#METABOLOMICS WORKBENCH bendovi_20230130_103302 DATATRACK_ID:3714 STUDY_ID:ST002457 ANALYSIS_ID:AN004009 PROJECT_ID:PR001585 VERSION 1 CREATED_ON January 31, 2023, 11:26 am #PROJECT PR:PROJECT_TITLE Mouse kidney metabolomic studies PR:PROJECT_TYPE MS quantitative analysis PR:PROJECT_SUMMARY Chronic kidney disease secondary to cystic kidney disease is a leading cause of PR:PROJECT_SUMMARY mortality in patients with tuberous sclerosis complex (TSC) disease. The PR:PROJECT_SUMMARY mechanisms underlying TSC cystic kidney disease are obscure, with no PR:PROJECT_SUMMARY interventions available to prevent cyst formation. Here, we reveal for the first PR:PROJECT_SUMMARY time the misregulated metabolic pathways in TSC kidneys and their relevance to PR:PROJECT_SUMMARY TSC-associated cytogenesis. To this end, we have analyzed the metabolic profile PR:PROJECT_SUMMARY of the whole kidney as well as sorted proximal tubule cell (PTCs) extracts. The PR:PROJECT_SUMMARY metabolomics data show that Tsc1 deletion in nephron progenitor cells changes PR:PROJECT_SUMMARY the arginine biosynthesis pathway as well as a substantial number of metabolic PR:PROJECT_SUMMARY pathways. These changes were associated with overexpression of argininosuccinate PR:PROJECT_SUMMARY synthetase 1 (ASS1), a rate-limiting enzyme in the arginine biosynthetic pathway PR:PROJECT_SUMMARY in TSC KO mice and human kidneys. The rise in ASS1 expression is dependent on PR:PROJECT_SUMMARY mTORC1 activity. Arginine depletion in vitro and in vivo prevented the rise in PR:PROJECT_SUMMARY mTORC1 activity and cell cycle progression and averted the overexpression of PR:PROJECT_SUMMARY previously described cytogenetic signaling proteins, including c-Myc and P65. PR:PROJECT_SUMMARY Accordingly, an arginine-depleted diet substantially reduced the TSC cystic PR:PROJECT_SUMMARY load, indicating the potential therapeutic effects of arginine deprivation as a PR:PROJECT_SUMMARY treatment of TSC-associated kidney disease. PR:INSTITUTE Hadassah Medical Center PR:DEPARTMENT Pediatric Nephrology PR:LABORATORY Wohl Institute for Translational Medicine PR:LAST_NAME Ben-Dov PR:FIRST_NAME Iddo PR:ADDRESS Ein Karem Campus, Jerusalem, NA, 9211001, Israel PR:EMAIL iddo@hadassah.org.il PR:PHONE +97226776881 PR:FUNDING_SOURCE This work was supported by grants from the Israel Science Foundation (MN 2030/21 PR:FUNDING_SOURCE and OV 2358/18), the TSC alliance research grant (OV), the research authority of PR:FUNDING_SOURCE Hadassah Hebrew University Medical Center (OV). OV and MN are Wohl’s PR:FUNDING_SOURCE Translation Research Institute research associates at Hadassah-Hebrew University PR:FUNDING_SOURCE Medical Center PR:CONTRIBUTORS Athar Amleh, Lana Watad, Ifat Abramovich, Bella Agranovich, Eyal Gottlieb, Iddo PR:CONTRIBUTORS Z. Ben-Dov, Morris Nechama and Oded Volovelsky #STUDY ST:STUDY_TITLE Mouse kidney metabolomics (Whole kidney) ST:STUDY_SUMMARY Here, we reveal for the first time the misregulated metabolic pathways in TSC ST:STUDY_SUMMARY kidneys and their relevance to TSC-associated cytogenesis. To this end, we have ST:STUDY_SUMMARY analyzed the metabolic profile of the whole kidney as well as sorted proximal ST:STUDY_SUMMARY tubule cell (PTCs) extracts. The metabolomics data show that Tsc1 deletion in ST:STUDY_SUMMARY nephron progenitor cells changes the arginine biosynthesis pathway as well as a ST:STUDY_SUMMARY substantial number of metabolic pathways. ST:INSTITUTE Hadassah Medical Center ST:LAST_NAME Ben-Dov ST:FIRST_NAME Iddo ST:ADDRESS Hadassah Medical Center, Jerusalem, Israel 91120 ST:EMAIL iddo@hadassah.org.il ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 26 ST:STUDY_TYPE MS quantitative analysis ST:PHONE +97226776881 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male and female #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 1 01_WT-3 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=01_WT-3.raw SUBJECT_SAMPLE_FACTORS 2 02_WT-5 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=02_WT-5.raw SUBJECT_SAMPLE_FACTORS 3 03_WT-6 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=03_WT-6.raw SUBJECT_SAMPLE_FACTORS 4 04_WT-17 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=04_WT-17.raw SUBJECT_SAMPLE_FACTORS 5 05_WT-31 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=05_WT-31.raw SUBJECT_SAMPLE_FACTORS 6 06_WT-8 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=06_WT-8.raw SUBJECT_SAMPLE_FACTORS 7 07_WT-10 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=07_WT-10.raw SUBJECT_SAMPLE_FACTORS 8 08_WT-32 Genotype:Wild-type | Treatment:none RAW_FILE_NAME=08_WT-32.raw SUBJECT_SAMPLE_FACTORS 9 09_Tsc1_KO-1 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=09_Tsc1_KO-1.raw SUBJECT_SAMPLE_FACTORS 10 10_Tsc1_KO-2 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=10_Tsc1_KO-2.raw SUBJECT_SAMPLE_FACTORS 11 11_Tsc1_KO-7 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=11_Tsc1_KO-7.raw SUBJECT_SAMPLE_FACTORS 12 12_Tsc1_KO-15 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=12_Tsc1_KO-15.raw SUBJECT_SAMPLE_FACTORS 13 13_Tsc1_KO-18 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=13_Tsc1_KO-18.raw SUBJECT_SAMPLE_FACTORS 14 14_Tsc1_KO-46 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=14_Tsc1_KO-46.raw SUBJECT_SAMPLE_FACTORS 15 15_Tsc1_KO-38 Genotype:Tsc1-knockout | Treatment:none RAW_FILE_NAME=15_Tsc1_KO-38.raw SUBJECT_SAMPLE_FACTORS 16 16_WT_Rapa-2 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=16_WT_Rapa-2.raw SUBJECT_SAMPLE_FACTORS 17 17_WT_Rapa-23 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=17_WT_Rapa-23.raw SUBJECT_SAMPLE_FACTORS 18 18_WT_Rapa-25 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=18_WT_Rapa-25.raw SUBJECT_SAMPLE_FACTORS 19 19_WT_Rapa-27 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=19_WT_Rapa-27.raw SUBJECT_SAMPLE_FACTORS 20 20_WT_Rapa-29 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=20_WT_Rapa-29.raw SUBJECT_SAMPLE_FACTORS 21 21_WT_Rapa-31 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=21_WT_Rapa-31.raw SUBJECT_SAMPLE_FACTORS 22 22_KO_Rapa-14 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=22_KO_Rapa-14.raw SUBJECT_SAMPLE_FACTORS 23 23_KO_Rapa-22 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=23_KO_Rapa-22.raw SUBJECT_SAMPLE_FACTORS 24 24_KO_Rapa-51 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=24_KO_Rapa-51.raw SUBJECT_SAMPLE_FACTORS 25 25_KO_Rapa-50 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=25_KO_Rapa-50.raw SUBJECT_SAMPLE_FACTORS 26 26_KO_Rapa-17 Genotype:Tsc1-knockout | Treatment:rapamycin RAW_FILE_NAME=26_KO_Rapa-17.raw #COLLECTION CO:COLLECTION_SUMMARY Snap-frozen kidneys were transferred into 0.5 ml homogenization tubes prefilled CO:COLLECTION_SUMMARY with 1.4mm ceramic beads (CK14, # P000933-LYSK0-A, Bertin corp) and cold CO:COLLECTION_SUMMARY (-20°C) metabolites extraction solvent (Methanol: acetonitrile: water at a CO:COLLECTION_SUMMARY ratio of 5:3:2 respectively) CO:SAMPLE_TYPE Kidney #TREATMENT TR:TREATMENT_SUMMARY A mixture of six labeled internal standards was added to the extraction solution TR:TREATMENT_SUMMARY for quality control (13C6-Glucose, 13C5-Glutamine, 13C5-Glutamate, 13C1-Alanine, TR:TREATMENT_SUMMARY 13C3-Pyruvate and 13C3-Lactate). The exact volume at each tube was adjusted TR:TREATMENT_SUMMARY according to tissue weight (average volume of 200 µl). The samples were TR:TREATMENT_SUMMARY homogenized using Precellys 24 tissue homogenizer (Bertin Technologies) TR:TREATMENT_SUMMARY precooled to 4°C (3 cycles × 30 s at 6000 rpm, with a 30 s gap TR:TREATMENT_SUMMARY between each cycle) and later centrifuged at 18,000 g for 15 min at 4°C. The TR:TREATMENT_SUMMARY supernatants were transferred into HPLC glass vials and kept at −80°C prior TR:TREATMENT_SUMMARY to LC-MS analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The samples were homogenized using Precellys 24 tissue homogenizer (Bertin SP:SAMPLEPREP_SUMMARY Technologies) precooled to 4°C (3 cycles × 30 s at 6000 rpm, with a SP:SAMPLEPREP_SUMMARY 30 s gap between each cycle) and later centrifuged at 18,000 g for 15 min at SP:SAMPLEPREP_SUMMARY 4°C. The supernatants were transferred into HPLC glass vials and kept at SP:SAMPLEPREP_SUMMARY −80°C prior to LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC setup consisted a ZIC-pHILIC column (SeQuant; 150 mm × 2.1 mm, CH:CHROMATOGRAPHY_SUMMARY 5 μm; Merck). 