 785282.195 790354.5931 508558.6355 1189296.524 676552.255 712535.6985 1348036.827 591549.4535 771626.3581 727210.3256 771481.193 1490051.64 1870019.791 1589044.511 1560848.4 AICAR 20692.03475 22810.69917 61456.85153 79153.91376 33829.96066 32792.39626 20730.04087 21537.11054 46329.55755 96990.64744 85456.77943 142546.2247 104502.9605 85517.35853 94029.61822 66577.33403 57616.89101 73170.72399 64849.22482 57797.83301 49746.18884 53515.93827 50713.39812 46658.43343 Allantoin 702075.0891 904305.2822 1088619.996 1201681.348 1189700.066 1179332.142 1198259.554 1750868.457 637480.9178 2085349.465 2312106.382 867279.7639 1092435.321 782711.7361 800609.3904 1102812.517 761728.3868 915266.1674 1011425.793 1102707.812 950695.713 1168881.04 775947.2391 924555.0591 AMP 63710764.92 66332357.38 47030122.07 54461623.15 56759235.14 54185145.43 62561556.78 59477015.6 48657831.53 35201102.99 33010641.08 47812824.55 39398456.68 49069157.87 38206251.73 35374450.39 48691072.89 55152288.47 47925904.25 45266947.13 60596041.52 63237340.35 51862524.12 46870425.31 Arachidonoyl-PAF 3055235.809 752891.2455 3371913.215 2123742.259 3978092.641 2760470.295 2865694.525 549000.6085 4159380.35 4106691.759 462028.7717 8147877.53 2939523.979 7459553.397 2310638.629 4681831.338 6584627.127 4377278.081 4759982.575 978009.0586 4287541.895 1403223.124 3388785.846 595711.7521 Argininosuccinic acid 24701.37481 29166.40692 35030.89152 48403.32717 12017.23451 13857.17906 23464.37596 24157.44465 26160.94025 15383.35697 14907.09413 9681.51643 15841.82534 11234.67917 13365.47643 16245.69501 11337.33078 17341.11566 10465.62726 11521.85196 16911.08746 22258.17944 9523.785315 10000.39441 ATP 754661.1868 885685.6088 789295.7119 1093042.183 1574828.314 1516298.127 1040382.919 1057245.294 772635.9968 2288738.896 2227845.214 1655605.662 2935449.363 1391879.675 939853.8218 2588798.624 850236.9146 1218380.522 1132661.729 1135329.52 1040748.023 1130501.456 1215878.792 1166625.807 Benzoic Acid 38203.53693 31909.96459 55645.99631 71942.54819 74731.35799 64014.52071 79035.97923 75867.51036 54552.40007 121741.4563 143989.1884 114275.1673 79945.40966 101321.3854 92861.48416 107743.7634 86516.26014 125425.3002 74808.54801 74775.43109 92398.10698 79836.37751 37378.46952 41670.18194 beta-Carboxyglutaric Acid 328001.5642 319486.3892 169144.9003 203040.0557 810628.7865 818904.0516 546964.6961 521228.1092 411459.1529 311474.7242 284046.831 839481.1025 293185.6024 772701.9858 266868.2396 190942.7318 162697.9683 178623.5746 332668.7759 328603.6352 343743.6479 360922.5368 190783.3857 152082.6059 Betaine 170999.9975 194594.6907 363352.4229 494079.6392 236694.7808 215197.8128 264031.8848 230432.0189 129579.2545 144292.3029 116652.5826 269183.0441 119277.1615 188711.1292 115705.2137 145167.822 435678.414 447134.7593 153050.4245 146999.079 191012.5369 194729.9805 193790.1453 178053.8023 Butyric(butanoic) acid 33189.69042 29738.54144 40100.63974 46968.67999 35678.54728 35119.14151 38309.55666 44295.41003 45016.26449 47478.76233 42694.17808 65260.42967 71577.79745 43442.58797 36782.03241 45923.68916 43914.40248 55565.01439 65403.02271 63396.55094 102168.209 107234.5862 24210.59975 27880.7878 cADP-ribose 1285074.819 1501338.648 1334820.998 1542499.519 830272.8341 894442.3306 1265557.757 1164017.1 1174072.89 2437318.367 2379249.617 1300907.276 1455630.487 994577.1469 1067862.637 993042.9458 508190.8271 657450.2307 1145678.675 1199356.126 1098222.878 1223122.095 1264333.427 1233365.406 Caffeine 8893.213521 10945.26368 15201.37025 10284.95045 11124.8183 7056.133199 7964.708 17494.68309 10735.72086 8109.600898 5531.499319 8014.097317 5844.304718 7712.319633 3728.030432 6101.628391 5890.629473 6213.823943 7040.729162 9096.470426 6463.387636 6509.54167 6331.602371 CAIR 331077.3553 305154.0295 251481.2133 193491.7095 260152.7248 205725.0314 440147.4898 486113.1513 308487.9961 133468.8622 109355.6353 180105.6204 106594.2138 146462.7937 184470.9797 105513.3764 197579.2483 147987.6665 255279.0278 190936.7808 172564.0827 114741.2712 193109.0201 141602.3072 Carbamoyl Phosphate 26303.75431 28619.1803 37666.50443 52242.29403 31686.01687 28193.09898 22259.82814 54157.99105 43185.63757 13770.47811 69902.42398 15317.63161 26739.58814 32992.10943 14850.90361 12604.14121 6776.818858 12056.91015 13806.25137 11067.87892 Carnosine 80324.20141 108699.6011 48862.37362 81088.90875 88385.37316 87725.23668 89090.88791 90422.30609 72962.14294 59509.83374 87810.1117 75622.38698 126678.2762 64513.50396 113001.3617 84237.97769 57682.89858 90186.01185 81091.89278 82909.1785 87428.21732 73985.88654 77140.49269 104322.5275 CDP-glucose 34181.7842 37420.94811 47459.85066 53500.8027 56971.69349 50793.19277 27508.4055 32016.99593 32616.6944 55769.28425 62652.95376 14818.28247 81671.69634 52751.44188 50149.53747 38398.54769 15480.51193 18946.95414 34378.26834 44458.86152 35012.96847 44468.75139 25452.37833 26238.47533 cis-Aconitic acid 303859.8049 223745.1122 143003.0004 142841.9353 181426.6063 176681.006 557487.2747 436151.9862 257816.6515 283996.5619 219833.3705 1369577.015 461029.3022 513477.913 273662.6523 172382.733 1331210.489 897099.4104 172218.2083 126943.3643 153259.8594 114979.6081 417313.6779 266292.9922 Citraconic Acid 47532.967 81542.75509 51807.85292 62990.99764 100409.5255 151289.2099 158366.9427 163452.9311 52474.04468 242008.1199 261385.7198 142899.1904 257752.9065 166142.9221 187135.1373 166993.052 85333.38677 101234.8482 134594.6063 222750.1955 132625.7501 169510.247 101495.4743 111183.5023 Citramalic acid/2-Methylmalic acid 73209.21629 199126.4636 88672.50352 140421.73 104300.866 134267.2532 139955.3267 244541.7204 206068.6712 319277.4702 105644.5641 338668.8216 166679.937 237080.964 172905.2018 99906.41769 169499.8964 121476.1204 259179.2133 126018.7596 247535.6479 219274.4487 301825.7613 Citric Acid 61748110.56 66910921.33 22709633.68 31873869.87 46746767.09 46088358 79654823.07 84557377.31 40326943.81 47524979.35 48128858.53 115800654.5 76128585.45 80907964.53 54530707.32 60590537.61 100242201.3 109303466.2 28510602.04 24802772.42 35841447.35 38207865.14 77605902.83 74940236.59 Citrulline 222577.7078 246466.3675 155595.4881 203968.518 145329.5844 132737.6972 141409.6977 138997.2424 133043.1143 93626.95965 84127.39383 84274.82208 72560.35913 95924.99584 78354.73087 104690.5488 81325.43965 108162.7788 132539.2713 106367.978 163009.0718 180004.4152 110044.0404 113587.884 CMPF 105671.3228 84669.76694 359772.1986 190540.6161 110433.3419 69807.49567 56848.05623 46431.17631 175376.6083 42927.44016 19130.6178 57613.25151 176988.9229 103228.4844 140273.3608 41804.37647 436588.0527 484598.6426 160772.7754 184950.7096 359057.0403 329738.6221 98151.33548 102865.2665 CoA 1775154.804 1804999.014 839291.403 898134.9182 1610435.733 1463651.008 1976688.284 1639122.868 1442394.163 1070025.56 963398.5695 1435390.96 1253356.457 1278029.841 870771.6421 1089362.275 1406758.284 1615075.489 1437602.007 1346843.995 1381480.101 1396282.614 1124102.875 1047639.117 CoA-Glutathione-2+ 1181074 1521631.061 411345.0097 665365.4945 1644554.081 2002611.758 1608438.905 2046721.946 1190156.229 660458.6314 822104.6711 815499.7314 736685.3503 780588.9783 614091.328 1339768.848 904221.9056 1353665.331 1425414.756 1686906.48 1617030.324 2568134.463 2284709.869 2703791.134 Coenzyme M 20914.53771 22039.5275 8707.412074 14836.35692 29866.96421 26119.42549 20693.62111 16315.60165 32488.89338 45065.1698 39041.73239 59376.59001 31332.91821 19693.6184 9879.174912 26907.99847 43932.19039 52929.96416 25630.76016 22669.28451 58793.15191 51505.50878 20395.13312 20162.98162 Cyclic GMP-AMP 13209.23086 20931.33216 11983.85289 11484.62455 8139.362679 11499.9281 12303.28037 20978.71981 10984.74587 4102.860858 7089.208461 5585.267975 5819.346443 781.786206 3937.294405 5223.833571 8619.512295 9584.033262 7695.100776 8542.877692 11534.65342 18406.82935 11189.15713 18063.69668 CySO2H (3-Sulfinoalanine) 48248.3193 70263.81027 36089.9859 34664.19566 58222.144 52039.25469 27892.05652 32909.51524 37557.74976 60372.99216 51930.98251 47101.63961 34007.18477 66582.33652 28958.8117 49118.59731 33595.75229 76610.55253 32173.69056 44773.78483 68368.65291 59064.3635 35155.20834 44345.64809 Cysteamine-SSH 309741.6474 334614.8937 203300.0155 266535.3347 661473.9272 666815.3997 559121.012 493808.4385 479186.3734 119457.4236 112540.0975 190852.5521 214216.5575 