5 µl of cells or kidney extracts were injected using an CH:CHROMATOGRAPHY_SUMMARY autosampler. Compounds were separated using a 15 minutes gradient, starting at CH:CHROMATOGRAPHY_SUMMARY 20% aqueous (20 mM ammonium carbonate adjusted to pH 9.2 with 0.1% of 25% CH:CHROMATOGRAPHY_SUMMARY ammonium hydroxide) and 80% organic (acetonitrile), terminated with 20% CH:CHROMATOGRAPHY_SUMMARY acetonitrile. Flow rate and column temperature were kept at 0.2 ml/min and CH:CHROMATOGRAPHY_SUMMARY 45°C, respectively for a total run time of 27 min CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 20% water/80% acetonitrile; 20 mM ammonium carbonate; 0.1% of 25% ammonium CH:SOLVENT_A hydroxide (adjusted to pH 9.2) CH:SOLVENT_B 80%water/20% acetonitrile CH:FLOW_GRADIENT 15 min terminated with 20% acetonitrile CH:FLOW_RATE 0.2 ml/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Technion Mass Spect #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Briefly, Dionex Ultimate ultra-high-performance liquid chromatography (UPLC) MS:MS_COMMENTS system coupled to Orbitrap Q-Exactive mass spectrometer (Thermo Fisher MS:MS_COMMENTS Scientific) was used. The resolution was set to 35,000 at 200 mass/charge ratio MS:MS_COMMENTS (m/z) with electrospray ionization and polarity switching mode to enable both MS:MS_COMMENTS positive and negative ions across a mass range of 67–1000 m/z. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS concentration MS_METABOLITE_DATA_START Samples 01_WT-3 02_WT-5 03_WT-6 04_WT-17 05_WT-31 06_WT-8 07_WT-10 08_WT-32 09_Tsc1_KO-1 10_Tsc1_KO-2 11_Tsc1_KO-7 12_Tsc1_KO-15 13_Tsc1_KO-18 14_Tsc1_KO-46 15_Tsc1_KO-38 16_WT_Rapa-2 17_WT_Rapa-23 18_WT_Rapa-25 19_WT_Rapa-27 20_WT_Rapa-29 21_WT_Rapa-31 22_KO_Rapa-14 23_KO_Rapa-22 24_KO_Rapa-51 25_KO_Rapa-50 26_KO_Rapa-17 Factors Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Wild-type | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:none Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin Genotype:Tsc1-knockout | Treatment:rapamycin 10-HAD 209523.6549 851489.9738 365540.4016 521593.0597 776905.8694 369002.5551 435490.6698 710597.4313 737914.9866 584043.4435 663143.7092 391828.4644 300804.2363 442528.9689 342076.4679 284596.0427 327816.0071 360153.1801 185476.782 322948.1679 304485.035 330220.4511 449677.4666 979485.8774 250873.8107 332927.836 10-Hydroxydecanoic acid 146963.0975 563088.2799 304582.4531 372727.1308 510568.7953 359673.8774 284683.3022 306113.1902 500508.2382 278692.8329 286661.1266 170196.7251 162076.9761 244660.9653 266965.2307 240798.7086 311736.5804 244419.9207 117543.0125 215297.742 206046.2634 117636.3814 234197.5627 451667.4245 207804.9086 139694.1296 14-Methylhexadecanoic acid 2395341.225 2071235.137 2637848.267 2331064.834 2557150.245 1616723.674 2072475.384 3411704.47 2018259.167 4636217.245 2535950.402 1922964.477 1740927.638 2206771.771 1582170.513 1598596.439 2324360.395 1975822.777 1226642.811 2724339.72 6345258.828 1248202.298 2815335.441 2271570.69 2889349.397 2573924.582 1-Aminocyclopropanecarboxylate 613883.9069 566208.763 647408.4694 703032.5569 531979.3862 593315.2552 704348.008 691235.7028 516347.9429 480728.3695 549307.0893 545843.6899 517775.2166 529308.3548 606858.1091 851336.1465 773197.3097 898918.4409 811057.9088 727025.3503 775179.1545 636930.18 524456.6225 429610.3629 651506.2364 485811.17 1-Methyladenosine 29804406.75 28067250.6 26969382.54 34578301.33 25491732.57 19415806.65 52722481.01 35793420.63 26377155.57 20588515.92 116063198.7 47903971.2 29493055.86 23516011.96 22672620.65 29914515.31 36172169.5 33962036.84 60159086.02 43001700.02 37421671.08 81038191.62 59307927.27 54982062.85 74419792.3 34269665.2 2,4-Dihydroxypteridine 414134.2678 327753.1849 148985.6166 152885.259 128122.5815 92926.50024 299555.7907 144002.0051 379095.1238 94167.15052 127307.9712 600096.8841 264715.8097 451162.1285 288584.086 105845.9228 284055.0894 439583.3778 191717.2161 304808.969 239646.4639 130943.4771 243186.5759 76470.01063 76823.21542 229608.9021 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine 786456.3711 581387.9426 752006.0447 576418.6122 395037.3721 594975.7326 565065.7997 743866.2381 260691.2812 264567.8889 393203.2776 435863.1075 366418.3636 341272.1599 322429.6225 359747.2895 407380.8937 331953.9275 484041.5316 398683.8785 330413.1217 411363.14 336406.6528 370896.1565 440940.1792 267822.9136 2-Aminoadipate 24381843.24 19605116.67 19882163.24 20743992.19 14638717.18 22195468.39 23230787.46 16942590.81 15171987.62 13321139.82 13754553.36 13985075.67 14960516.76 13055388.94 14256030.8 47174597.99 25894479.52 34799917.3 28959359.39 24431173.25 27576818.46 43846027.92 22884517.27 20868998.98 39704789.87 32058778.39 2-Aminoisobutyrate 26481036.05 13802814.87 16887759.03 19336004.56 14175345.22 13268169.92 17308006.49 20748593.14 18176275.13 13921678.34 15103557.15 12674361.82 12047701.27 13709816.3 9182276.097 23534941.2 20078559.28 23147581.31 24935109.31 15365501.39 17666238.07 21584661.69 15217305.85 19090406.74 23485769.61 18324083.88 2-Aminophenol 28400.65295 0 37482.0124 88868.64008 43055.68988 0 60708.40445 186741.7685 11166.22544 22622.54055 109595.7801 163353.7717 117600.4455 42598.09647 9223.617504 112445.0096 82130.5439 35827.66436 226407.562 95512.02568 47396.41663 144735.7161 29456.78212 35778.08785 63494.1912 65034.43562 2'-Deoxy-5'-Adenosine Monophosphate (dAMP) 804564.0957 822316.8781 1002152.035 417346.9359 537510.3963 788256.8596 887854.5038 660920.1152 629867.609 853587.1871 638123.1714 1073959.437 1133404.52 1134200.304 495384.177 365415.5015 409222.4913 357230.7671 301074.8303 408678.5007 254285.4801 178779.1765 233205.3879 135772.0602 343536.2887 442212.402 2-hydroxy glutarate 6112568.067 5311144.123 5956429.346 7444646.723 6119530.745 5235629.214 8267326.059 8989787.16 6776128.352 7727852.549 11624985.32 7696243.855 9304784.946 9143447.444 7388664.856 5603913.777 6952954.751 8869318.766 6081061.996 8359383.753 7335651.972 6762468.45 8334435.124 8541692.455 5797172.295 5081323.976 2-Hydroxyhexadecanoic acid 906151.6678 843561.9219 1238953.207 1104671.516 947473.4646 891252.9231 967085.4447 1449627.626 1510259.998 1160659.106 1012267.139 845710.5026 1045006.368 1243023.123 1052162.572 1094655.941 1805347.781 1074587.363 740187.7208 958130.6561 818866.215 689639.9066 1022211.325 1051840.039 1253812.277 630933.0589 2-Methylmaleate 83853706.92 83563222.55 65776841.33 72075075.35 60463641.35 65463267.14 55648443.12 74914788.41 72337142.78 72629554.24 73887115.31 89795335.19 59819070.53 69202864.67 62186392.82 81998595.12 69655551.29 74521120.7 73961061.91 81565140.06 66903936.67 75768807.14 71315963.76 74094857.73 66009964.97 68818636.53 2-Phosphoglycerate 1435694.104 1800439.2 2831066.377 4544128.02 2306846.561 2184924.694 2866977.867 4258551.327 2849976.861 1538241.223 2199017.784 1324441.193 1792125.475 1512815.567 2548823.522 3602684.813 4894794.995 4122759.504 4749980.512 3267727.883 4758181.078 6216388.522 3491604.391 4032882.986 3531920.363 1989051.898 3-(2-Hydroxyphenyl)Propanoate 155415.0569 109883.8232 128686.0976 115898.6988 195037.9753 166692.9391 180914.0828 416184.8148 146198.9928 13950.68142 164382.9904 120852.9698 138880.2472 131370.6085 225509.73 93422.17647 82838.96476 129757.8635 65654.18558 80520.13641 54363.66874 140274.7985 218334.6783 134471.6083 77370.924 12305.07661 3-(4-Hydroxyphenyl)Pyruvate 3983831.739 2497752.286 2669923.901 2555416.115 2462014.204 2863787.602 4140530.144 3669630.793 920601.1687 1076981.914 1249030.278 1045314.932 1059881.939 996652.9528 704810.7319 2310520.439 2145632.271 2541704.702 3086869.066 3160959.976 1656853.039 3128147.767 1442656.8 1326001.746 4514802.688 2213589.751 3-Hydroxybutanoate 1774436.22 1964009.669 2009823.252 774630.7586 1937349.255 2057609.001 2170355.566 2842348.039 2251997.95 2205908.752 2596579.988 377097.1147 856922.0458 1973206.36 2132669.397 2537070.538 1791549.408 1749446.109 1565747.424 2231367.382 1607520.346 2522328.841 1661699.42 1570996.243 2527740.694 2315987.155 3-hydroxybutyric acid 15654261.78 12594166.58 14438215.27 5271054.1 10960367.95 12569072.72 16184384.1 14788821.22 10459800.78 13317507.95 15244481.12 2407655.522 2927572.175 11115851.38 12090567.34 14924473.01 10706832.26 12552197.48 11572604.16 11290975.46 9847849.697 15346184.46 10311938.32 10014620.24 14330582.2 11960858.41 3-Hydroxymethylglutarate 5071113.219 4507726.657 3641754.059 4384915.053 2794963.453 3143345.047 6315875.004 5439250.718 2464711.062 3075235.418 4662120.122 4535629.301 3650173.892 2485570.574 2531046.61 2583068.128 4116079.314 5022055.898 5303986.064 5642576.256 3680986.635 2533833.958 3326758.351 3368061.706 2580619.881 1470282.175 3-Hydroxyoctanoic acid 543403.1191 1674246.943 922945.0913 811117.1563 1408247.01 656501.2179 739625.0343 2042556.82 1434598.392 1052034.269 1352408.208 600811.413 609464.0661 856945.5013 551145.0205 731400.1599 882490.589 684884.4927 727652.683 773813.7846 938749.442 903578.3912 1077839.951 2078748.188 786402.451 808325.4171 3-Methyl-2-Oxovalerate 2066602.871 2374092.84 2356670.472 1153942.22 2272445.289 1448053.209 2987282.635 3596287.342 1875690.25 2273203.547 2136358.711 1221072.193 1397766.806 1405261.197 1854996.349 2084327.04 2996215.046 2540394.825 2388093.876 2771502.684 2005487.075 2355534.753 2053507.527 1600504.644 1496669.063 1438009.149 3-Methyl-L-Histidine 57519619.8 47405867.34 60181331.37 48210943.17 53186898.87 52284460.77 66312052.93 64568680.02 47514619.68 38645517.23 39822209.06 26893217.32 38351185.42 37601693.62 44194464.12 64258138.64 72196207.6 62457035.18 71893671.23 65380204.62 66116416.08 65298271.1 36234169.15 32416716.31 49711587.59 41665346.48 4-Acetamidobutanoate 4587879.232 