257730.139 183633.0093 193424.6995 391559.3656 461725.4289 459212.1183 465959.668 647140.625 723927.7915 629797.7401 565816.7046 Cysteic Acid (CySO3H) 31366.49335 33372.64727 11238.02861 20324.4945 35251.88495 41800.8014 33280.0271 38767.12769 17077.47619 38165.44374 53870.61751 23151.43663 41956.36835 30418.29636 53559.20905 33270.26415 11800.0491 14771.75688 26394.79315 33631.87716 23452.29115 18718.63748 33615.61172 33331.83718 Cysteineglutathione disulfide 299651.3859 403634.0528 204454.8433 315705.7999 748141.597 794432.2712 393290.1707 402768.0526 178201.6165 348762.102 392367.8779 305822.1181 483796.7003 581896.109 423418.5852 421787.1491 168190.9915 256294.0154 519366.1065 593997.4533 465511.2823 680663.5914 589149.2561 556206.7609 Cysteine-S-sulfonic acid 4260.976898 5923.414427 5804.602887 5616.938218 3385.203333 3453.668448 5916.342797 10804.16774 7169.83704 5186.635498 4631.193014 3997.431261 624.5794548 1338.455741 1002.447809 781.6614544 6885.740631 7789.741022 5813.174177 6834.39671 3102.397743 5463.237479 15956.76198 16738.414 D-Arabinose 31636.65176 32242.89138 56549.02708 83329.52413 30323.17743 72120.82979 22784.065 59885.13232 37376.02842 99289.40467 74961.61879 60930.46749 112206.5102 69494.7383 158041.6333 77350.26381 47252.63701 82402.70897 51152.81051 74865.23828 45049.63334 68143.6328 70146.85794 73780.59113 dATP 37148.71755 32560.76159 25312.99461 27544.93083 36078.60007 28155.13535 31116.60953 31677.7578 33663.72852 30674.90691 22087.18569 30448.01233 35555.22722 36926.36084 31878.1598 24099.95141 32199.55918 29598.82268 38612.73241 23660.17823 32398.22127 32781.67714 31343.61902 23492.45225 dCDP 736478.9917 590892.6144 807790.3553 662053.2474 707313.854 551136.0782 631929.6954 499654.4764 744117.7747 527405.4288 413979.8832 722824.647 535862.4968 796520.1854 546630.8901 551521.5361 768771.7306 634141.2153 747263.528 576605.7501 683056.5692 514441.0109 633955.6383 487721.7553 dCMP 12765.49008 16896.91109 7455.376925 12157.35836 9839.70845 13772.40666 15486.91944 15604.1563 7639.939728 14424.43254 13704.13176 10070.96871 14969.89231 10605.24213 13070.27799 13956.51242 8295.790775 11883.96889 10291.25582 12222.81667 13653.29852 16911.3854 15870.17043 13927.52271 dCTP 250463.4569 282567.1471 279535.5356 321768.0914 332496.5418 281437.4626 240417.9463 236319.0163 273607.7302 256025.3301 235757.4942 347160.3508 256014.7264 274778.8471 256749.3526 230522.0366 245755.2528 221957.2993 302130.9773 209667.2072 244096.7731 221255.6055 240304.4136 261361.9368 decanoyl CoA 75701.37182 65920.94188 41882.32963 39705.92124 109517.0714 91143.22651 109051.9818 68169.45385 79215.22344 134376.2768 89633.79341 99569.3486 117625.2585 119223.7015 107325.0617 87695.87803 76938.44968 80592.01616 105878.3295 81995.22182 85691.45811 84216.56357 103054.8053 79273.99922 Dehydroascorbic acid 2315694.65 2331508.32 2165967.813 2373114.58 2513469.632 2224528.638 3756264.264 3497621.574 1636078.496 7035966.155 6250490.178 5311888.676 6041894.695 4376863.403 3479880.49 5250996.283 4355281.184 4760848.406 4953129.053 4257586.763 6994200.53 6439583.968 5810221.666 4949590.286 Deoxyribose 57177.92685 71981.04931 46140.74574 57360.66357 78930.88199 89856.6772 81554.18147 90146.69153 60895.01003 65039.18632 56371.18232 53276.78074 39437.55869 49338.61958 66358.61916 47809.91434 44806.72692 45072.93403 42370.89465 54746.32455 38760.08389 38648.4733 32670.35346 35785.3721 Deoxythymidine triphosphate (dTTP) 98776.33646 100140.2762 103827.4835 122207.8896 139490.975 123951.9951 110963.1372 99574.10683 126192.4095 229452.3029 182696.9243 194992.242 182873.7704 153514.1917 140246.9032 186866.4466 119882.6706 129491.1817 149341.1708 127238.7673 139569.7631 133192.8381 158721.517 142545.3813 Deoxyuridine Triphosphate (dUTP) 80013.26855 65326.3127 82298.93023 72965.48171 81013.46598 64986.71413 72887.73002 61271.88265 85373.79561 74443.14755 65136.84228 78057.1297 86539.82115 78540.37158 74543.72232 68311.21864 68531.18341 66992.773 79124.87086 69972.17162 82433.54438 69529.64807 73277.18742 57000.90467 D-Erythrose 90355.96032 142978.4663 212604.4955 337256.085 222657.1771 207695.3819 141961.0117 149952.261 96072.91585 191812.4298 271192.5515 74080.89799 337840.4425 224942.1316 98480.22496 235523.6726 78360.01044 90116.36467 240270.2562 261347.9069 162834.6395 178732.5819 432459.7132 385139.2894 D-Fructose 93002.57522 148165.7822 222809.5204 263433.9684 110435.0686 139050.8905 95150.90564 169690.7822 105537.6836 368213.4799 397921.4245 380401.1459 399497.4227 298774.4443 457042.4313 336178.1522 319614.0379 331407.1859 278764.5173 284541.5246 205134.7945 222373.6737 308897.9688 257933.1444 D-Fructose 1-phosphate 74473.21564 76707.17595 123439.3778 158676.1862 138995.3272 131925.3242 77706.92344 74479.07438 59156.21698 329022.0447 312823.6793 313108.5509 196691.0933 112920.7669 293518.0617 206206.0554 161990.8858 241961.8731 87631.67426 86402.40475 55662.69782 78217.46403 108205.4838 87341.41642 D-Fructose 2,6-bisphosphate 33868.46358 38179.22254 6727.670977 20671.77571 23030.15632 21252.17269 12996.65173 35720.71871 29198.02697 45639.80521 55163.16782 101898.6437 38804.76973 46192.98349 28598.28314 56489.02033 40675.01536 51463.28233 35178.60466 37630.7412 31414.74938 22674.24517 18082.50077 44904.36945 D-Fructose 6-phosphate 128054.8801 139251.9904 169598.0343 226103.4213 222745.203 205733.4929 145491.9664 140068.4491 92238.97386 486665.1856 525551.2354 925963.4163 500720.0347 243988.4314 514063.6182 454613.1088 507156.4898 622259.0459 209742.9669 193701.2951 176636.7266 202272.737 223229.4562 190410.8865 D-Galactose 1248855.018 1555296.062 3910201.535 3575662.3 839163.8344 1027124.607 1046951.082 1365362.747 1560758.153 4084035.732 4934847.405 3766169.454 5743900.687 3719402.257 6048248.186 4076839.683 3821403.727 3476354.739 2968008.204 3695063.52 1934817.265 2079478.321 2363980.572 2415595.419 D-Glucose 1139154.887 1515725.425 1767056.612 2010081.786 812847.9301 955216.6237 1172694.752 1612932.067 1100428.397 2184064.212 2656876.667 2306682.47 2598929.145 1726661.763 2804634.105 2067387.118 1974754.482 2498142.894 1894464.391 2306216.794 1208417.173 1535257.639 1458841.719 1896677.394 D-Glucose 6-phosphate 66315.60845 69193.00886 146416.9486 197578.6303 105153.9443 87333.83846 68413.15444 72434.02506 59846.20163 930567.0619 810320.8402 401828.504 530132.3969 258531.3959 794843.8549 396325.2113 152528.5917 174619.4982 120075.6216 98416.9307 103316.0796 112235.0753 133172.3103 100382.0164 D-Glyceraldehyde 3-phosphate 3423812.925 3996415.735 2225039.204 2990035.33 4126921.387 4218824.762 4032988.299 3801225.75 2682640.39 4871879.415 4507024.99 3779764.565 4799154.907 4341944.819 5269670.918 4386490.51 2592921.379 3177906.777 3548010.51 3532623.654 3828505.785 4559373.131 3904664.07 3488574.346 Diacetyl 98266.03291 141140.011 117389.9771 111285.9943 131739.4186 144384.5635 133572.8569 190985.08 156179.1215 204719.0931 217441.6401 173442.8709 130798.6813 247686.9224 129243.0743 101546.8981 158071.825 133823.9401 178173.0384 122888.67 145287.5245 144313.0155 126455.9996 Dihydrobiopterin (BH2) 53131.84402 60933.5376 48015.88388 64365.2739 27532.94621 20265.17205 18168.96764 27852.50485 50194.95743 104964.2311 95076.94637 109133.6508 100509.7826 76499.71633 172498.1243 112612.0238 115668.9087 108783.3241 73305.40019 79166.36855 93069.64067 81392.965 115398.3372 106144.2596 Dihydroxyacetone phosphate 2114.530649 4198.269261 17802.5684 30563.95586 15026.21897 12367.72985 1506.318422 9426.251415 975.2001841 97277.87191 95604.43868 30711.66974 44043.63869 7923.692956 124084.5594 32893.0884 11360.53717 19752.96386 17428.76556 22162.66818 6450.221566 15155.36016 37189.37734 33260.298 Dimethylglycine 184794.5153 218366.6414 281585.025 368633.8005 268627.8629 270298.7452 250800.8642 246186.0146 164286.7222 206574.0029 187450.8035 203853.1982 212191.7279 201477.9167 178476.7597 200882.3201 317735.529 366576.1036 212101.1111 233669.1913 257373.908 286254.512 205241.3019 207852.4789 D-Ribose 85282.09807 104816.9116 67198.93372 60848.14175 72112.42297 79285.27941 89822.6718 129871.0266 75207.82463 89497.46855 81641.8456 106527.5199 90970.57398 93532.93341 140751.1324 86066.27959 94351.63943 133028.8776 92349.82576 93919.90108 77385.25471 98583.18062 108990.7646 95399.99551 D-Sorbitol 466288.807 610371.2965 858207.8146 802294.1839 