3492409.503 5111711.332 9883476.513 4086922.775 4650680.211 7583152.599 5693846.459 3092211.463 2260222.747 2832583.342 3186800.467 3668893.007 3096795.541 2920778.532 5658806.5 6996579.993 6370292.229 7902254.948 9110846.595 6090530.212 6551192.678 3808062.087 3432998.685 6734406.912 3892184.625 4-Guanidinobutanoate 32554412.63 30787484.12 25882446.43 25483202.87 38825763.72 23406868.57 33414506.27 41616914.5 32010286.43 28620283.22 24381210.18 24627593.07 27735032.79 34352726.73 25129386.02 29454473.26 30098799.04 33424558.36 41824744.36 26781377.26 35910136.56 42902425.59 36837731.77 42517621.09 43701311.25 25432728.87 4-Imidazoleacetate 130954614.6 73165512.86 119542964.5 198573829.6 81205684.64 145977158.3 187716686.3 129829518.9 81268192.39 72447350.7 75253090.7 94352710.99 96236648.22 87441309.48 100790998.1 137389294.9 111002084.4 109606387.3 121308556.5 98612520.06 138336337.8 143231723.5 70756907.09 65896462.87 126827889.9 51314123.03 4-Pyridoxate 38313077.94 36020082.88 44607183.31 71390289.31 85143992.32 28306021.43 89772847.67 136024138.7 37580460.33 46268139.79 97444247.67 137393951.1 86844298.76 54206915.94 48537227.32 86224547.46 92801750.01 53026338.43 145356103.5 97053612.35 74584793.81 122385061 50248839.77 43373051.78 104906552.9 84568707.31 5(Z),8(Z),11(Z)-Eicosatrienoic Acid 2058904.268 1773542.997 2882132.896 1574881.974 1532939 1799266.599 2052231.668 2763554.391 2397434.5 2265396.846 1942918.561 2173976.145 2689965.316 2621393.085 1703174.745 1635572.222 4467941.82 1548820.55 1813934.893 1873112.426 3543944.169 1235273.426 2450727.911 2086465.038 2886130.879 2169346.397 5-Aminolevulinate 571732.0385 397857.365 467809.1401 752590.753 368166.8787 512138.5776 404612.3604 520848.2065 1093003.567 819230.6145 1110000.343 1112771.571 867597.8413 1013450.593 787599.7949 481064.9262 588636.8591 545136.4089 566564.7903 405919.9531 551201.0529 719590.137 671563.2937 533195.0304 574886.386 236872.0429 5-Hydroxylysine 837228.6617 387382.1515 963692.7392 747268.3452 552065.386 754973.612 1038376.436 747060.0081 222459.0324 320392.1513 280783.7029 253618.3308 272049.3605 237319.4342 192143.3233 515501.7354 692834.7322 612230.3474 820057.7169 831862.9875 623025.4032 562363.714 444792.7828 279283.6341 626768.4477 605484.1876 5-Methylcytosine 568413.475 418447.8241 669461.5803 1008887.276 714652.2631 588367.1939 1131250.525 1121394.689 669550.0967 474841.6435 684282.3854 735939.0626 788136.4125 843964.9003 466025.1673 713612.4872 1113200.138 1007258.381 1026396.583 995351.8769 987789.6372 1114315.02 610823.3155 602112.9611 996049.799 569701.922 6-Carboxyhexanoate 498074.089 986756.9218 0 0 0 0 1346188.915 678855.4016 0 0 1910296.179 0 0 0 0 885929.698 1368890.599 1706349.439 4344729.751 2179866.995 1099158.914 1705331.857 1576548.306 1868062.837 2008421.544 807180.7896 9-Decenoic acid 199138.8221 232217.306 272163.1183 184905.3884 151306.7298 214036.7008 193194.3303 213806.3256 290841.2361 282940.4847 287265.2161 167896.4065 154108.9915 240153.7539 218128.9482 109266.5985 134662.1022 287754.2828 324345.1972 195773.1297 158135.0559 268477.0349 220877.2421 592600.0603 135658.7667 157219.6904 Acetyl CoA 161502.9149 105653.899 100251.9851 468646.2391 350320.8136 214601.8366 238614.4574 92081.05595 248881.6967 225938.3153 361059.0601 209200.4428 188714.7983 246380.0639 220154.1927 74858.28917 155291.6759 283122.4153 516126.7639 133922.9197 603126.7547 295006.3968 471969.2419 287087.402 333574.3248 101694.5639 Acetylcholine 0 334611.4811 578050.0408 602512.7809 789943.6059 312318.96 627950.9336 189030.99 247073.7728 340378.9259 73631.64381 247474.6161 692604.4276 0 0 53256.88243 178879.9085 228934.2869 663985.2904 918645.0981 334662.3691 234041.3935 526878.454 0 497348.7867 343067.8006 Acetyl-L-carnitine 1557029543 1714392099 1878931834 2070091266 1298799830 1486422953 1677541730 1892254972 1597161909 1489447288 1590955530 1257222343 1524301618 1671994992 1874263890 2076831476 2074079039 2068059035 2047500826 1979064344 1825914034 2089483807 1662424099 1586100497 1947612187 1393957630 Adenine 85519794.55 70695136.79 79160672.75 69912477.76 39616049.4 56385927.26 52621139.03 59033989.8 52395510.29 39581090.15 60547152.58 59797752.17 39900901.78 58879612.08 57078087.54 88938393.72 94366483.32 73450435.08 91910942.73 57802503.98 54766128.85 75262007.66 50585139.42 51534072.96 76653629.11 35965010.04 Adenosine 505156619.6 414222105.9 495821256.6 222407106 261432367.2 278118950.3 337663208 205736508 271747539.2 424025182.9 297148755.7 493474260.5 473873737.5 509203890.9 306498241.5 240006877.3 131537889.9 140700518.6 264399971.3 315533237.9 90968496.26 137810090.7 108025475.7 99458801.98 281737294.7 242875802.6 Adenosine 3',5'-cyclic monophosphate (cAMP) 105586.5446 66014.75246 118783.3846 152668.1496 85843.26877 99559.18519 94790.29101 110033.5341 112398.7238 98895.13328 196913.6857 116995.8608 128121.0379 107854.5835 86640.19958 141068.2963 138434.145 143748.227 171305.4469 87763.49795 179668.8984 142947.3333 102631.1678 105697.3661 128049.6931 117822.3845 Adenosine 5'-Diphosphate (ADP) 70661872.64 53985843.03 79839909.96 92130573.92 65104666.7 65020447.54 77758662.27 73292921.83 76203737.36 67092804.86 88419278.82 67960747.9 70881889.1 77002847.31 71048183.04 93246279.31 84490585.59 85038471.49 96556905.94 70815864.68 81711955.59 91953407.38 72361076.59 68928056.62 84699630.47 59512367.09 Adenosine 5'-triphosphate (ATP) 7714496.247 5349003.451 8999943.666 19882662.1 7888732.538 8056017.976 8111121.271 7119695.28 10405047.36 11454410.36 15909142.67 9409852.087 10958451.76 8430042.991 9684576.067 13475947.08 8938888.754 12349931.01 21986653.63 8623595.471 15047668.77 15870930.37 19878433.01 17261774.26 16745976.08 8993009.892 Adenosine Diphosphate Ribose 18042587.69 20713567.99 20203403.72 23734586.89 9820357.972 19986100.66 20782303.72 35302965 22706666.4 15819918.73 29521849.06 20638446.73 23867905.08 25250570.33 21082156.94 27330216.86 40372010.76 29247435.78 22389395.51 25485738.21 20628093.05 24856005.85 20120925.49 23450583.56 23599247.2 19034802.82 Adenosine-Monophosphate (AMP) 435403790.6 329393341.2 414769523.3 297881309.1 247370824.2 382727646.8 405782792.7 458717203.3 322942531.2 333920139.8 355588020.9 416919896.8 369723783.2 422947898.9 280784957.4 366259413.2 392833243.5 357440839.9 318855845.6 349703181.6 303590130.7 282391088.8 217962925.1 206035222.7 330178216.4 331225432.7 Adp-Glucose 741740.6851 579156.3309 756505.982 809200.0567 675589.524 718240.9137 707997.2034 931872.6851 749979.4348 735173.7858 948703.0019 810693.7698 845355.142 841944.6551 833854.3919 837958.4712 802259.5561 788025.1201 890028.3565 690517.5777 911528.0054 859054.287 836827.6495 745894.4286 727914.3779 654696.2498 AICAR 363617.3968 481201.1855 618093.5283 691364.823 149256.4628 231542.2068 228403.7268 443326.7353 283213.1274 207818.2025 1194756.608 233680.3395 234472.2588 507413.1555 300339.7311 171834.9316 413908.2228 538733.4359 563479.9598 313542.4528 358615.178 212484.9432 542355.1636 575352.1694 183535.4073 123819.5805 Alanine 348077241.1 295688221 352629091.5 274861272 292945710.2 303467366.8 358495623.9 339648502.8 331488361.9 285694783.2 297549629.2 233820415.3 245409550.6 304490304.8 319764373.5 388532773.8 362483771.9 407384983 386705068.1 318014507.6 331914156.8 354385120.2 302898837.4 286793869.4 329143119.4 331221854.5 Alanine-IS 36414889.62 40080382.85 37392046.7 34925578.97 39044726.12 35437041.73 36322285.54 36472178.52 38645691.11 37180308.61 33730036.54 35865415.03 35324270.89 37478131.86 39120139.44 36128960.9 37447837.69 37905901.8 36730739.52 36148729.28 35320726.58 35815842.95 38455338.18 38547245.64 35676857.33 37345654.75 Allantoin 7303051.806 7059733.467 8025459.119 7699946.389 5273605.65 6211361.114 11537818.64 9464404.836 4670244.753 6038649.963 7549774.738 6372638.413 6068388.92 4577796.85 4434734.049 5199018.103 8346411.874 8939831.571 13185700.73 12492418.35 6855772.913 7574449.763 6384158.145 5775437.666 6502993.569 4412902.792 all-cis-4,7,10,13,16-Docosapentaenoic acid 2211983.643 2380154.582 3366392.322 2323807.142 1974566.683 2004031.927 2489744.943 3602775.432 3503100.721 2104889.94 2033311.534 1655579.472 2807538.112 2285235.381 1730792.242 2011583.99 5536605.227 2083914.09 2098067.478 2314604.267 3902562.83 1665737.212 2526791.625 2085389.982 3534048.777 2426284.885 Allothreonine 538089568.5 447426180.2 528432376.7 461480950.3 393920806.4 458541125.2 577581043.6 470720766.7 508489895.4 408371385.2 475032382.8 371797999.5 453663122.8 412023598.7 401691916.3 562785118.5 541610936.5 588121946.7 669961150.1 506571903.2 504282678.4 567740108 396289280.5 382990906.1 520120808.8 461543197.5 Alpha-Hydroxyisobutyrate 15894823.26 13677964.82 15028150.85 5318830.193 10960367.95 12569072.72 16184384.1 14793563.08 15365472.75 13317507.95 15244481.12 4419319.648 5654378.85 11115851.38 12090567.34 14924473.01 11651766.07 12552197.48 11581047.62 11290975.46 9847849.697 15346184.46 10891175.02 10014620.24 14330582.2 11991459.99 Aminoisobutanoate 36382173.82 15445854.08 19504735.61 17387455.87 