293640.1787 335560.6833 418638.8971 526299.2671 365179.2019 999129.8765 1143219.747 1380348.308 794459.4747 480758.677 904866.3281 670370.6438 567207.0365 758260.645 500112.3158 635499.9495 293381.99 344037.4299 588047.4505 705907.2997 dTDP-Galactose 31395.34212 55631.50774 26651.96709 38939.98562 25125.30766 29514.17078 39523.92353 41622.62698 29223.91909 30614.10878 25431.69636 17656.99072 28479.80458 22666.40637 23405.48294 25306.00096 26689.36871 24893.38177 29631.04303 29872.54006 31776.69117 33883.8859 21026.3506 31169.98061 dTDP-Glucose 64572.33425 126232.4023 85745.05376 71259.50421 75782.17141 66228.82266 85225.58137 112634.2017 62614.32853 59641.5525 79449.94308 31317.10752 73978.65026 42843.52513 46708.09202 58638.84557 46005.96743 47596.82172 67346.97729 79524.91185 61280.5898 71995.00543 58464.36142 66767.25086 dTMP 112248.6788 109424.5576 103537.5846 110831.3408 103086.9954 87512.04846 99430.03103 89577.13011 94994.02235 80930.30001 77768.19068 19928.96927 120557.2567 77818.31199 82858.31428 75562.3267 50327.36569 45857.19856 71799.12322 62203.44132 118931.6429 114158.9926 61050.01201 53428.65272 Erythrose 4-phosphate 1038404.61 1229457.949 1650762.871 2290868.267 721641.1224 722843.5245 1222970.792 1175087.404 901135.403 3819650.648 3648655.902 3082718.041 1942009.815 1095851.41 3962126.629 2151953.759 2108431.727 2722296.032 1089388.946 1091869.975 804600.9719 943307.5938 1108698.411 1009990.673 Estradiol-17alpha 1126.054212 2233.068638 1393.003817 4333.519529 3364.747901 2913.394249 4678.98727 6138.536937 4989.060908 2379.900894 3372.046061 3180.81284 2780.635392 2943.227956 1871.789718 3457.076797 4187.665141 8734.507492 3126.944321 5371.640209 4037.798656 4960.327078 3899.80405 6788.781038 Estrone 3-sulfate 33640.3124 45905.74533 96403.04933 115408.0951 71154.19112 45804.83583 72299.76277 56780.8389 71279.4577 8003.184141 7685.666891 14139.92522 15011.80656 27658.74697 1766.820073 5317.420027 18220.73617 25970.52368 21518.97714 14134.69236 16220.76783 14821.26428 17510.16485 18761.77105 Ethylmalonic Acid 73482.53756 60251.6321 58225.28174 80021.91926 78166.00212 91398.19901 75802.02464 82601.70433 84811.62244 90278.57427 104744.3759 101499.9017 117028.1818 103591.703 131681.7379 91848.5818 86035.78628 116003.9075 73924.71473 83867.95074 96640.31599 102375.9024 87423.88702 93677.32018 Flavin adenine dinucleotide (FAD) 3841920.95 4836840.465 3317821.879 2946942.185 3663422.487 3087213.772 3572572.049 4347863.307 3375433.127 2911340.564 3301267.875 3419088.757 3306827.274 2697991.009 2265942.076 2882544.365 3354194.468 3339728.308 3233183.878 3748337.974 3684487.16 4160073.076 3105688.332 3623841.474 Flavin Mononucleotide (FMN) 37773.22227 36261.73362 22216.25448 22843.22655 43476.71172 35752.64873 41445.27706 31023.55 33109.43242 19443.67459 17259.97234 25295.3485 15312.77939 16126.08259 12296.27483 12772.9117 28616.24749 33165.05257 24742.7224 20187.50172 32422.47149 27344.47373 27119.25496 20716.64758 Fumaric Acid 581721.7668 744153.5594 1401513.148 2020275.956 943479.9122 1047184.128 1059844.665 1179334.78 542097.2294 1782910.86 1591704.324 613788.915 2125398.281 795290.7026 2020238.055 1455919.801 444095.9433 621096.7872 936378.6306 1012174.795 1024629.743 1182605.593 1622023.01 1426604.482 Galacturonic Acid 10110093.86 11792893.95 8018985.93 11447871.22 10619299.48 10227688.6 18021321.7 20098946.14 17849888.31 6097247.74 6458545.795 6187302.85 4666688.763 5988089.509 9288652.218 6249967.945 5732733.493 7063936.716 9957023.575 10079449.99 9057622.898 10014650.3 15526049.98 15679281.73 GDP 149790.8792 156267.7915 126394.1391 143506.9942 216905.7166 172619.4473 168613.352 132736.9028 148275.3607 217555.0302 210049.2793 257589.7543 224254.5037 138798.1029 139573.4575 205286.6822 157512.614 178445.7177 157931.4568 121835.247 140094.4832 126537.9917 147573.0232 120074.0154 Geranyl Pyrophosphate 26295120.71 31861591.64 21719504.3 27795960.61 24677216.59 25221139.08 30674555.43 31374902.5 19730915.13 41337020.94 41305142.34 34569365.08 36926162.9 32970273.68 39349901.75 33544393.87 26571153.86 36351501.48 26605699.59 28150354.02 27220982.58 34655686.95 33306751.9 32559027.34 Glucaric acid 452925.2977 924217.5564 147882.1634 270985.6614 587814.3703 792417.6575 706092.4448 1098092.006 270757.458 842846.1018 1231309.849 302869.8277 1039530.255 442813.9003 850589.745 555093.4999 255137.1678 472636.7344 731868.2188 1274989.941 584079.9296 1031054.663 867601.401 1197855.742 Gluconic Acid 24712806.43 30155884.44 19803014.91 31191933.56 23404745.94 22265786.89 35180557.92 41677063.31 44211342.17 24371431.44 29220217.15 36801369.59 27218031.96 33044419.21 39627452.37 29799542.42 65267156.81 83532977.76 60011910.25 70146835.17 105063993.6 129252467.8 56124183.82 62811423.25 Gluconic Lactone 386403.3223 300369.5346 339906.5062 254060.8392 951384.6086 745159.9839 509758.9311 409789.0383 653772.2 518746.7907 406609.9096 909913.3455 727153.1382 857225.9349 487672.8391 632386.1895 486086.2308 428105.9662 665035.5296 436535.6588 514348.6895 402224.7414 245062.3995 177469.9625 Glucosamine 37229.15389 34932.61493 31038.1619 34077.24235 21408.5141 21889.52795 33633.64154 35059.17743 30232.41592 72943.97088 52256.67083 7669.815342 52806.92749 50174.47765 52794.45585 53398.20565 6592.359965 4872.474427 41812.87644 39296.63824 27767.33497 32264.20358 36224.1572 34918.04648 Glucosamine 6-Sulfate 248293.9735 363415.8651 104731.8358 164629.9892 186608.8885 163003.8757 182257.0447 209406.793 136541.986 166220.8752 156646.1432 144603.4202 66897.98944 61527.0685 19277.82736 99044.73402 42676.3678 76263.38029 106518.3926 85733.23929 207768.5949 215566.9643 162430.6312 182560.7907 Glucuronic acid/beta-D-Glucopyranuronic acid 4462725.527 5764567.127 5536355.389 6883039.947 4407755.365 4528006.996 6850849.89 8474747.928 8942706.864 4371144.744 5144958.833 4635113.812 4661110.331 4861754.508 5717663.222 3903288.629 8971249.542 11418819.12 7043810.06 7820201.504 10843222.83 12567326.54 6715981.612 7000729.079 Glucuronolactone 585620.3505 654450.1913 1066866.965 1178978.372 471546.1691 457837.0661 918303.0574 923887.0812 665403.446 1740684.377 1924944.223 806833.2401 862980.7472 840287.4934 1548705.265 953397.4017 738340.2279 908794.6625 1246720.717 1360690.993 843347.3606 946707.683 1061781.353 1026447.597 Glutamate methylester 450862.6852 492423.1149 852929.5175 869941.0525 824438.7463 860822.7907 1300289.486 1254265.229 1331575.871 361704.6335 310569.2645 545817.6904 289985.1004 428028.9582 430494.6632 330308.286 1562837.505 1448212.92 748708.5531 619009.166 1025606.421 934037.147 558587.0917 388205.2136 Glycerol 3-Phosphate 6052460.507 7440713.794 10773277.66 15934911.58 9167856.904 9551314.376 11827356.27 11578475.97 8708632.527 33577925.41 33005985.88 14416048.18 17582359.78 11221252.96 23106296.57 17038694.5 11456635.99 15157969.98 14294459.81 14410652.36 11415459.81 13828244.06 16208455.13 14925583.38 Glycerol-3-phosphocholine 1071232.247 1126436.658 848241.1848 997621.5863 889452.0369 805648.5783 2009266.815 1800101.025 1048973.529 3260178.507 2942949.323 2352846.547 1566440.153 3534294.699 2484032.643 1614914.324 1771263.692 2070013.037 2301742.754 2118454.613 1435165.766 1563699.517 3908803.848 3475453.103 Glycine 182657.0703 202475.8453 193673.8407 266104.2173 227556.7055 246332.0823 195924.0585 184625.3239 204236.3827 179890.6106 205336.2234 109984.8454 149429.2343 149061.1107 171256.7722 133080.8172 182163.5493 186987.6689 247758.5962 246851.2713 290207.3744 335563.3822 185956.1297 170298.3382 glycochenodeoxycholate-3-sulfate 121235.2703 112717.8116 76773.94363 69299.57104 58999.8704 60316.66234 137805.2924 134171.9426 58266.382 26431.05924 30472.84056 37910.06483 27101.45241 30945.00766 31978.08575 29205.19519 100676.5417 68370.96187 38480.78096 26426.46625 55123.96111 39910.5278 63451.18819 60995.16411 glycogen 72229.67415 91004.55702 3282171.634 3219399.887 65097.13696 50232.2857 130034.4346 166046.1892 3369764.306 3472025.607 3989753.905 2903182.173 2511913.285 9903733.247 1933872.085 3435975.688 3860377.875 310100.7084 337794.7989 139695.7287 149345.0736 110950.4182 115780.5243 Glycolic acid 797883.4569 1200419.869 1537923.344 1921165.742 624387.9546 914325.4812 929123.478 1441165.189 860125.7537 2497530.309 2633309.44 2251546.386 2898518.781 2222222.979 3611759.465 2714336.114 1524408.708 2416927.296 