14865878.42 15324655.85 17984080.54 23313933.22 19384323.47 15012011.74 15798337.86 13515416.54 15733028.64 15165119.52 15767800.32 24519937.45 22547206.73 24818926.97 22490610.68 17869048.9 20439212.72 24847908.5 17766229.43 19543874.18 25946087.86 20973760.15 Arachidic acid 684242.2207 342442.6455 476391.6848 821214.4023 196794.9727 329661.1613 651339.4479 2019033.845 494333.3409 1784657.539 844306.0361 579427.6878 376162.2121 735381.1382 546127.9363 236296.7499 1892316.705 640163.6918 505469.124 1082681.728 1729885.027 360749.0081 1382436.737 409278.2132 1679691.797 1272460.863 Arachidonic acid 25993927.88 28749313.63 38996759.3 25317857.61 21767925.59 21311501.64 26973999.9 39945749.18 33433555.72 25774489.27 22875956.66 30008151.2 37134261.21 27411494.45 20816859.59 22046554.56 59851564.73 21149986.36 24282465.41 25776573.96 29350222.65 17306764.68 29002683.53 21815686.34 40237124.51 28269026.07 Arginine 160794690.1 111261508.8 134834263.4 173921997.6 111749855.1 146263170.6 157943095.5 118259562.7 104290015.3 143581341.9 123977011.4 143118728.2 149878755 121405313.9 123277556.9 212538962.1 146320380.2 177121534.9 198533902.4 137804969.6 149271140.5 180082781.9 125635322.8 125079135.1 168170706.7 177244015.2 Argininosuccinate 3708063.544 2378804.833 3274226.542 3277364.887 1904734.064 2830517.461 3767154.476 3091763.641 2275431.568 2182007.377 2528531.756 3283684.913 3428526.543 2900115.562 2020658.824 4309377.114 3398680.242 3443598.228 4214821.109 3851586.717 2596890.274 3419365.001 2167825.206 1901182.294 3474667.299 2660656.684 Asparagine 118508645 90606028.58 112558844.1 93485519.2 82247653.26 102819046.1 124795252.3 98249591.34 101779045.7 94069098.99 97475986.85 85075346.02 98062082.02 84960491.44 85517078.29 104772734.2 92227526.41 112442005.6 111126431.6 94638804.4 94193653.16 96629323.42 75309338.66 73437546.96 93523012.38 87475413.38 Aspartate 120905997.1 93010724.49 133690840.2 166945371.4 82895741.38 127951962.3 118621949.7 98760690.61 127016146.1 96927499.38 90742065.18 130550552.7 120427853.5 100998512.7 86856035.12 208229580.9 142057047 160986346.3 200533615.1 119732921.4 132443437 157990474.5 109081900.5 105693147.9 170625651.3 149463512.2 Behenic acid 240560.9217 0 177364.7721 253764.9763 114965.2988 79981.46089 90095.14423 1070736.281 66323.28697 283454.6902 178330.3818 121534.9865 108423.1249 64263.42469 98280.98183 109975.3507 611190.5142 100038.7445 105829.507 309307.2468 851515.8471 99468.13379 1008883.83 158307.6256 1127494.152 801854.7227 Beta-Alanine 34621910.64 31100200.73 34210815.29 38407921.65 19592658.89 30179739.24 36476509.31 30494703.85 19765232.63 25105118.18 30885562.02 26294021.87 23775914.01 20662265.15 20715531.6 29729675.78 32040993.84 39835823.31 35385192.89 28221689.61 31497974.74 28073571.01 26709125.51 31076846.31 18376.79835 19755781.07 Beta-Glycerophosphate 18912800.68 17769999.65 25400360.81 33783106.99 23209153.99 24983108.17 27754526.58 33416187.64 26920660.97 18434957.2 28471819.41 11864963.94 17098581.9 13795002.42 22432207.56 29129677.8 47360123.44 29403221.67 30339533.52 25693711.6 39084868.5 35162125.86 29007656.86 30945363.25 25961866.93 20054468.63 beta-Hydroxyisovaleric acid 1106362.529 964466.3839 1275813.643 646008.248 606965.3048 929562.5713 1093434.746 912541.7958 1237639.865 1029034.7 1011960.422 418574.3377 546822.4734 664702.9791 610179.6161 547462.9642 830561.9778 903293.1377 979926.402 796291.6643 741213.6994 539549.0058 755950.1621 712977.7445 447080.5673 429511.0553 Betaine 4858892198 4634933484 5667798570 6344853633 4434357609 4443875407 5576856198 5414554605 7538714536 6467328899 7886136847 6653248687 7803558976 6277428061 7507911415 5548535082 5532931570 5586807237 5833840434 5202678915 4714266752 6554427242 5836846175 5870637450 6057767753 4499293457 Beta-Nicotinamide Adenine Dinucleotide 10296671.37 8661352.309 12666778.34 28717660.04 15820810.41 11230357.02 12762774.09 13793095.24 11157467.97 11804430.04 15568086.22 12359874.82 11150850.26 8386735.458 9858378.221 12214095.15 12996544.15 19691543.54 13537666.17 11591372.59 31515687.5 22663199.14 26096062.77 20437610.1 10820145.74 7351265.583 Butyryl-L-carnitine 167404315.6 157883109.4 153740309.1 118553095.8 84578155.3 126984483.2 157837374.5 133951526.5 210849906.9 162422168 216466410 142402965.9 151509537.5 125267910.1 138552119.2 118244223 125091935.7 125892643.1 138887415.1 113018789.5 121693836 126838970 124364355 128151552.8 131066582.9 87432503.73 Carnitine 5084649741 5004477713 5626098899 7311367801 3530302729 4738498310 5164359046 5290223551 4171301834 4573506199 4578943816 5230434117 6272542963 4390434481 4796796523 5718219922 5814777531 5799421490 5753137872 5296829810 5440602450 5840116688 4854555429 4616288980 5646939701 4280776069 Carnosine 1240980.761 1031367.469 1267505.025 416324.1082 402752.7093 691774.0038 1282531.221 503081.9694 945124.9176 1117572.002 1322252.177 1378155.576 1129430.974 1228326.293 671095.5936 1719565.868 1248254.411 1033160.062 1501271.333 857332.77 1815080.021 1514679.05 1028923.429 1100755.782 1468808.556 1228593.428 CDP-Ethanolamine 13882435.4 11586433.13 14578718.99 16438152.08 11819843.58 13231006.52 14874182.52 16438900.24 14799959.38 13502786.35 17713075.53 16134689.28 17820897.77 17226361.08 16162175.21 13347382.5 14490783.61 14524174.72 14335403.12 12899128.44 14232219.17 13401670.06 12876095.78 12528033.82 12940543.26 10265727.32 cis-11-Eicosenoic acid 1746170.188 1062560.552 1697181.823 1247652.76 768326.6542 1222717.48 1246698.952 2252452.638 1467418.1 2382085.149 1651509.207 1491894.347 1934747.627 1992244.253 1395234.075 1196733.001 2515636.211 816631.2023 1065172.474 1545988.254 3465193.746 844514.0436 1463612.938 957982.0273 1785650.751 1349656.769 Cis-4-Hydroxy-D-Proline 301284526 229088000.5 360637365.3 307556388 233545449.6 327808449.6 404761822.8 356395734.3 227903800.8 179956338.9 194769907.9 143010360.5 173857926.7 185750794.3 206201665 300240394.2 341034256.4 368846276.6 362173207.9 323959105 353932715.6 305623702.1 208150184.2 223721181.4 252770330.6 229460822.6 cis-5-Dodecenoic acid 319032.306 329886.3877 237331.6079 179803.39 108870.7828 176470.1395 401125.2991 210417.3449 362769.0084 253916.844 295604.8708 155570.7461 254938.2943 311056.8708 197949.0288 153713.1669 250650.7562 268193.1315 262746.8656 267478.6619 207634.1909 186558.7811 266253.0486 549228.2713 90028.79983 13007.11744 cis-7,10,13,16-Docosatetraenoic acid 4377365.796 4380872.661 6264811.256 3912642.758 3730045.545 2936713.243 4049531.455 5787250.523 5494583.563 3771184.451 3461478.86 3559814.092 5331215.346 4438854.487 3519752.548 3447990.125 10388915.37 3082463.187 3940489.541 4681400.26 6567341.62 2815976.057 5172106.771 3943292.132 7633733.766 5187786.949 cis-Aconitate 240125.6982 184327.4295 247896.6226 333591.5397 168938.6117 170457.4521 348818.6914 313619.0962 203745.0081 187224.0146 215973.4068 272104.5287 233294.2922 183831.0891 207478.9172 229713.2234 266206.3481 255411.5175 489714.2728 412428.1355 206552.931 425276.9354 247072.7469 191384.572 344299.0999 245157.5718 Citicoline 32891283.57 26303085.81 31460720.55 28988086.97 25842883.35 30810146.65 31771888.1 36289663.06 28631003.47 24078962.88 29566633.11 17079975.26 18200527.39 20900595.52 23518154.89 22084203.97 26022825.77 25748090.88 29174973.2 23053643.45 27321962.15 25212175.61 23250229.8 23318472.98 23977840.21 19067637.5 Citrate 84640937.36 78213496.37 79359365.82 74966316.09 68570860.21 58106222.95 102437871.5 100832172.9 63864977.75 57510884.6 80055271.6 63169521 70867599.74 76319695.55 57506068.15 77504585.52 81435202.5 102980099.4 86251793.5 101885558.1 106631259.2 72766784.02 79558221.69 66265832.15 69817589.22 50692770.6 Citrulline 101231564.1 70995672.12 94421730.17 87955013.23 65357132.59 78776677.19 101614754.2 72530796.97 70015063.02 59544590.55 56241650.4 54453770.96 55076746.88 51597403.62 51081141.15 140981582.9 128644659.5 133018924.1 113998308.9 114141944.8 124358709.2 136372856.7 76893861.07 65829164.55 117130848.8 88063174.75 Coenzyme A 2525310.502 1769508.927 2416280.092 3319163.907 1486208.009 2111091.497 2014714.578 2755937.658 1921346.486 1725661.014 3110788.098 2495196.597 2198960.862 3112593.317 2464507.729 2425956.915 2564804.781 2604224.931 2950650.54 2208415.995 2489535.603 2470067.639 2195477.451 2464078.197 2693731.725 2122388.342 Corticosterone 121052.017 51697.1079 299466.373 250324.3242 127447.8786 154838.3533 117265.0069 170246.1016 138374.9059 66729.16714 102836.2054 15798.79283 131062.2799 0 16185.39816 50268.00437 584891.8586 176491.1712 94855.76433 38508.8626 175465.6551 227401.8076 185436.9331 326061.5442 174596.634 70755.59345 Creatine 8332274494 8043069512 8689558969 9174411761 8280254233 7723945858 9456268457 9276134269 8491128470 7097300382 7855336842 7951746057 8625659714 7646258412 7834883504 10032891700 9620549436 8942211524 9488383986 8653879900 9335399559 10473744940 8002063362 8477900656 9729018108 9036001753 Creatinine 97732691.2 90893413.8 97240819.49 107175675.3 72142088.47 79675630.3 134986904.1 131134741.5 61444041.43 