1967341.056 2572067.105 1671315.069 2141033.183 1756671.754 2385414.208 H2SO4 125192452.7 169166799.3 27949369.78 46880010.85 11528054.6 14641268.25 143724411.9 162301085.2 85813130.57 78019817.61 93862846.11 214876356.5 15687055.61 55584222.84 77319042.99 120792467.6 180335836.6 227210530 54759410.97 72833786.64 108842028.2 142868966.2 148568462.5 169935065.4 HCySH-succinated 8462.758733 5503.269348 2025.258607 2517.826624 6203.489106 7166.954495 4638.986434 3347.196989 3277.626159 23007.54092 23759.12453 8739.378356 21168.334 11229.30597 15868.16548 16588.83519 4235.985394 2756.947865 11025.62052 10360.30655 6068.618152 8359.872226 12349.58002 11129.89091 HCy-SS-G 9973.939602 7538.757322 5255.051125 4028.321237 5633.830669 8772.921399 7819.436381 14889.75747 12963.74817 12747.87941 11227.68706 12541.58649 34429.38235 27065.99555 7119.034765 6577.741764 23752.32645 24564.62734 17918.69362 15106.73633 HNO3 5074.758074 4787.122928 3689.631504 3125.322355 8126.340855 9638.40361 7604.873365 11811.19775 8919.496919 8025.126014 11045.42804 10792.00533 11335.63502 8389.530091 8247.693964 8670.261575 8261.57784 12833.99859 7682.273072 7804.517055 3893.985976 7198.504533 3273.78359 9394.935942 Homocitric acid 2114365.583 2171372.161 759294.1776 1005752.182 3499497.849 3241091.608 3754772.336 3089969.848 3618053.277 3496336.001 2933516.463 1860374.495 5082639.415 3328693.374 3278586.758 4093222.193 2444715.836 2572088.813 7592719.353 6697545.536 4973662.954 5185492.48 6179937.646 5139582.295 Homoserine 222933.5951 234289.6251 381836.4346 389477.4765 207622.5777 244389.1622 233656.5278 283806.1316 165930.604 247656.7871 320869.4524 54698.03157 214056.6471 322830.7789 343334.8221 220096.5859 75126.38547 75606.99611 444083.9219 505205.7096 189297.9405 222726.5849 222437.8716 254787.8577 Hydroxycotinine 31673.74843 68996.81261 21902.64148 44015.73124 81766.89011 83258.3437 24032.50404 68733.6845 44223.97559 41497.40353 41072.20143 49258.9846 44868.57612 53126.98515 43760.04121 56991.81366 49119.42676 46462.39096 61665.92141 55285.93872 61334.14351 56808.12345 60395.31673 59264.27881 Hydroxyisobutyric Acid 1062374.183 1458569.604 1257599.291 1930952.491 1032684.351 1260891.676 2015607.914 2392655.045 1265139.323 1157463.597 1245489.932 1334738.386 997797.3687 831153.4832 1212117.884 1369479.487 1793113.409 2759215.53 1284909.798 1574917.733 1827184.343 2229333.827 1045351.321 1134865.608 Hypotaurine 66930.31934 71573.77273 111360.591 154767.68 49626.39599 47163.76048 45865.24304 49072.06779 66170.26834 23151.11045 22082.09999 41450.03414 16515.20883 23047.40585 26162.0291 12316.83342 39185.53063 46378.92502 18801.46089 16351.21165 25469.30558 26792.0277 18363.54093 21422.67022 Hypoxanthine 940132.3658 1453508.028 1518042.666 1778953.13 898488.6583 970833.5375 1008648.131 1412767.833 806906.9001 2099931.557 2334186.175 1851806.031 2949259.349 2386645.117 3209836.934 2275917.234 1551933.731 2088699.9 1948500.962 2394039.329 1878561.057 2328640.331 1794119.403 2146430.888 Inosine 5'-monophosphate (IMP) 4943773.385 6255779.826 3215423 3882071.489 4370354.997 5058161.746 4286413.451 4973708.643 1842504.679 15581929.04 14964927.56 9399466.554 19600713.1 10631203.37 11561375.41 12825563.37 6227118.491 9697684.712 11180567.77 10886896.14 4248120.115 4877190.144 10355342.89 9770209.097 Inosine diphosphate (IDP) 1162192.365 967572.3923 1989369.125 1756836.464 1522793.907 1226752.321 1572967.16 1329153.872 1938525.52 1869068.97 1526240.578 2001595.861 1574678.857 1556261.533 1620241.153 1545104.455 1803607.62 1593239.72 2026516.866 1626771.083 1710934.723 1417390.872 2012595.538 1518561.97 Inosine Triphosphate (ITP) 101580.9872 109495.033 110269.2616 133058.2234 183241.3225 217531.8427 161847.93 124040.9142 104212.8828 264559.4165 298854.1095 204657.4959 333849.4492 165021.5759 130326.7127 281972.6432 108279.4747 136771.3782 144018.9321 131665.6939 120328.9209 140601.955 157058.9571 139059.0359 inositol cyclic phosphate 316070.3946 407634.2052 241945.5921 281681.0763 469627.5638 595574.5082 368723.9149 347169.2849 351664.9075 196152.2048 185672.8217 194378.1126 205079.6154 237448.163 256703.4743 241916.3974 184595.6754 235155.7846 311323.3393 289874.7523 333859.4718 423090.6408 313462.55 253820.0506 iso-butylmethylXanthine 3707.504987 7298.932678 1852.464776 7389.713966 4554.547509 5059.779298 5977.383362 5027.526862 7073.851602 22961.33398 30117.7362 3168.560501 19560.36623 26024.72709 35809.19708 6385.663813 5182.715613 7358.31183 24999.06081 32434.06289 5975.268177 11768.81197 6051.345533 7516.202005 iso-Butyryl-CoA 5276.907456 3665.58977 10951.05216 11382.97628 5760.259195 3147.079262 2956.922849 2933.114509 956.6281931 17276.80957 13570.11106 34519.31559 14901.63173 19967.09166 6976.195743 8925.995663 14683.32879 16998.06624 7245.027711 5015.262052 5071.818652 4498.993294 3450.124954 2472.666695 Isocitric Acid 322578.8191 306050.0527 115512.2037 147183.1901 150276.7789 115502.5458 776985.9975 648543.6677 211007.2151 135441.2444 112753.7367 2233673.1 379862.833 607544.0729 173787.07 157192.0816 2700541.823 2561824.897 131088.7196 87294.85744 184959.1181 123364.3571 264251.1504 215063.1584 Isonicotinylglycine 2031466.928 2498596.901 1122971.361 1326083.13 2030219.576 2025565.343 3484520.051 3759608.9 2237369.259 878774.8872 896595.641 845472.6489 801758.5458 738400.15 1088433.704 927758.3499 836526.1982 1008929.66 1253957.175 1269019.438 852607.5205 907598.2552 1686302.147 1630851.327 Iso-Valeraldehyde 269.364446 936.8742081 1002.641097 1449.078988 2375.453711 2563.458057 2097.129424 5709.998561 888.2768951 632.7314755 2492.961289 3975.523909 204.1371538 4215.853929 19650.3845 114.3125718 327.0280101 1188.9269 1786.168659 1752.726396 558.0885386 135.9133621 317.2348628 Lactic Acid 25179321.15 30184382.58 48231000.12 58307540.55 38374708.09 42528186.45 40241606.43 48629988.78 42643795.04 81525781.53 97080110.46 76717185.39 79431501.47 69632506.94 102843362.3 84323890.07 56314374.94 66237023.85 60714520.6 70768994.62 51173234.89 57701368.7 64125482.64 73450597.22 Lactose 401904.3614 459677.5073 479691.9877 495125.508 376505.3425 314870.4499 1091151.125 1117737.343 351908.712 418018.1859 397017.7058 671073.6783 402183.1744 1523907.726 1525101.125 489031.9417 458184.789 591462.7773 311330.6769 224379.9257 176150.7605 175491.5107 439351.7337 377788.9021 Leucine 12578762.1 14033309.04 9399119.739 10507071.41 13461375.71 12534983.78 17998619.38 15148797.25 10842336.11 12053959.86 9167476.103 12251075.66 9276045.078 10720820.42 8573180.165 9799012.397 10698678.82 12117434.98 14812332.57 13561122.2 14179968.02 12787300.39 12377518.46 10115713.12 L-Glutamyl-taurine 134126.0372 171517.839 180223.2863 197118.2766 235353.444 179231.4592 101039.2031 78297.69644 252739.614 597334.7036 543665.2226 557722.4609 823331.7788 609119.8552 694230.2174 1423560.381 615589.1019 561610.3712 417345.8264 375028.7597 378480.7266 400764.0106 636286.3827 638549.445 Lipoic Acid 207640.658 257172.1431 70109.16626 94539.13577 220160.6612 220184.6307 292597.5379 313187.3333 208724.5614 197081.1544 226733.2494 424502.1702 200116.0218 248805.189 243825.9415 268112.3285 262992.1619 304245.6909 170599.4044 194753.989 252128.6701 291759.234 216040.8009 191335.8338 L-Rhamnose 2139639.852 2075070.962 1841501.519 2528717.228 3863846.372 3605286.9 2445180.471 2057092.363 2025579.286 3104373.407 2773961.987 3253932.783 1894982.221 2997446.904 2496471.005 2639798.331 2032878.957 2583103.002 2190835.414 2293852.415 2815577.498 2870605.943 1652197.718 1821916.834 Lumichrome 31977.58032 52601.32287 18436.52364 21201.53807 64707.34067 75593.82993 75042.84589 72693.19674 92050.41219 85503.80871 99859.31374 90694.35985 88237.01373 81266.43833 68266.42087 71533.29223 83933.69762 77678.03577 72234.1533 88217.93843 78552.69305 89198.23638 30687.5853 45085.00705 LysoPC(20:1) 24826.58595 16217.93597 44050.34524 31439.04735 53169.28511 34041.37305 31383.03183 28452.41862 47729.98238 54973.24152 43670.4177 45961.13895 30549.8847 109380.4857 46421.0602 35593.81894 44281.3407 18841.99348 48640.32993 41792.28399 41283.2651 27018.57709 46389.41818 40806.91894 LysoPE(18:3) 44433.03996 34826.36038 54513.10465 28665.66171 39957.95008 30786.25382 34105.64999 32982.61604 41820.58861 22046.44101 13386.38646 25840.92599 7956.401284 36717.61352 17840.54064 29713.20907 67214.82713 