63233606.85 118979786.5 90435098.02 78184894.88 62906701.21 57895031.61 108547675.5 119703075 116945534.4 155643320.7 157149577 100980709.6 168647210.8 80000397.87 75966763.5 135680044.6 83610776.56 Cyclic AMP 396159.4333 495374.441 500775.8875 569239.4882 384193.5081 433044.4055 420273.6287 487329.4322 449162.8726 479036.0655 636757.8658 596479.6698 475334.6964 513935.4135 481976.3126 667170.6646 605536.4225 564363.29 482369.1455 434494.5345 606345.0434 417560.9282 509714.4508 504901.314 471230.3291 329971.8668 Cystathionine 589159.7112 342370.4898 420336.6381 340088.3386 228954.9131 443161.3109 670711.0411 326238.7446 239123.125 379854.8009 323508.1883 210149.4628 349254.334 246505.2391 249795.3339 663469.9703 511457.2572 553229.3737 762963.0254 580325.9058 1590675.212 691535.7451 251925.9008 204565.2989 513735.6595 415833.6596 Cystine 16925025.35 14030640.48 17880455.55 16360478.28 14758127.79 18798272.21 22227023.4 16889275.66 7246995.748 10816687.66 8447264.755 7376891.29 9574376.414 5892107.436 4172837.535 12418040.16 6173811.714 7474121.858 10994002 13932193.01 4918885.372 7765651.082 4640114.333 6675946.694 16828798.71 13005022.91 Cytidine 51906031.74 45358794.08 50582791.93 39444172.75 40530845.92 44853429.72 49672247.24 47302710.1 63887095.1 60319488.37 56243050.11 49825629.67 49742046.45 56594463.98 39941305.12 41427473.6 38288252.65 45022970.55 43185483.67 37101979.36 35087222.51 40515299.99 38324128.71 37414001.94 40863845.2 32287748.75 Cytidine 2',3'-Cyclic Phosphate 7257.463035 0 43024.6506 8720.425804 275473.1133 28339.72304 22294.18124 84483.08406 0 626618.6401 0 0 0 0 0 2675476.525 812607.3886 832881.7731 1098485.895 1395620.594 10997646.97 2354226.526 19991.18459 0 1898502.787 814211.6849 Cytidine Diphosphate (CDP) 729432.3454 585750.9908 1020853.652 2429422.54 1032312.893 899080.8938 840370.0579 1168635.726 1421014.464 986678.4061 1269107.729 1204699.932 1269625.398 1241388.671 1036917.606 1798241.487 1483672.443 1826737.872 1448262.668 1047282.611 1732039.195 1855152.25 1663995.313 1477172.479 1085237.621 793862.416 Cytidine Monophosphate (CMP) 10233244.52 8610931.22 11490122.59 10396191.54 6907563.445 9304608.038 10059941.88 11495703.65 13625666.3 11335432.06 13368483.73 18649493.7 20499052.23 19874194.71 14192289.05 13249597.61 14050832.5 11887938.95 11068017.64 10923550.14 6978164.22 8913465.099 7493738.426 8056986.364 11981173.04 9768235.804 Decanoic acid 1304928.625 6350381.667 3039024.871 1868487.908 4197226.743 1353708.851 1538895.95 4003761.817 4524679.426 5042073.939 3217262.705 1385666.26 1341563.259 2580683.749 1060930.876 1618812.867 2766200.945 1416768.931 1572943.238 1544201.614 1483458.036 1721412.42 1831178.044 5646081.644 1545219.793 1408805.443 Deoxycarnitine 217681385.5 179562533.1 229257742.9 282587291.5 161882429.9 197627927.3 226256776.5 250970564.8 204286974.8 203268024 241225766 256985725.5 256697413.7 205582408 212820303.4 179863957.3 217974621 212051563.4 264821687.9 192923443.3 194855253.3 217114368.8 200238986.8 197240755.9 208552031.7 133208338.7 Deoxycytidine 4377699.559 4727560.284 5121412.63 6102760.444 5850677.308 4669319.463 6752442.074 6056075.369 4358887.919 4208633.902 3878328 5047057.196 5269185.347 5451186.327 3441199.225 7540225.604 8627520.702 9213840.615 7825986.145 7549787.328 7733388.007 9102790.793 7859675.536 6673622.095 7621681.976 4921453.58 Deoxycytidine Monophosphate (dCMP) 260741.71 269402.1872 292047.7509 108418.4489 162341.689 223830.9246 282550.0873 249290.3267 400503.258 361997.0949 395910.8592 526586.867 520736.8509 595010.0391 332526.0513 263813.0339 331632.1979 151652.0729 250217.9197 339038.6876 38077.09838 191234.2134 124333.2364 102391.17 418021.2766 233164.1072 Deoxycytidine-Diphosphate (dCDP) 5773.594899 0 0 73344.97516 31258.0287 27928.71719 12430.39685 11096.8073 6564.398326 24099.07467 10295.50804 0 8972.860648 12333.76518 24352.74066 50542.20806 33141.37647 18751.57631 30760.13915 11026.76046 57519.26678 32289.02723 21316.03207 24571.55495 21444.87792 5887.186987 Deoxyguanosine 505156619.6 414222105.9 495821256.6 222407106 261432367.2 278118950.3 337663208 205736508 271747539.2 424025182.9 297148755.7 493474260.5 473873737.5 509203890.9 306498241.5 240006877.3 131537889.9 140700518.6 264399971.3 315533237.9 90968496.26 137810090.7 108025475.7 99458801.98 281737294.7 242875802.6 Deoxyguanosine diphosphate (dGDP) 77177105.42 59055635.76 85836986.12 97325469.31 69549627.7 69061507.33 79968921.19 81270674.32 83899342.49 71492471.61 91626493.84 72195686.59 76357139.43 84163931.07 82923248.54 99477910.27 92332646.04 90767727.7 102256964.4 77404456.42 89016221.07 99898188.95 82062893.06 79504900.03 99174398.87 67489587.16 Deoxyguanosine triphosphate (dGTP) 8183880.875 6238623.723 9143433.604 19877726.36 8656051.22 8874834.303 8372471.866 7249736.901 10236500.67 13697236.68 17036738.65 9838675.6 11045350.06 8637129.678 9705025.674 14042314.43 9393353.41 12904371.02 21303745.42 8841219.802 15500835.42 15814435.17 21073977.09 18408267.33 15367088.92 9950273.169 Deoxyguanosine-Monophosphate (dGMP) 435403790.6 329393341.2 414769523.3 297881309.1 247370824.2 382727646.8 405782792.7 458717203.3 322942531.2 333920139.8 355588020.9 416919896.8 369723783.2 422947898.9 280784957.4 366259413.2 392833243.5 357440839.9 318855845.6 349703181.6 303590130.7 282391088.8 217962925.1 206035222.7 330178216.4 331225432.7 Deoxyribose 331814.8012 326614.2085 454278.3185 538779.1395 208624.73 371754.7715 460550.2808 591210.7521 244133.221 158975.4789 400266.1386 198918.1175 395890.886 420377.0457 362862.7349 313448.3205 387906.928 370005.7038 390349.1638 264944.4842 308383.5415 392333.6448 145037.9645 288005.3052 260175.0568 341345.0783 Deoxyuridine 451772.02 293295.7014 150294.805 490081.8866 158896.0873 250854.8321 204596.1095 439155.0496 168218.1372 81120.17664 163198.3917 240145.8965 106806.5054 234378.4001 105284.4325 352969.3835 364704.2303 168296.2981 323368.5849 375218.4765 221715.9782 379699.4968 153204.3996 249497.8749 283247.1211 69279.73555 Dethiobiotin 642547.8664 909605.6077 1010163.873 1093898.349 986749.0628 872483.8394 1215066.489 930229.476 506778.6549 471773.2596 739959.0609 780665.6271 900181.2679 490186.6813 640167.1431 1056479.253 1180842.996 891447.5282 1397677.548 1229506.594 1128108.488 1079056.393 462578.4689 522228.7759 1051706.427 753420.9758 D-Glucosamine 6-phosphate 234976.991 181172.0079 211458.2929 235933.4268 318163.1429 217078.6975 249192.0444 193189.1237 308308.5486 257969.7209 332563.1528 308732.8695 308179.6915 267662.1524 247063.6274 117407.5207 178175.4395 168839.9189 238937.1227 163710.7432 530930.0477 164415.7805 196514.9721 232081.469 129180.3681 185667.8251 Dihydrobiopterin 2675302.335 2222638.558 1266726.466 1333622.372 621198.9907 987517.8815 1610088.789 1544916.561 1102590.573 2212256.401 2197697.201 3044567.85 972487.5091 1743398.752 1430948.928 1407638.6 1066975.66 1156655.37 1971460.621 2215345.735 1401342.01 1537727.108 1173150.332 958468.5252 1487603.138 1189021.568 Dihydronicotinamide-adenine dinucleotide phosphate (NADPH) 53938.16986 20155.12034 92626.63326 104602.3594 41213.61939 56866.78025 10175.00849 55828.72529 67969.60306 125646.2589 48270.05306 90795.03513 29210.67902 92903.7353 72095.82627 56089.10626 310780.6024 73016.79302 88276.07248 60064.12831 308352.0335 137989.1909 188743.3541 116647.7502 47218.32518 25113.04355 Dihydroorotate 224303.6936 274674.0515 349788.5589 1023676.176 788207.8804 274560.0286 753277.1228 1257078.651 849784.0317 473800.0965 419764.2452 874740.233 1263070.654 922231.3531 347514.3613 430893.5085 757888.8927 734689.799 870461.4404 1069230.535 989058.6819 686128.5236 934983.8599 943955.132 589230.8072 514671.998 Dihydroxyacetone Phosphate (DHAP) 444687.8121 405706.0759 334908.6671 295916.5404 286137.4277 222069.6839 268958.8279 345765.0226 225207.8496 459079.7924 672499.5314 361252.2121 408648.9804 530982.9081 472609.949 220312.6394 424660.0581 379769.7533 332045.5464 187341.3794 303522.3373 291374.5238 420478.8473 408220.4464 320127.6908 145273.6807 Dimethylarginine 21883439.2 16525922.47 19467339.05 20301584.01 18344457.72 16764274.3 30004833.35 24413044.4 14066639.1 12595754.88 10751225.31 13464602.15 15907540.76 14067433.14 12122037.2 24915508.36 26385658.18 30925033.79 34252109.22 29504449.97 22476441.08 27070462.62 13573702.74 11965607.81 24896508.25 19675780.88 Dimethylglycine 147709077.3 118793147 141205343.1 174370523 116019741.9 122940442.9 188019548.8 151681526.7 105042517.7 137655418.7 130001939.8 142366238.9 137873434.7 106941828.9 112933956.1 115036955.1 128420643.8 144575413.9 144454914.3 143188330.4 108401049.8 171255238.7 117938141.4 115817343.8 158869546 106373449.6 Docosahexaenoic Acid 14086082.58 11925658.95 18743497.74 12644234.84 13053363.18 11131105.01 14515228.72 19776597.38 19061876.53 11794202.46 13322887.56 10461276.3 16300987.01 13834050 12439079.38 10857316.58 24846793.4 14273619.15 13787417.1 13710445.82 18765286.81 12511865.82 18394303.62 13936109.42 18774989.5 12472678.93 Docosatrienoic Acid 125450.0784 100064.2812 64097.52612 