40335.74202 21982.16889 25068.52675 47089.76333 26423.42621 46948.39854 23981.61453 Lys-Tyr-Lys 24122.90676 26952.09501 17556.74663 24076.51963 19238.26585 23508.48721 17924.884 19508.11389 15840.24423 13859.18494 18097.71252 14214.10154 19679.83532 21698.63493 14766.47046 14481.29611 7170.287147 14387.8076 17341.66968 16430.41642 15689.94213 17329.31754 19529.92088 18240.55949 Maleic acid 660088.9169 771311.5916 1048799.475 1247095.392 611184.5749 610764.1035 1053551.711 1133829.265 1813133.998 2108269.304 873596.4175 1133719.654 970779.8057 1496892.918 1223068.225 729518.5099 1001169.947 1364615.626 1575035.659 1129978.758 1356149.502 1222711.182 1237907.832 Maleimide 179544.7875 161505.2738 178046.6488 165304.0421 115466.1463 114182.4266 192044.9246 226446.3605 242438.0805 54160.80487 59111.42948 53950.68406 70814.0101 44877.6821 108827.6917 75661.90131 130035.2457 151216.3678 154745.8938 170774.2507 104537.7007 123144.7009 65136.57723 74356.66349 Malic Acid 9792988.716 9760577.903 25571773.48 29321858.25 30486071.01 32733508.04 14252927.23 14045875.94 30416168.8 31934806.79 19197389 46492296.28 24043446.62 33942392.66 30418445.59 6701983.676 7606808.565 19288763.91 20161328.17 12410251.93 14373941.94 18024628.05 16836051.75 Malondialdehyde 22975.16984 23121.52587 13262.33995 38384.02175 22603.16114 35471.48587 27823.47963 36326.58352 24567.45498 34168.14326 87839.76126 23737.13355 63804.77668 58767.06203 83530.26725 48255.55817 41711.84131 33609.05161 69200.70718 78948.88884 30256.84256 49960.75026 40948.53965 33826.78691 Methionine 1371277.753 1282766.513 691598.3509 666854.4561 2836759.449 2289926.031 2298260.183 2098415.903 1269908.74 1031339.223 1229035.208 1203415.449 1568093.023 1243266.676 1291017.849 1335867.1 1248640.428 2336236.077 1895545.776 2567846.029 2154674.885 1800789.07 1535286.801 Methyl beta-D-galactoside 386622.964 424253.6602 314073.66 295220.1196 440651.3744 375870.1605 464568.2607 428928.7359 453078.4766 369075.5645 278695.6362 302438.7184 232197.1049 248482.4668 268463.8874 240122.4118 233091.6763 245549.0793 295668.7719 209935.9708 295285.1113 255619.8646 178035.8336 158807.0955 Methyl Jasmonate 6208.208859 5393.780751 4843.97528 8502.697842 6563.351526 4175.014436 8167.399331 4678.213763 7870.098263 12874.25026 11103.28067 4119.065671 10975.02061 17748.85807 16978.61293 6985.583611 6366.831267 8953.400568 15307.93162 13763.13796 4853.035574 4253.199378 5422.366376 6061.499807 Methyl Vanillic Acid 17197.78148 21510.46115 11543.25806 14645.54706 35426.96467 34179.51778 26751.88997 22101.99838 21706.90294 24505.68087 47389.64417 32372.45712 45026.93334 60107.59317 22408.01614 22142.41333 26594.5951 21078.80866 37307.19635 28585.42325 30433.2154 32680.9384 14866.06473 17859.62164 Methyladenosine 82570.75455 92726.20261 113358.8918 84981.69833 88682.53656 73153.61813 69061.03861 71437.51791 78574.28367 48416.72522 44962.26547 71934.77273 45751.44657 64241.54681 67100.30932 41193.0864 59117.90054 43314.52459 43245.27348 50057.61963 27245.74879 28043.85543 55052.02866 72210.18607 Methylglyoxal/pyruvaldehyde 23011.88789 31267.05257 52019.50888 41520.88155 45550.77142 28981.99737 56051.90605 47094.10932 34668.33648 57824.0252 73451.06089 46903.79577 65944.83951 52122.42609 58097.37139 73344.28027 48719.48649 43040.71108 55542.09382 56738.1532 59392.32125 60510.42852 42966.11622 38385.08284 Mevalonic Acid 143615.7276 210708.5173 203387.663 266283.3137 89770.14195 112547.6399 140307.7422 234747.6974 184965.5721 206677.0596 256226.2668 275886.6957 268968.9016 200340.1225 299670.4485 198299.2999 152639.5904 240435.7431 178588.6865 226014.468 138285.1646 128975.717 200372.3017 230756.1137 mono-Methylglutaric Acid 118053.0414 89750.57083 164295.3421 183946.8552 239751.5248 235197.966 167107.5497 154686.0365 239109.0983 251630.1312 224155.9073 27379.11336 228344.2006 290888.5714 309329.4155 161133.4405 79580.45348 52191.4064 240023.1461 215091.8323 230163.4984 209821.7009 134088.6548 115169.961 myo-Inositol 4659356.88 5839627.335 2347595.521 3024166.289 4353063.994 4684826.175 8186959.917 8855822.789 2595176.504 2736395.905 2291928.469 2337996.721 1993128.75 3352591.61 2616871.102 2004011.296 2481889.937 2951465.251 3166152.004 1766386.438 2048175.619 3893222.481 3921743.961 Myoinositol-methyl-phosphate 7562369.339 7531533.379 6069718.018 7873791.865 9666439.252 11032933.47 10377159.66 8814737.41 5845896.693 6507818.93 5590848.6 5343003.693 5447716.896 5356312.639 8085993.125 6688478.411 4262638.428 6324103.352 9827769.378 9120234.489 8854448.89 8901728.722 9351302.439 7919364.237 N6-Methyl-L-lysine 35059.96092 21743.52801 40397.77681 21785.28528 17738.13545 16530.76574 14850.96415 17218.38539 29134.93277 41634.68751 13684.0007 43559.2959 25322.36806 25472.12135 22276.84708 20488.0841 47369.3303 33882.07541 18449.90851 15084.71268 19020.54976 31235.18011 43956.80494 29397.55613 N-Acetylasparagine 648339.3413 715931.352 846483.1732 1022960.14 407990.9555 428132.4408 799551.8695 747465.6037 602515.0511 564739.1028 502092.7199 574300.0869 552456.7584 449721.7059 544529.0033 503052.0038 768228.5572 781837.3595 449605.4847 446295.057 361260.5994 418244.5456 476864.731 477328.0987 N-Acetylglucosamine 183594.5187 227410.664 89046.09025 86600.7568 165157.6869 179606.7025 144020.4685 181660.126 69871.16523 39275.73378 46054.06759 52898.7204 34103.69495 57723.67121 42572.84545 50668.74451 42081.26844 40085.47863 85581.08858 112588.9831 29828.14956 40665.71539 107033.646 124698.9207 N-Acetylglucosamine-1-phosphate 89976.33635 99098.83736 117464.3392 146288.2065 132538.5632 128408.8307 120485.7879 112306.0882 82529.20522 83315.18302 79597.20886 84918.64604 78327.38318 97027.35024 63277.55159 57436.55721 145729.2853 176048.1743 101094.3619 97264.43358 115863.0471 131462.695 100292.7991 90678.98525 N-Acetylglutamic Acid 21368412.27 20414259.06 49431097.69 63310130.5 23414870.09 23343614.15 19303377.39 17176382.53 24340036.07 14100211.8 12424388.79 9230734.566 15656013.81 15568915.77 13541240.06 9775565.473 17246954.42 14838811.04 12698663.09 11835806.06 17936776.41 17217819.78 11839959.22 9029052.888 N-Acetylglycine 227142.2393 262873.9531 185090.1581 295838.0992 365883.2209 356479.5344 791249.096 838286.6069 669766.0889 106592.8695 85532.7686 117951.7553 82825.78289 114041.3261 99220.48439 118915.8424 251578.9822 330268.9503 242943.6769 204401.2513 342869.8665 319040.9523 133432.9084 112798.1675 N-Acetyllysine 40991.9767 49659.3417 68085.97701 74463.04226 39437.48293 39268.57747 34626.57465 35834.75302 42571.58294 32554.36387 24628.85277 31797.52493 37229.82366 27339.06988 29728.02671 28660.3502 46598.28783 59052.95857 20043.22396 25426.63624 40465.02693 49944.95102 28936.43846 27479.02788 N-Acetylneuraminic Acid 4046735.188 4558098.811 5673413.307 6168091.116 4060932.757 4250739.161 4995732.374 5315169.58 2565595.175 2535656.636 2706670.233 2741898.344 2264011.14 2871940.833 2653433.514 2487849.312 2925432.465 3391779.022 3493057.037 2985408.419 3175505.352 3823086.248 3792073.212 N-carbamoylaspartic acid/ureidosuccinic acid 133636.4099 101924.0049 160544.965 164481.8981 423048.2382 426672.3893 204527.0932 164542.9995 313016.7078 242711.8411 153090.1952 4239.781926 233506.6128 230151.7382 253962.6287 136679.2236 20361.2387 18663.44707 316073.2584 241069.5185 322729.0023 329585.2032 238997.917 123377.1813 N-Formylmethionine 3327.890586 6232.232676 3773.466956 4481.848296 11985.30148 23477.85584 5752.601951 5314.120391 4897.247811 12397.40502 13394.11184 11600.85344 20514.1916 23595.27285 11311.24732 13355.86704 3097.040045 6546.728406 7519.7316 10508.00235 5856.133078 10055.70751 5752.417301 8246.86977 Nitrotyrosine 1136260.032 1390082.68 620067.5515 695749.5727 1047362.843 1121113.982 2186951.736 2147634.26 1167836.597 505278.2427 505087.8065 448966.4219 451860.3195 398744.1845 699446.0563 510296.2403 422917.1443 498897.2327 616640.5988 726989.3352 387067.766 424388.3604 944253.0135 901104.2948 N-Methylglutamic Acid 66363.72508 65779.16786 97670.36214 142125.2597 106290.9996 114261.1291 72523.98058 84889.21881 138114.852 103559.4472 98025.18455 20723.44648 132937.1982 87809.8881 89894.71968 77030.36326 57578.27187 56323.74395 142245.9789 133536.4354 135991.0581 136216.2724 63421.54454 59789.94548 N-Methyl-L-alanine 463216.0832 636930.399 368746.411 521137.4771 455248.5856 525300.363 675779.752 