43672.87623 0 42748.30624 102771.9005 98510.95335 149972.7782 65738.53328 31173.46625 125622.9857 180883.9191 197133.2622 116908.5194 104239.4092 509714.877 37343.51499 20348.20629 186758.6299 309464.9784 0 70988.92086 0 81293.0192 85462.69348 D-Ribose 5-Phosphate 7109268.191 6691063.743 6953541.469 3684649.468 3315333.566 4984202.132 5361834.609 4543308.602 5135844.949 6378635.758 5838725.224 7133409.173 7780325.632 7594004.493 5762264.203 4999444.026 5426608.354 3818613.43 5703496.38 4840330.615 3372548.115 3665655.616 3033067.568 3023315.309 4870926.98 4915804.484 D-Sedoheptulose 117923.5043 159317.8055 177487.3988 256878.6128 100497.6905 90579.03932 255246.9569 372756.9559 134402.2738 126666.4558 176066.5853 203571.9399 135890.1401 157386.3875 91992.06582 173562.3785 203907.0579 195268.2292 251672.7417 215056.14 112382.4152 236532.6402 97617.04901 135416.7644 147051.5161 95113.23605 Eicosapentaenoate 1527792.265 3392207.654 1654382.786 1387476.792 1592591.584 1236046.645 1980136.882 1678625.721 2112865.633 1462577.064 1910317.622 1892765.804 1385478.4 1388263.022 1345962.267 1475878.478 1675779.924 956111.9235 1203850.317 1866651.782 1383544.22 1465572.712 1233490.024 1850737.757 2145282.565 2108794.097 Erucic acid 293971.3183 86018.35333 133321.4447 359261.6144 186537.9133 70480.62399 185832.2759 846009.0895 220848.4256 118474.6311 373659.1939 437377.1039 470599.4467 283888.9839 180888.4933 207737.1484 369005.3301 113345.3399 179163.6152 505385.6474 785489.1301 180566.3736 455738.5988 280784.689 719360.6409 302774.1372 FAD (Flavin adenine dinucleotide) 2688794.652 2349829.687 2831765.062 2910596.482 1591029.232 2267377.329 2441870.46 2863883.978 2479412.203 2217073.848 3347987.603 2772084.606 2783357.356 2724265.197 2353547.296 2684943.124 2752883.119 2911953.394 2706767.379 2752059.569 2763396.759 2514594.965 2744818.557 2684812.821 2848060.828 1784033.953 Fructose 6-Phosphate 4531345.025 3042138.664 3884281.108 4070591.349 5734648.056 3757897.869 4469567.762 4695139.681 2758234.189 3904353.284 3273218.351 3526082.689 3757934.796 3390716.784 3149050.929 3469624.172 3906874.073 4227080.463 4426987.655 3578846.882 8491076.483 3669235.298 3501763.43 3715220.824 3041223.927 3924809.432 Galactosamine 305939.6007 262805.6803 278740.3972 1191012.74 500867.6142 601465.4116 1024513.939 897953.656 439918.6113 754161.3294 137366.4422 859264.8508 1266722.933 560551.9581 682064.436 585390.2686 558482.4282 593468.2166 538347.8614 542049.8717 590609.4557 864704.461 717029.5036 649819.9588 741089.9341 634751.0488 Galactose 1-Phosphate 5185612.529 4018776.718 4345069.508 4805891.641 7319971.516 4644146.179 5317557.568 5118128.439 3332403.966 4871948.018 3913316.823 4177512.189 4578777.166 3759011.15 3517626.536 3864153.725 4119745.102 5056821.865 5328243.896 4271059.547 10547883.84 4300219.934 4387602.75 4610900.88 3750226.151 4894221.917 Galacturonate 25849819.94 14663791.24 23103940.06 18945670.55 13455970.74 16110884.47 28501068.14 16754280.51 3314397.67 2604399.012 3632497.495 3088410.803 2776823.111 3220039.951 2121104.277 14455102.88 9345248.309 15739865.33 17497296.57 18442810.33 8126200.01 12729354.47 11893272.88 10164191.09 16833749.17 8349448.516 gamma-Glutamylcysteine 21234213.93 15986050.29 23323932.25 17273840.14 10824020.66 14046217.15 14253570.56 14097832.44 7318277.11 6512104.761 9066712.869 8169572.346 8192718.878 7476806.873 6046730.09 14553538.82 12876049.87 11661068.07 16007291.98 13622229.36 8137194.683 11726651 8667027.283 9159139.565 17287163.73 10429141.36 Glucosamine 305939.6007 262805.6803 278740.3972 1190692.948 500867.6142 601465.4116 1024513.939 897953.656 439918.6113 748057.6304 137366.4422 859264.8508 1266722.933 560551.9581 682064.436 585390.2686 558482.4282 593468.2166 538347.8614 542049.8717 590609.4557 864704.461 717029.5036 649297.8192 740913.5342 634751.0488 Glucose 12646187.05 6325114.782 11699080.62 39186152.23 17185525.87 17759167.46 24733981.86 32059012.61 10880486.09 23371733.97 4991638.661 28958251.23 39805195.23 14467475.83 21088680.13 22976427.3 15705378.87 18528063.61 15115445.8 18807153.04 18961379.86 29742218.93 20677920.81 16069787.48 22802562.62 19951335.97 Glucose 6-Phosphate 4353399.981 3513099.894 3723439.585 3770065.749 6793521.511 3824817.873 4598513.233 3927602.691 2624626.404 4270680.271 3212058.454 4098467.731 4425812.573 3442825.372 2832003.305 3197259.119 3632592.921 4510831.175 5210346.379 3335502.835 9033393.012 3488553.262 3715373.128 3933758.165 3480694.486 4047057.162 Glucose-IS 18830967.93 19967459.43 19394158.06 18216216.11 20064027.02 19429679.55 18863131.07 18362847.46 19209928.3 19305780.99 18767693.85 18486531.98 19368179.85 18661952.25 19364768.21 19255844.11 18088700.24 18247573.06 20049681.19 19037873.52 18613175.46 19556189.78 19316934.26 20423385.23 18859673.1 19507845.62 Glutamate 2197588895 1864643941 2207559414 2285250961 1845891658 2026596314 2321325212 2161744848 2069147347 1819050863 1784562068 1888504701 1949055743 2005720074 1639041780 2488179466 2257035203 2353663017 2415634908 2041615518 2269377610 2393610709 1875824000 1789119953 2364017470 1914925932 Glutamate -IS 146997513.5 159847538.3 154976843.5 154501177 169541490.6 157571472.7 151991975.3 148628816.5 155651363.3 174599693.8 153617764.9 159285637.6 161157429.8 153102597.2 152900348.5 137420907.2 140935212.5 145776684 149069200.2 152866044.5 147979727.3 148535252.2 169059633.5 176978176.8 149634808.8 148966069.2 Glutamine 1862735182 1429263228 1715585623 1630897926 1662293148 1426620395 1948226492 1976282058 1328180166 1425119975 1395945175 1393513327 1780633588 1590320101 1572642047 2889998906 2344718737 2673249504 2583421092 2370030823 2149399454 2420953741 1534596032 1636954820 2428803534 2235043395 Glutamine - IS 164721846.8 166470582 175323862.4 154717749.2 167938216.5 164432835.4 156171220.9 159181709.1 179528005.8 194368921.7 167022931 183422239 174373778.7 158087377 159944501.8 130369360.4 134185951 140057997 137936967.8 154558696.9 141197166 140528703.7 165045135.4 187456106.1 149143811.2 146778937.7 Glutarate 1545073.829 1939284.089 903191.2467 631248.8505 754128.5787 685834.6414 1399010.05 1731896.951 602226.164 815988.7685 1149136.044 546404.872 647232.4139 833004.2187 932441.9585 822722.149 1197260.749 2658186.752 1468853.723 1973022.727 1088574.025 746405.7129 985442.9637 1078709.711 702242.8199 463627.024 Glutarylcarnitine 2318348.129 3358192.595 2685969.672 2558608.51 1019626.133 2131374.733 2745144.147 2109193.187 811701.5038 1306477.426 1474437.801 920098.0659 1210381.563 423541.1744 542415.8528 1945023.982 3442635.229 3327859.336 5533092.959 2502196.709 2034220.129 4692343.29 3867811.61 3860724.945 5309119.949 2211725.056 Glutathione disulfide (GSSG) 3727103.9 3101528.492 2811586.837 4137050.918 3174408.517 3609745.952 5401577.266 3789883.432 8927178.041 7903085.694 4891596.443 6911679.035 9628110.813 5864894.139 4923180.741 3502042.768 3057313.059 5786238.683 3358417.581 3052624.316 5209640.401 4436152.369 5154306.493 3502910.891 1679510.875 3558656.055 Glutathione Reduced (GSH) 209459050.1 183332854.2 185776977.9 306713346.7 179346522.7 202451856.1 191009805.9 248153179.3 239269767.1 222290422.7 292439135.6 261466678.3 239395655.4 258587041.4 271707683.7 274946437.7 298237921 299989213.2 262646366.2 189777277.1 380910697.3 267932959.1 262669587.3 268838284.8 199894147 187895165.8 Glyceraldehyde 3-phosphate 4185690.601 2066284.039 2434584.548 659477.8411 1624825.344 2155254.508 1925112.198 1609599.833 2369970.981 5962320.968 1314097.601 4738802.853 5187610.331 6199904.221 3052520.782 1347491.505 1908361.84 1020256.397 2989763.073 1994709.634 1612105.076 1305187.034 637845.8555 810934.4181 2056520.654 3632294.753 Glycerol 3776253.372 2492352.192 2251620.942 1802626.12 2388388.063 1687871.875 1691316.636 2935386.41 1950734.571 2075288.381 2264540.237 1764757.709 2301027.011 1745665.532 1804427.112 1824407.632 2939936.387 1632029.031 1360328.184 1742664.159 2279904.37 1540461.527 1954652.383 2248032.122 2392387.552 2296783.099 Glycerol 3-Phosphate 18314869.65 17035147.62 24069690.78 31874510.89 22553903.51 23264421.47 26415585.7 31043591.25 24593161.97 18215492.89 25817788.94 11696282.59 16328060.33 12843737.57 21077616.27 27472588.93 43407059.13 28038639.28 29504730.41 25061715.97 36276210.59 33507595.49 27842245.63 29910276.21 24014649.96 18814261.6 Glycine 53169130.92 46184506.61 61057115.58 50952531.03 39685859.54 48866678.78 57467151.23 50555560.04 37884029.78 42346562.96 48447087.42 44353549.53 42924056.06 45129455.13 41141396.35 46019668.6 50898067.94 54309791.88 54313899.71 50069781.15 46046463.23 44656488.23 42431801.1 41409200.85 46684405.22 40449745.12 Glycolate 5311240593 5542777479 5371458300 5506734658 5499314481 5631695835 5434525806 5471894072 5533398118 5467044882 5555642543 5501813720 5540060943 5301311958 5551901681 5571277411 5422895291 5444376224 5476609206 5502337037 5397527803 5461175179 5360066998 5501714221 5425381267 5517161130 Guadinoacetate 140904776.8 105039933.6 180691560.2 203006671.1 73001351.21 140032540.3 185956430.2 