702381.5775 413285.774 372027.1071 496066.6747 206748.9869 518894.9775 376690.6254 493463.8307 418920.9644 230965.5831 248819.3947 392045.6063 491724.6282 453204.9136 510112.9848 554913.0671 654122.5828 N-OLEOYL-D-SPHINGOMYELIN 17371.01573 1475.197884 24306.75518 19382.48714 36318.21891 18470.97465 20572.56365 3646.158799 29808.55772 47465.32394 3525.256427 40660.46684 30384.5005 79673.63452 29016.49197 41928.83473 43652.85699 20235.37099 57284.10393 5890.316316 32773.95336 7015.65848 44480.1795 4614.014118 Noradrenaline sulfate/Norepinephrine sulfate 19116.9574 23291.17451 31059.98093 39032.35065 10035.73832 13166.19363 16135.83569 23345.275 4991.49414 10787.47099 14869.02464 4903.556753 27301.50433 14990.57556 5890.277084 16375.65897 19601.37862 25869.37083 13107.65352 18456.73306 25758.27968 10908.34311 7079.643037 5085.047195 N-Palmitoylsphingomyelin 509121.8577 52126.41374 320965.0712 281591.8211 451750.2222 236648.4113 481019.8598 26781.53712 370250.6313 614346.1351 19423.46715 833036.9516 373607.3683 792709.2319 217114.1515 412003.9244 564196.504 338231.1949 565548.3463 50810.54865 346788.6904 85942.6312 485483.505 31312.63827 O-Acetylserine 49549.48537 54707.97858 43881.80784 56435.63987 69545.95704 69140.32101 82817.64306 74335.19626 55930.30493 43971.44683 36375.81303 37762.55326 36907.28749 41351.41688 33132.57485 29075.07976 64163.17501 41682.4134 56771.57631 62120.44368 54536.99925 50811.3731 54779.15652 47472.51875 Octulose-8-phosphate 15128.51706 13572.3148 25776.84212 38734.87175 25975.61498 16273.97879 13112.67849 12824.65995 15101.98007 74824.43674 77981.30576 66188.48428 70781.27139 43214.51978 76486.13372 53740.20183 41107.11693 51959.86692 40435.38061 38704.2879 24221.44957 30463.90237 29044.17336 24252.42877 Oleic Acid 6557.331194 5263.394853 5759.137359 6571.630414 7014.329921 9368.712868 16722.93091 10466.90609 17658.67686 18428.6435 10036.50637 37530.06948 11642.87615 28932.0218 24090.45661 15109.28269 28648.54423 32563.16063 19010.62115 12794.46851 19013.0113 13978.26381 16615.49622 11678.55113 Ophthalmic Acid 848832.7665 979305.9593 4862308.979 6625996.636 1589077.033 1416693.437 3237807.913 3092301.815 6082984.691 6561606.277 6060642.75 1003584.126 7421589.388 2186919.662 5848483.862 4304073.012 15450864.54 20070889.59 4525286.948 4310833.899 7105943.885 8245571.761 7667293.349 7036990.219 Orotidine-5-monophosphate 49730.35795 48636.55802 60841.23795 61961.77766 75004.00651 64014.96045 37308.8244 33069.18201 33321.66006 81571.37483 57674.59915 110703.0777 98497.96888 72380.70092 85185.26776 92670.89701 67696.90282 78961.64193 64579.85983 51235.89545 44840.7241 59764.87312 51544.81823 41998.56843 Orthanilic Acid 28636.88357 39178.56748 72379.128 68737.16911 20969.45067 25924.27822 38681.9178 43994.44669 19588.98407 43201.27885 78192.95661 13848.3456 46674.38204 30454.51308 25730.84983 29879.12131 35090.53861 37801.26396 47527.22919 56352.76639 50148.88616 36774.9993 16143.86107 15446.32855 O-Succinylhomoserine 1396223.077 1266025.173 2042271.53 2377665.502 2595761.5 2592180.314 2635814.706 2353012.632 5032982.03 374367.0315 377559.1612 104662.1816 624799.315 342819.0754 983056.8324 510617.872 1500853.874 1154199.858 3672347.293 3507151.805 5984168.372 5569553.14 785544.5885 557453.7993 Oxalic Acid 62445.52556 134724.065 51048.04283 62514.70054 63748.06562 75389.36816 112164.2019 158804.7417 44986.02304 81178.42197 120899.543 41818.94623 148541.7295 58611.2518 93738.16202 70363.11689 68993.25221 95548.81759 110141.0534 167463.3092 68946.73028 140300.5752 86727.7388 126846.6061 Oxaloacetic Acid 51074.257 65138.55583 26104.20947 28560.29175 55841.24816 55361.75393 59982.83671 56642.76216 38111.61155 46882.51232 47198.6002 47432.4656 65818.47463 58091.72233 51936.62009 53471.56498 27310.70151 34502.05893 90529.69287 67422.01413 37723.98171 38969.14076 60409.98482 49583.98019 PC(35:4) 2855160.55 757199.3537 3240286.349 2078128.92 3407203.647 2241515.616 2720782.949 554105.9687 4113671.239 3861288.906 492725.4025 8040459.209 2801018.59 7015621.924 2254717.944 4564606.331 6569546.281 4388122.414 4465269.853 935504.257 4014473.701 1290449.479 3270167.13 607546.8791 PC(38:6) 69977.09491 14184.91033 127863.6526 79576.9896 158816.8708 76593.37939 91927.05035 9984.745196 139790.84 198408.4226 93122.60369 139691.8857 163235.0865 349281.3651 154927.1353 141834.8114 149187.7121 83277.49142 186196.6818 29917.05092 165031.1701 46058.23947 149468.923 15270.18544 PE(36:4) 4215013.733 514084.9016 2625614.032 1998649.002 6872191.954 3532038.282 4888190.214 183715.3933 6475152.417 5833842.882 95428.90983 19087736.19 3522278.508 9560077.982 2823702.089 8429143.259 8534090.988 5343251.411 6773924.699 482546.8115 3929039.263 953502.343 4510504.474 214201.2386 Phenylalanine 6030966.374 6329148.115 4669715.382 4691788.914 6058531.144 5445431.867 9127499.691 8663265.129 5072262.31 5213848.431 4171370.565 5612690.507 4047263.3 4978371.467 5676402.749 4062586.457 5458663.651 5139853.024 6900940.986 5959417.487 5944645.179 4676661.346 4664232.243 4000180.617 Phenylpyruvic Acid 15446.02548 19461.16421 9696.571224 9279.588057 23963.49943 21632.15415 20019.35254 22035.6733 25322.76205 12594.6074 12707.17947 22078.49468 15856.04176 19214.15269 11690.01643 16340.86656 13068.43469 19424.80456 15622.418 15797.80117 14546.09233 15114.97184 11384.58881 11518.92762 PI (38:4) 8813435.282 318425.4797 1768065.889 1057280.302 9740448.558 11630455.81 9516357.646 258519.3871 12713338.4 15021246.49 129553.8966 35331059.28 2091736.94 17187621.57 1286596.169 37309964.19 20578788.37 10171406.11 5539954.952 416501.8052 3691545.901 913860.9934 6878685.736 243132.3913 PI(32:1) 3836822.309 505540.3978 1790664.756 1240499.981 5839007.72 3560388.683 4420548.614 354474.1905 5422031.271 1893358.946 76136.53806 7428645.946 848207.0457 3447064.697 695768.306 3641310.812 5181541.655 3288687.135 2607649.771 243859.8626 1841273.371 444524.1512 2289842.365 216443.0221 Pipecolinic Acid 117219.4522 121522.2741 213230.2883 251804.156 88015.42265 76140.95252 78458.0732 72920.93906 58285.46923 77203.66349 61220.42076 70359.32448 79506.98894 107809.0505 81113.67303 50340.00213 86339.62296 89469.6763 78060.58004 73887.41182 113846.9676 108605.8693 69545.9526 64106.47178 PS(16:0) 162063.2907 22500.54213 100126.9502 788615.6014 265219.1083 245551.5031 118158.6548 10066.35576 271759.006 951590.0357 224805.6735 234862.9315 1006229.723 1370897.881 1157121.229 149459.396 205577.8585 100493.7712 1162547.744 363906.8699 28477.08194 98712.6754 51812.42452 43434.30972 PS(32:1) 8174.197977 1172.490792 4911.120032 8937.522966 12225.28878 11196.29383 5637.855257 590.470318 19688.19194 17098.47927 812.2259535 11790.98225 12166.39458 30150.69265 11718.24655 16130.8423 8868.277387 9774.081804 13462.69487 5335.135137 1093.309016 1987.214489 555.5764378 Purine 1997623.661 2610838.316 3168206.134 3221431.213 1165378.376 1318975.686 1872926.791 2609565.625 2051924.982 3433953.298 3874720.529 3259932.055 3630974.411 2607874.388 4309253.687 3055418.156 3438593.314 4618218.682 2655441.377 3353318.658 1553915.338 1754485.254 2215181.393 2713737.832 Pyridoxal 5-Phosphate 24273.04693 26045.36504 27104.33611 25394.20434 41760.49053 36059.61811 20612.61967 15609.30656 26887.59801 25122.10192 17537.12364 54287.02471 22304.14358 27075.16375 9435.244564 24859.03329 39768.93777 43250.85467 18992.21402 21088.75468 44326.56232 41036.68031 21130.6783 18461.76269 Pyrophosphate 1552503.353 2069677.264 846524.6988 1585558.602 1813024.107 1787866.175 1924619.254 1899532.125 983768.7537 1509468.096 1379055.289 1259930.929 1681236.553 1517275.631 1716970.246 1428446.336 1170085.001 1594269.538 1589171.466 1596628.179 1798387.444 2246963.203 1733378.091 1542184.203 Pyrrole-2-carboxylic Acid 4036.746551 8709.432619 5142.734581 7082.859368 9733.840796 14411.98635 12346.55755 12890.42497 14977.29158 16690.69625 12570.03198 7630.393869 5479.583505 6592.173757 9408.038783 9780.39091 20932.63965 16712.66467 10787.19859 17474.09795 8423.685907 11605.81543 3377.374188 9556.167776 Pyruvate 2203730.717 3098641.623 1265775.265 1698866.224 4392843.92 5479080.785 3335399.578 4343780.381 2320529.787 2886682.861 3403600.53 2908064.079 3553811.376 3731814.292 12562854.11 4112990.487 1705340.07 2583917.989 2506123.049 3275453.142 2772679.876 3645558.772 4947921.88 5747924.656 Quinoline 731.9225965 3667.893439 2965.434745 4155.411915 15525.04735 18016.54576 5348.145652 3166.825807 4659.124237 11915.11965 10566.28987 13156.54284 11580.55196 8933.140576 12663.25806 8750.054003 10020.57937 7499.571149 7321.257191 14233.66878 10182.95161 296.16125 662.5272975 Quinolinic acid 106930.5024 111151.5681 161058.1545 190036.9236 250914.2368 256678.2977 157274.6944 143700.0377 140001.147 486127.4836 426370.9411 472429.9549 804614.2468 987236.6723 333069.566 599633.7558 237923.365 212950.8442 359157.5959 358183.9688 625766.6528 609373.816 930923.1505 738505.1138 Raffinose 431962.4046 418645.3996 5146574.902 4582199.692 322213.2418 304885.7897 569329.3525 555827.5989 734701.8218 3153894.069 2757514.361 4498162.489 4136856.507 4091697.744 11116051.47 3885794.617 6120537.178 6497798.122 991053.5184 972614.7392 1026917.59 1032666.433 748810.7655 686062.363 Ribose 5-phosphate 3395460.192 4000552.525 2200884.053 2960054.456 4091122.316 4250690.407 3963227.757 3720847.7 2609376.544 4810571.525 4373437.011 3723378.949 4764148.431 4315117.312 5192750.349 4366532.48 2556682.071 3228222.277 3515000.288 3505514.041 3769542.172 4443794.321 3784122.282 3419332.333 Ribulose 5-phosphate 423573.6968 491197.6658 574037.3914 724859.6899 757517.4596 734493.0157 352056.1351 350249.7822 243394.4368 1095043.203 1029533.301 1372793.448 1507941.046 765936.6616 1609655.45 1261130.333 921236.037 1213886.137 609095.8583 598221.9315 506910.8877 615711.3571 447184.0078 404151.1344 Saccharopine 313267.8217 386280.8013 304908.7262 428845.9042 224028.302 255946.5199 327364.3687 313150.6113 231039.9712 174729.5207 159964.7734 207610.7655 126920.4737 138420.8388 91234.40881 155886.154 171808.5446 240808.2798 159199.8344 160832.6148 192980.1714 231441.1003 166839.2378 176943.3855 S-Adenosylhomocysteine 1869728.073 1822018.396 2614852.634 2722122.622 2026659.653 1930935.536 1604948.679 1529884.167 1449989.181 1787750.342 1442158.279 1188753.791 1651832.886 1267678.973 1346994.792 1525447.622 649449.9089 686855.1525 1383695.283 1368162.128 1768233.739 1660598.854 1048856.844 949787.1954 SAICAR 19107.09609 15355.47742 45695.1698 39419.53564 47764.91927 36651.1217 12501.49418 9438.122448 25921.5594 14100.5422 11504.22346 4059.059292 24637.78024 21024.62316 22532.36799 10133.30235 5067.895856 3571.003755 29205.79513 23691.6706 23716.75596 19736.24073 14062.90586 12129.8083 Sedoheptulose 7-phosphate 660788.4059 748150.4814 791915.7759 1021898.237 1017585.189 1017745.023 578757.7391 558609.7564 376389.9522 1841067.171 1712971.87 1805364.865 2465237.105 1195318.293 2142683.24 1885748.917 1210149.999 1594838.293 961630.9688 977125.4063 742317.6105 912796.7463 769230.4046 726771.6813 S-formylglutathione 759526.2015 759606.9985 611172.4996 767918.5852 931079.474 1025486.875 1018003.29 894411.0773 594971.1 632058.7523 537901.7627 531768.9613 551465.6017 526402.5959 786443.8522 625196.674 444249.8417 631180.5849 951243.6668 898460.8414 863256.9144 886852.0621 903398.7855 767088.795 S-Lactoylglutathione 85962.70826 83039.98493 13484.09613 16255.40109 7767.118085 9185.546388 95879.91978 86820.56754 22662.01615 11203.25012 15071.44231 15533.59878 9231.077483 9862.074993 24432.49553 6812.877044 19052.32612 25919.25387 38540.59815 29388.96286 129670.7739 147926.5308 19910.49147 18680.46122 S-Methylcysteine 32378.24441 38157.56311 31531.02456 37347.21642 29872.3369 28304.09851 47946.19229 40871.21362 41399.73123 63942.90514 48652.97418 32792.54071 39641.00918 31038.30777 57828.84223 47617.47441 42798.51008 38438.7516 40119.75059 42215.73034 41025.2175 44275.3266 77393.99165 69760.20062 Stachyose 40658.32379 35328.0021 401991.2747 422781.6971 103518.2252 92989.83306 45492.28339 49749.0642 299664.1986 392806.041 169900.9664 559333.311 402846.3496 1479092.515 280973.769 178820.6048 190108.5275 93561.32707 102679.8984 65842.00446 73475.29077 44254.50301 48079.363 Suberic Acid 76861.498 61056.91318 104959.6813 132027.9817 78472.70211 68102.25255 63739.40255 84706.80604 74826.27445 90363.37639 105415.7451 7679.891579 50386.89156 135144.4574 101760.9193 91341.40728 26601.53519 13914.42759 66866.95901 54468.91729 75132.51175 83568.67609 74094.84276 65715.69876 Succinate 1339968.558 1101060.599 5882972.114 8599677.242 5211424.448 6578232.417 1424345.65 1812677.912 7241384.692 8820642.501 1297772.005 10179348.44 6979796.119 8327840.245 4328490.584 1298500.716 1129775.756 5218511.722 6107301.531 2375680.098 2627211.069 2274291.892 2722665.806 Succinic anhydride 80215.36775 67122.56804 100811.2322 244351.4312 135324.6731 135094.5751 85676.71867 94527.9083 103877.4573 197108.3079 247849.7856 6582.259367 182478.3114 209648.526 220690.7778 133699.4863 32297.84823 8440.7102 183565.3923 212677.2166 108552.4556 101663.8023 86449.23944 106042.9064 Succinic Semialdehyde 679767.6445 907481.0888 1053707.612 1215035.626 516601.0317 644611.0352 606224.97 874424.7066 579886.4527 1528463.964 1695561.409 1282734.551 1672368.065 1091215.323 1835983.763 1373683.819 1095877.281 1299883.991 1074864.911 1431557.689 860124.2506 986267.783 1053628.566 1171489.421 Succinoadenosine 355898.7468 333877.0058 1010755.661 934196.0586 770600.6722 800236.3806 474893.8585 414124.3167 501027.6995 735120.0525 553719.8772 107489.4211 748401.69 606319.7944 682520.9156 385924.0067 114729.2497 92604.50877 569646.0264 529189.3978 513364.6418 463105.6075 449893.3227 363749.4716 Succinyl CoA 6112.80704 5553.405358 21754.56022 21492.27127 9369.628084 4678.817936 15579.3535 9013.731817 9823.417891 55025.68752 41025.19289 23786.38775 24558.31078 9971.440991 26606.01444 13550.16842 20493.19938 19606.43632 17504.93395 13243.82579 13797.7906 12270.31652 18603.61064 15763.61 Sucrose 449291.3892 493701.9562 226716.898 239247.0858 597025.9711 468370.4048 7185534.093 7679035.115 241240.4499 1200466.695 1106328.42 648827.7488 986638.7415 25515505.36 1064687.508 472321.5644 510882.9416 576703.2588 650846.1259 599938.9443 213193.1785 194457.9077 598761.4202 610573.6099 Tetracosahexaenoic acid 681.0816934 3513.467729 772.9458301 644.4691087 1431.910862 1593.117252 2497.77315 2724.642832 3246.145904 2279.6525 4158.13748 4202.363728 2660.971013 2575.772582 5482.511903 4852.086031 2729.38973 4215.569402 1859.456366 2152.482146 2034.092161 1469.899556 2526.147862 2946.403602 Tetrahydrocortisone 14056.77609 10223.4553 2946.05161 6706.93975 10280.55275 10193.5925 30889.81843 24090.14893 20693.37248 11761.63028 12972.28804 5897.833303 8025.143873 11199.79833 25852.61834 18074.04739 6443.052853 6009.205408 19198.46673 14021.50281 2086.445009 6687.884135 5162.140375 9072.964587 Theophylline 48623.55937 32210.2399 9693.111718 20144.17366 140078.0793 118690.5458 24584.92963 74025.21255 80104.0271 148733.2958 443440.7946 67519.89711 224501.6225 383821.3483 130917.3911 147144.1153 49707.44065 76734.96995 202093.1803 287782.7941 84342.36432 224605.3908 22892.18262 45621.35005 Thiamine pyrophosphate 264071.1126 279491.3359 160244.5501 195870.7638 257708.7039 244313.7344 308053.5293 283731.8723 226422.7944 117426.8714 115448.6027 131055.3955 87354.54909 126150.6391 97384.24236 95329.99347 80417.10353 93439.97889 107718.5725 107609.3012 105638.1688 127593.0328 110718.4988 98627.9552 Threonine 378065.4494 407354.3791 383463.6146 367366.0016 2069143.479 2011415.397 448163.6682 444621.8906 328253.0961 554629.0065 363592.3213 276532.9752 1220291.758 463654.119 448172.1445 345547.7116 242560.329 299700.8524 644669.7145 572013.6335 352863.792 328682.2402 414604.6337 358287.0362 Thymine 2968.218489 7084.067401 5996.164989 2432.338402 8832.244848 15621.58554 4785.814003 7088.719859 5705.370352 9958.176146 12676.79305 7091.303752 14239.92186 16809.23859 6580.374566 11909.5981 4549.879337 6751.509324 8192.924009 14620.74531 7092.333013 12318.38127 3319.524695 6997.170681 trans-4-Hydroxyproline 253314.4735 284979.1749 728660.6282 876026.5785 536880.5525 526136.8287 412793.3583 412503.6884 264621.1967 276834.7642 111147.6835 476968.0387 368822.574 396822.8056 306488.4391 216507.4559 209892.9989 333862.9196 373353.5077 513916.3032 546473.4977 380543.6684 358628.9162 UDP-Galactose 37098490.58 57922016.07 10953535.49 13596317.9 32789759.98 39055811.77 39105962.61 50110855.98 16898183.3 36342172.4 45289502.87 8357336.594 53567964.93 16788643.18 34278360.01 21863863.56 8989087.825 15849514.1 23851866.08 33089745.69 28276360.4 38066939.34 30105461.91 