140352930.6 82611363.62 80121136.56 120178097.4 137554470.5 121538036.9 102831390.7 116183584.9 96881097.45 143753920.5 160874992.9 219505251.8 174257312.6 158948684.7 243588664.6 169597463.2 144673593.7 210637195.5 124252374.4 Guanidinoacetate 140904776.8 105039933.6 180691560.2 203006671.1 73001351.21 140032540.3 185956430.2 140352930.6 82611363.62 80121136.56 120178097.4 137554470.5 121538036.9 102831390.7 116183584.9 96881097.45 143753920.5 160874992.9 219505251.8 174257312.6 158948684.7 243588664.6 169597463.2 144673593.7 210637195.5 124252374.4 Guanidinosuccinate 167268.9348 105782.4224 203714.3784 320746.099 133528.3052 137750.2285 291570.9616 134786.0836 58765.23193 50436.6137 17019.70871 40987.07184 11818.55517 22583.64157 0 119409.0045 110769.42 141011.8587 221711.531 213268.7105 96372.64246 384895.0116 80996.48964 35712.51635 325510.9408 222550.3509 Guanine 23146981.24 21314116.69 27572404.62 20141277.97 19240566.21 22874339.13 22940133.86 27130703.88 31699524.39 24618432.63 28130616.29 27352915.48 24886238.54 33909352.32 26476388.67 21769148.16 26305800.61 23912942.44 23930585.09 20256800.35 25156482.1 22329332.98 20526496.41 21727900.21 22758903.31 16442810.46 Guanosine 25140484.11 26971384.43 32508407.57 17175365.99 14880982.37 18158596.5 19614454.66 14777819.4 21731942.81 23321034.01 20790830.23 29295990.7 30904430.01 31410256.02 23612053.4 15434485.27 14956664.86 11125663.51 19907228.31 18513997.67 10411310.31 10633563.85 11119753.9 10341826.58 18381333.97 11907401.7 Guanosine Diphosphate (GDP) 1696406.719 1605847.227 2081301.694 3101322.758 1765699.382 1787480.669 1847044.409 1985956.437 1802101.088 1869850.4 2005196.53 1619723.102 1554327.985 1551765.882 1736614.664 2257434.796 1714357.859 2415641.505 2929271.031 1777332.885 2954745.532 2909504.071 2643008.399 2072142.426 1760662.402 1553935.384 Guanosine Diphosphate Mannose 838721.71 822089.119 952623.6249 881756.9838 680787.9743 784391.2435 836559.6755 1015006.883 982061.9926 928663.071 986984.2644 831953.8304 882467.5189 910944.1401 810863.226 885905.3413 961796.7945 867454.9707 917847.0115 774986.8409 923614.7808 907934.727 864098.7832 815457.8674 870868.0393 693137.5255 Guanosine Monophosphate (GMP) 43662353.76 37738565.39 47338235.6 36147231.84 26229532.92 38793102.77 43779080.86 45806213.61 44615756.95 37367965.28 48304991.98 51090917.5 52660076.48 60302938.45 43549297.89 46233303.2 54170297.65 37687433.62 50095640.78 44726632.04 28393236.25 37395635.92 33370462.88 32749326.08 48081402.92 38862330.68 Gulonolactone 185292.7113 72423.44664 155236.1012 112129.5869 143310.2332 97624.4702 519498.4945 285609.1924 100537.3993 69123.34055 93703.29192 21052.94546 99976.94099 63101.60994 146026.653 210010.5311 230896.997 265069.5161 375262.7881 360954.4262 107765.0561 359875.1751 122724.7462 112411.0561 246964.9201 88220.63948 Hippurate 11181374.64 9040197.202 7177915.767 9169607.973 11437036.5 4563732.167 14322454.02 20209774.55 8845601.826 7708199.262 16776533.67 18023007.26 7935174.151 9005213.94 6463320.28 12492092.26 6467910.018 3525820.041 14608728.05 8078650.03 7092771.852 20712323.3 4557384.164 3662845.711 23499952 12595541.91 Histamine 41947383.64 52811302.48 35270038.77 38246636.47 40169634.96 26358494.11 70556645.71 73934828.42 21752731.12 29407227.95 170568392.7 44555131.02 24558366.66 27888500.73 18136794.59 46140828.99 53474228.16 53353465.97 96878818.27 70580773.85 57652022.14 102793201.7 70638439.82 55369722.78 94914514.49 53554616.05 Histidine 417605283 329450222.5 410653863.5 372414265 314267718.6 321255188.9 490417619.8 353704383.9 332285331.5 309034445.8 270747672 270969187.8 356169996.4 252075843.6 307607904.7 461521234.8 240403264.7 315887643.9 285386116.3 293348948.5 270473601.9 375926043.1 165920233.7 151100040.5 291197291 293702432.3 Homocysteine 2881987.183 2142908.739 2847792.815 2870967.716 2868381.222 2516380.223 2838360.453 3330029.669 2594366.458 2122699.523 2178272.068 2285203.594 2407163.914 3057378.948 2455042.707 5656409.568 5646530.349 5658595.304 5076771.784 4868494.868 5262660.388 5110785.811 3532481.075 3206763.055 4762307.884 3788981.047 Homoserine 538089568.5 447426180.2 528432376.7 461480950.3 393920806.4 458541125.2 577581043.6 470720766.7 508489895.4 408371385.2 475032382.8 371797999.5 453663122.8 412023598.7 401691916.3 562785118.5 541610936.5 588121946.7 669961150.1 506571903.2 504282678.4 567740108 396289280.5 382990906.1 520120808.8 461543197.5 Hydroxyproline 301284526 229088000.5 360637365.3 307556388 233545449.6 327808449.6 404761822.8 356395734.3 227903800.8 179956338.9 194769907.9 143010360.5 173857926.7 185750794.3 206201665 300240394.2 341034256.4 368846276.6 362173207.9 323959105 353932715.6 305623702.1 208150184.2 223721181.4 252770330.6 229460822.6 Hypotaurine 178126233.1 170322553.3 119924817.8 216671798 105395251.2 93309880.45 161734300 140571653.8 93589790.45 92203343.2 176783265.6 183689251.8 176323438.3 193016959.7 147532185.9 191171391.5 150357923 161667345.4 149886429.1 112012483.4 180624299.4 131243965.6 102184256.6 110598015.1 128985908.6 85310292.7 Hypoxanthine 340567388.4 329747469.7 344581207.5 241329591 231052910.2 331834740.2 314017011.9 349727428.3 338243199.4 337304678.2 338734944.1 378970258.8 418322427 458937124.7 388132428.1 273580242.3 331979059.5 277245697.9 327351113.1 297832133.1 318325166.7 276191618 268445080.8 225565754.9 275339421.4 305850129 Indoxyl Sulfate 11715748.94 10916112.49 12431107.54 21915393.91 9745418.227 8640161.594 23623824.87 19739695.61 10731575.18 11091885.32 13808863.4 19347738.23 17710084.45 16696277.9 11451818.99 12522114.07 10626853.83 10312790.93 18074020.67 13496192.86 8680265.521 13649926.42 6475370.312 5320370.472 12035024.53 7565721.822 Inosine 68412767.04 88003063.93 88352415.8 39283635.14 33914273.94 57928638.16 56823823.65 43984261.77 43814220.8 62923040.4 49546640.39 80289602.94 91970199.16 81691702.57 70003861.83 60137557.27 58124716.54 31531204.86 57040255.34 55896295.58 47587570.44 35601977.7 27611531.08 25251014.68 38569056.94 52769683.06 Inosine-Monophosphate (IMP) 25395230.61 31833990.57 30078114.76 20214463.7 10920362.26 28195711.51 29320493.32 16316330.78 15935391.45 22716876.15 23398898.03 39391678.4 47118294.04 30359129.59 32038598.79 21150269.83 18577789.66 23886918.61 33975044.95 29995401.06 17343429.56 14273324.9 10836181.66 8939593.667 14855894.75 23140504.22 Isoleucine 375439546 253353597.1 337757955.5 215637559.7 245784762.5 329839727.1 346071645.9 324270303.1 246105048.9 246264975.4 254396498.7 150266247.5 153518995.3 159142498.8 245428451.2 334943407 343971106.3 332204897.7 323968267.5 314688565.5 353122342.5 281752067 213830969.5 200153665.3 269343850.3 251309973.1 Kynurenate 3872674.013 2673534.067 3509644.316 4889137.581 4186197.155 3838893.716 8013089.093 8184482.554 2213165.954 1749736.296 4886824.449 2488279.969 1397295.752 1962981.67 1611462.745 4634365.467 5796870.859 4568407.363 15084638.75 7182456.568 5716218.004 14882525.61 6484773.904 5406299.51 15839860.44 6260104.272 Kynurenine 26032145.14 19852219.96 30032555.13 25526145.78 31277964 28759418.53 33282819.17 29849470.65 25064225.37 19049550.47 16422712.78 17058196.06 19117550.13 29659557.05 25009277.22 32859768.45 28651618.88 25350245.27 29019293.53 23895832.8 30852053.98 33086512.11 16710004.3 14973651.91 30766711.01 20436887.18 Lactate 566252681 497478546.1 479485020 461253364.3 507159780 468461847.7 511430377.6 524288067.7 588732767.6 482423402.6 533433924.4 606509089.4 498215561.5 563329491.6 501731191.3 469276869.7 565968099.4 529837532.6 546229330.6 527267125.8 467049955 494082204.2 518418528 475815389.3 531646876.5 455707543.6 Lactate -IS 50495975.73 49774351.54 49794862.84 47920405.76 48093167.48 49893371.58 48902029.75 47992144.17 49149771.45 49706161.61 48902184.12 48369188.45 49710114.7 50056826.3 50593437.86 49381722.7 49900534.6 47067651.38 52012651.28 46383186.11 48053741.51 50279893.69 49949278.3 49952346.43 48925995.81 47748860.53 Lauric acid 2137751.952 7404145.723 4154397.053 2537370.658 6390760.898 1756651.997 2360201.47 4444846.767 6219099.617 45829809.67 3563414.644 1599233.883 1717883.09 3782577.932 1547359.181 2095889.804 3276901.103 2384287.14 2462584.716 2140039.674 3477670.145 2361711.83 2311761.87 9681975.606 1791034.122 2264812.035 Lauroylcarnitine 1922775.006 2907908.862 2942621.946 1436460.509 983890.2403 1421425.049 1709987.643 1916055.83 1765392.393 1513530.906 2382390.498 771612.4804 1233588.654 1563926.77 1514074.991 2411698.094 2978618.699 2570149.719 2512114.351 1861655.535 1807210.728 2356429.853 2134481.456 2280747.965 2026023.796 959007.8834 L-Cysteic Acid 2612911.07 1768269.814 2646165.676 2525911.598 2306281.146 2682255.345 1937343.561 2138203.806 2487215.867 2433142.688 1846651.102 2418129.916 1914677.584 2433474.292 2090666.882 2543482.051 2347340.719 2348666.351 2314260.78 2095008.975 2397283.916 2403813.416 2418756.63 909834.8807 1985020.433 2206281.861 L-Dopa (3,4-Dihydroxyphenylalanine) 479832.8635 348699.0481 312737.0859 318186.4008 177270.2217 402803.111 176822.7399 341815.7823 648614.0184 