35545512.57 UDP-Glucose 71802268.79 80286612.29 11289474.15 10625171.36 57093688.98 67108587.98 64993461.55 65076361.22 26427721.48 36789686.03 43649196.6 15125196.99 55103592.91 16932528.98 31027216.65 17103943.93 8036425.697 14564715.44 26091341.14 32773594.32 48137235.41 53135487.71 49482346.85 49280226.64 UDP-Glucuronic acid 24296901.24 44996058.85 29783094.49 41773055.58 14834813.28 23012742 40318912.83 57275586.9 34901330.5 32903175.39 47996516 25652015.58 69843403.67 35955616.48 39376264.78 59920225.08 24681949.92 37090244 32374909.23 57213645.91 55472323.85 76781001.26 47029997.88 62335778.56 Uracil 59447.39629 51985.45773 63608.87824 63035.69725 47607.78912 12171.97689 120909.6583 46089.35474 84064.62884 6082.466402 7425.574604 25455.21231 1504.928932 3362.143445 88366.83725 39042.62669 27820.78077 17757.2174 19298.91919 4651.049915 6379.017815 Uracil 5-Carboxylic Acid 31424517.43 39062035.84 44474119.61 49124027.54 29830389.02 31335925.97 38313694.2 48705594.36 35235167.26 89580172.37 112052108.1 47129177.07 56928224.19 48267483.82 68815196.31 54787299.8 51514094.67 60827285.51 53006697.81 61892242.55 37526961.16 44827728.25 41601415.83 48513952.6 Uric acid 12010599.67 15761610.26 13156943.88 12672660.52 9032524.067 9332124.981 16716040.64 17703928.48 41826410.39 37791859.66 35346108.12 39783341.3 28727949.06 42440908.82 25943750.61 22418670.13 27080020.81 24981480.93 27765312.71 16516662.21 16605618.82 22820746.14 26780411.62 Uridine diphosphate (UDP) 375568.1958 443905.765 331693.0171 455502.7161 533462.0366 520375.6562 500376.9369 447315.3425 395313.3424 1015419.791 996161.2527 726838.1885 940569.661 612653.4818 622763.6244 805473.7597 442924.7147 560125.0807 583628.5884 558231.8834 545537.376 634226.555 754365.9841 663017.4417 Uridine monophosphate (UMP) 4624662.401 5178355.98 4960179.986 6155105.543 4211837.999 4412292.63 5706867.172 5380025.236 5239444.354 6151282.577 5800962.521 4279959.965 5368661.802 4224891.924 5246211.494 4332836.675 4988609.282 6051743.654 4215617.174 4342627.377 5171115.406 6230648.808 4797661.939 4371949.263 Ursodeoxycholic acid 3-sulfate 438830.6945 413177.9262 158747.2718 130963.6184 117667.5627 117113.9879 402006.9855 475194.4615 276211.7688 88850.56285 83047.42529 127063.9281 70588.33052 144479.5366 160002.8593 76680.18246 363270.0423 308935.3199 122569.193 123477.2967 163572.2459 144243.3016 263891.042 238218.9862 UTP 54688.17938 53955.95778 56471.5584 53114.83012 93047.57321 80484.27207 73700.22951 66356.03223 64951.09676 166245.952 151800.3868 137263.4568 200255.7848 101821.7246 82711.07792 194154.8204 71341.2759 86357.37595 82196.20873 85659.65981 77026.21904 76659.1036 94411.14175 80188.7097 Valine 3966022.019 4812146.673 5040326.24 6624633.149 3850803.904 3948071.446 5441737.54 5093313.445 3168577.901 3674885.968 3462271.705 5568546.426 3409372.128 4575974.671 3415271.871 4696179.78 3292224.068 4002965.431 4797078.58 4747681.518 4444875.025 4379266.033 4395894.175 4041693.58 Xanthosine 2172162.342 3158018.209 3182290.454 2962623.599 2533655.344 2996402.013 3263760.445 4412838.751 1666701.931 9853559.129 10326312.43 5931063.038 6597156.481 3045416.135 13354098.9 6308384.721 2474058.078 3039826.158 7223995.263 8889511.733 2366096.896 2505576.612 4516717.533 5354175.251 Xanthosine 5'-Monophosphate (XMP) 168759.6952 184436.0316 127743.0912 297100.4659 122115.9135 363209.5932 128935.3709 290292.3121 118513.408 385686.6832 223943.5091 57935.16982 275209.7666 224023.0409 269006.3936 292592.4971 111908.1879 401331.9005 144516.9398 346539.183 82564.87347 431414.7403 198707.2139 434465.195 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1,25-Dihydroxyvitamin D3 10-formyldihydrofolate(10-F-DHF) 12-HEPE 17beta-estradiol 3-sulfate 1-Oleoylglycerol 1-Pyrroline-2-carboxylic acid 1-Pyrroline-5-carboxylic acid 2',3'-cAMP 2',3'-cyclic CMP 2-Acetamido-2-Deoxy-beta-glucosylamine 2-Aminoadipic Acid 2-Aminobutyric Acid 2-Aminoisobutyric acid 2'-Deoxyadenosine 2'-Deoxyguanosine 2-DHLA-PAF 2-Hydroxybutyric acid 2-Hydroxy-glutaric acid 2-Methylcitric acid 2-Oxoadipic Acid 2-Oxoglutaric Acid 2-Phosphoglyceric acid 2-Pyridylacetic acid 3,4-Dihydroxymandelic Acid 3',5'-cAMP 3-Dehydroshikimic Acid 3-Hydroxyanthranilic Acid 3-Hydroxybutyric acid 3-Hydroxymethylglutaric Acid 3-Hydroxypyruvate 3-hydroxytetradecanoyl-CoA 3-Methylcrotonyl CoA 3-Phospho-D-glycerate 3-Phosphoglyceroinositol 3'-Sialyllactose 4-Chloro-phenylalanine 4-Hydroxy-2-oxoglutaric acid 4-Hydroxyphenylglycine 4-Imidazoleacetic Acid 5-Acetylamino-6-amino-3-methyluracil 5'-Deoxyadenosine 5-formyldihydrofolate(5-F-DHF) 5-Hydroxymethyluracil 5-Hydroxytryptophan 5-Methylcytidine 5-Valerolactone 6-methyltetrahydropterin 6-Methylthiopurine 6-Phosphogluconic Acid 8-epi-Prostaglandin F2a Acetoacetyl-CoA acetylcysteine-succinated Adenosine Adenosine 3',5'-Bisphosphate (PAP) Adenyl succinicacid AICAR Allantoin AMP Arachidonoyl-PAF Argininosuccinic acid ATP Benzoic Acid beta-Carboxyglutaric Acid Betaine Butyric(butanoic) acid cADP-ribose Caffeine CAIR Carbamoyl Phosphate Carnosine CDP-glucose cis-Aconitic acid Citraconic Acid Citramalic acid/2-Methylmalic acid Citric Acid Citrulline CMPF CoA CoA-Glutathione-2+ Coenzyme M Cyclic GMP-AMP CySO2H (3-Sulfinoalanine) Cysteamine-SSH Cysteic Acid (CySO3H) Cysteineglutathione disulfide Cysteine-S-sulfonic acid D-Arabinose dATP dCDP dCMP dCTP decanoyl CoA Dehydroascorbic acid Deoxyribose Deoxythymidine triphosphate (dTTP) Deoxyuridine Triphosphate (dUTP) D-Erythrose D-Fructose D-Fructose 1-phosphate D-Fructose 2,6-bisphosphate D-Fructose 6-phosphate D-Galactose D-Glucose D-Glucose 6-phosphate D-Glyceraldehyde 3-phosphate Diacetyl Dihydrobiopterin (BH2) Dihydroxyacetone phosphate Dimethylglycine D-Ribose D-Sorbitol dTDP-Galactose dTDP-Glucose dTMP Erythrose 4-phosphate Estradiol-17alpha Estrone 3-sulfate Ethylmalonic Acid Flavin adenine dinucleotide (FAD) Flavin Mononucleotide (FMN) Fumaric Acid Galacturonic Acid GDP Geranyl Pyrophosphate Glucaric acid Gluconic Acid Gluconic Lactone Glucosamine Glucosamine 6-Sulfate Glucuronic acid/beta-D-Glucopyranuronic acid Glucuronolactone Glutamate methylester Glycerol 3-Phosphate Glycerol-3-phosphocholine Glycine glycochenodeoxycholate-3-sulfate glycogen Glycolic acid H2SO4 HCySH-succinated HCy-SS-G HNO3 Homocitric acid Homoserine Hydroxycotinine Hydroxyisobutyric Acid Hypotaurine Hypoxanthine Inosine 5'-monophosphate (IMP) Inosine diphosphate (IDP) Inosine Triphosphate (ITP) inositol cyclic phosphate iso-butylmethylXanthine iso-Butyryl-CoA Isocitric Acid Isonicotinylglycine Iso-Valeraldehyde Lactic Acid Lactose Leucine L-Glutamyl-taurine Lipoic Acid L-Rhamnose Lumichrome LysoPC(20:1) LysoPE(18:3) Lys-Tyr-Lys Maleic acid Maleimide Malic Acid Malondialdehyde Methionine Methyl beta-D-galactoside Methyl Jasmonate Methyl Vanillic Acid Methyladenosine Methylglyoxal/pyruvaldehyde Mevalonic Acid mono-Methylglutaric Acid myo-Inositol Myoinositol-methyl-phosphate N6-Methyl-L-lysine N-Acetylasparagine N-Acetylglucosamine N-Acetylglucosamine-1-phosphate N-Acetylglutamic Acid N-Acetylglycine N-Acetyllysine N-Acetylneuraminic Acid N-carbamoylaspartic acid/ureidosuccinic acid N-Formylmethionine Nitrotyrosine N-Methylglutamic Acid N-Methyl-L-alanine N-OLEOYL-D-SPHINGOMYELIN Noradrenaline sulfate/Norepinephrine sulfate N-Palmitoylsphingomyelin O-Acetylserine Octulose-8-phosphate Oleic Acid Ophthalmic Acid Orotidine-5-monophosphate Orthanilic Acid O-Succinylhomoserine Oxalic Acid Oxaloacetic Acid PC(35:4) PC(38:6) PE(36:4) Phenylalanine Phenylpyruvic Acid PI (38:4) PI(32:1) Pipecolinic Acid PS(16:0) PS(32:1) Purine Pyridoxal 5-Phosphate Pyrophosphate Pyrrole-2-carboxylic Acid Pyruvate Quinoline Quinolinic acid Raffinose Ribose 5-phosphate Ribulose 5-phosphate Saccharopine S-Adenosylhomocysteine SAICAR Sedoheptulose 7-phosphate S-formylglutathione S-Lactoylglutathione S-Methylcysteine Stachyose Suberic Acid Succinate Succinic anhydride Succinic Semialdehyde Succinoadenosine Succinyl CoA Sucrose Tetracosahexaenoic acid Tetrahydrocortisone Theophylline Thiamine pyrophosphate Threonine Thymine trans-4-Hydroxyproline UDP-Galactose UDP-Glucose UDP-Glucuronic acid Uracil Uracil 5-Carboxylic Acid Uric acid Uridine diphosphate (UDP) Uridine monophosphate (UMP) Ursodeoxycholic acid 3-sulfate UTP Valine Xanthosine Xanthosine 5'-Monophosphate (XMP) METABOLITES_END #END