749445.7328 432742.2433 752499.6768 0 772736.0307 365729.9784 326011.0472 128624.5522 530157.8121 208017.7664 792248.8449 434697.7399 420511.1248 661909.2691 621225.5901 150832.3447 501068.4606 Leucine 1126561189 847335192.4 1072333264 697968443.6 671274106.1 1022517883 1205690353 903551595.4 821093557.2 775922712.8 833251113.4 536725043.1 605685037.9 570724486.9 689318422 969790566 838191924.1 906410432.1 809440730.5 766976138.1 850583374.2 882564605.1 518401186.8 476759144.3 780795137 700286142.6 Lignoceric acid 425234.6379 162168.1528 145574.8374 503883.0096 299686.1562 210161.5765 257598.846 1302292.506 240473.3348 480255.1113 352781.0167 483419.0023 397010.266 187218.0588 248753.6241 194090.3918 796819.9487 256132.7434 491207.887 539092.8315 1678664.057 391261.8873 1427107.506 409123.2591 1272410.576 940386.3876 Linoleic acid 24828310.91 23371535.89 32937034.89 16200525.68 17450777.72 17125834.54 22833017.3 27694728.17 31142769.21 99705668.39 25138825.37 15822245.83 22779992.25 23455033.25 20175015.51 20052545.36 42606453.59 19002910.51 23543398.75 22398189.26 34886717.8 14566736.65 25791783.61 22759813.61 32222452.04 21016034.34 Linolenic acid 1832082.166 1539029.417 2253785.778 691934.9865 765683.6908 1299275.363 1673504.003 1341200.605 1606048.859 7878222.846 1688054.504 852712.2399 878708.5087 1543995.328 1135492.542 1155525.663 1922335.023 1068247.68 1489735.685 1359509.983 1963004.191 526972.362 1268771.994 999070.0417 1327253.452 1031774.679 Lumichrome 0 153853.3163 72827.67079 221138.4874 124790.9381 117515.8124 76740.20056 181572.3618 91805.69794 111063.6847 159846.9979 108863.5953 89725.88619 52577.53626 111483.7376 132878.0431 131458.7257 57858.24284 83312.64217 73175.86702 111823.6138 66123.27835 89303.86028 76120.78522 62829.39667 43936.04193 Lysine 252658194.3 193291939.5 239833778.9 192645143.1 178352859.2 225765361.5 271811456 180550583.5 181788660.3 213275896.7 193480629.3 160759380.3 188178465 160883800.7 156093931.2 228710072.4 214281575 248983959.2 245623664.7 202254352.8 198943182.7 195987492.8 165819669.9 153577450.2 193713185.8 190291730.2 Malate 262124375.8 214211053 270790483.4 223471732.7 198704037.3 217230833.8 313824431.7 350013771 230280753.2 194638296.1 230181196.3 205384526.7 226123753.6 235073544.3 193270774.8 258242415.8 298048019.8 261503522.9 258697402.5 252770391.2 217866586.7 217136720.1 186013690.5 193266927 202017665.2 154280215.3 Mannitol/Sorbitol 945918788.3 15058033.99 19798579.84 19066948.42 13132952.43 17100092.92 21491648.4 19830797.85 11609986.32 11144719.07 14127930.7 11807223.01 12370201.2 11269196.15 11417348.36 17911070.59 18929957.52 20145971.15 17608081.91 17273372.73 17738910.57 16059248.01 12658461.23 12716499.69 15058117.5 13433431.41 Methionine 703078095 558544760.2 671256275.6 728000224.2 613148440 611879392.8 743960533.1 735540313.8 604748931.7 523519804 580172744 524036542.6 562398442.1 560038843.1 605104230 857881057.5 808431955.3 845281191.2 822667368.8 703661460.6 782529256.8 721415900 520306260 483759037.9 640190027.8 524979870.7 Methyl Galactoside 1389653.174 1147076.072 1491874.123 750408.0132 506713.6903 819680.2701 878343.7585 623988.8974 885354.6054 1472352.59 1093735.875 1719671.441 1581448.564 1638464.778 642103.6015 652502.6109 441785.2286 375402.3799 958552.3456 703030.2468 226437.2202 409672.921 199887.9963 272010.7299 764869.3821 614896.8477 Methyl Vanillate 10350137.48 10207916.28 11039410.49 11106439.15 9265319.302 11493079.38 14791907.32 16475588.3 11725404.64 12520013.93 17706047.83 11497075.09 12124347.53 8831479.74 12078600.36 8523117.251 12766403.27 10082226.98 12198664.58 13561886.5 11010413.53 11634671.22 10179325.49 8889638.531 8642925.179 5758460.588 Methylarginine 2469941.551 1719622.188 2293493.539 2258204.363 1904222.014 1798826.748 2698570.596 1968214.494 1631893.596 1495542.495 1259471.571 1858631.103 2010240.658 1580204.306 1414202.365 2813760.23 2619300.763 2782724.324 2791077.942 2374893.565 2077287.824 2121171.863 1277969.533 1310074.319 1828437.462 1765682.881 Methylthioadenosine 16121544.66 15562615.89 19437902 15747338.25 15867046.76 12318025.35 16348776.43 15453033.59 19116663.61 12546210.93 12937479.46 16859573.01 16360360.97 17952348.06 15112774.95 15660436.6 20505671.35 22632417.92 16633870.95 14857616.57 15821511.84 14453965.23 13645849.98 11049635.62 14561091.48 10833647.13 Mevalonate 420746.0833 442352.5886 600110.8881 788198.3442 450956.6292 430347.6417 763723.5683 725614.7638 381101.8225 379163.005 418762.5294 351214.405 325302.1234 251384.9117 228079.1601 282389.5055 469098.7461 471200.8898 523575.8949 533309.5454 442596.7821 410458.533 418691.6754 345126.69 424635.6424 383905.8998 Monoethylmalonate 955947.0254 918278.1261 1429204.143 931852.6033 717959.418 860787.96 1232542.067 1031311.708 1006193.344 1430910.833 1838777.356 1144791.973 944294.4342 1150267.697 795507.6772 665165.4133 864153.6005 910402.7136 842217.9109 902576.1599 693324.5354 952343.627 1201533.539 1121643.079 1492529.108 642461.967 Myo-Inositol 40965967.38 35240673.28 51647725.8 47282897.83 30672112.13 37569054.18 39638624.11 52049057.9 40052079.51 34021026.66 51865598.84 37414366.25 39451999.35 38207508.92 33625888.34 41886797.18 51596981.2 49439082.46 46049407.31 40211144.96 43295997.06 41937325.65 40145943.11 37976903.52 38982676.67 28913561.98 Myristic acid 10642527.66 14292227.73 13914876.28 11947875.32 16534434.55 7662170.223 9671558.727 14836741.84 14610598.13 19190256.56 13086084.14 7813171.38 6925932.295 11908918.19 7337573.605 7625963.742 11768651.17 10098714.74 8365045.434 11028487.15 28617818.67 8620605.323 9986441.585 15630901.39 8991926.226 9803688.391 Myristoleic acid 1189696.745 2545543.114 1779866.034 1260982.474 2557248.729 1042441.69 1190188.44 1625460.471 2169371.246 3616246.405 1981487.777 588172.604 706552.8802 1354921.123 620041.0254 521315.3056 454630.6682 777163.1922 904027.995 966099.0811 3494151.099 464146.4338 895202.6649 2726706.468 286972.1251 554961.4224 Myristoyl-carnitine 1937798.252 2399413.484 2058317.709 1230463.172 1005829.588 1327587.916 1958677.691 1811173.614 1781549.036 1602475.668 2419742.433 1045441.878 1234413.262 1587951.546 1449559.378 1830089.572 2321681.841 1844523.794 2577555.106 2001397.053 2433259.326 1948231.339 1873339.646 2015451.356 2351633.831 1499220.96 N(6)-Methyllysine 5374767.376 3933909.529 5770441.488 6002366.038 4191765.508 4597377.147 5808267.326 4698451.734 3865093.476 3680642.779 3530360.438 4306583.765 4761557.04 4156968.751 3478048.496 6880231.129 7377336.56 6966323.879 6993445.681 5916381.484 5892085.716 4760093.753 4423755.526 3760794.694 4617413.518 4224825.915 N6-(Delta2-Isopentenyl)-Adenine 58125461.71 55588118.39 65379483.56 76235448.21 38457338.7 50435765.22 57036180.23 65304764.53 54014662.04 52950924.81 59443020.64 46130586.16 50735505.69 61710788.77 60514686.5 68999769.52 75550393.6 64950769.08 74172183.44 71417858.63 57280429.47 68807340.41 56301140.08 51881081.26 67008378.82 41621596.99 N-Acetylalanine 1920155.312 1782047.586 2052575.215 1974778.773 1376688.535 1878395.493 2201963.687 2287104.535 2249854.681 2150557.839 2039837.48 1790497.707 2169791.576 2245385.055 1856182.677 1779536.93 2323121.769 2501563.685 2393503.151 1959067.909 1895751.296 1576860.811 1855871.303 1457395.465 1562581.169 1364738.278 N-Acetylasparagine 566165.3175 405980.192 541370.4642 685180.2938 497566.0983 479137.528 950607.2405 826409.2684 371350.86 287375.1313 388437.589 323256.769 323435.0834 332097.2337 357425.8494 982115.8359 970395.922 1057300.906 1347882.818 984002.9787 745688.6923 1407976.522 510926.7109 377291.8285 942573.931 481243.3551 N-Acetylaspartate 1226069.502 1252987.372 1682606.893 1168182.967 1197992.048 1229567.893 1189211.771 1373694.087 956080.4049 1761752.255 988357.4922 1252229.327 1069159.084 858844.4287 1314627.726 1093692.283 1087317.182 1378313.136 1037678.777 1523114.284 1314605.035 1134924.212 1102021.72 1150372.422 941763.8218 1321160.077 N-Acetylcysteine 73020.61297 401697.9147 139763.7057 272482.5434 350484.0533 43015.93637 32957.29801 168232.8875 291938.8824 250469.9338 265222.7121 184826.6239 0 316048.5823 330037.6712 378594.8498 886750.1298 428871.4184 448712.9412 99993.47967 467152.5561 569906.6669 443352.1893 441953.0539 172730.0644 302897.2483 N-Acetylglucosamine 11870637.75 10381264.26 14609306.57 13444306 12194296.07 12179623.45 17026202.09 16662490.97 6927143.082 5840283.476 7273428.436 5998080.455 5952031.238 5373735.588 4302680.705 11037591.97 12629731.85 13229868.89 15611226.23 14646422.09 14533289.38 14507268.54 7300958.349 6745918.826 12189614.58 8371259.455 N-Acetylglutamate 662743.4007 563081.8757 471494.1711 437318.2419 530933.0009 354000.5926 708536.2798 568648.5156 463656.1184 1281141.463 646116.4523 635743.0695 443009.4949 470768.0059 461924.6311 640144.3197 871755.564 881505.962 809239.7574 705313.9588 788016.4539 629606.085 725184.277 664832.8814 469892.4179 425670.6875 N-Acetylglycine 304493.4833 341224.8586 410221.5173 314771.8715 276394.6391 338886.894 438375.3595 424706.3073 259339.5514 215317.2818 285053.553 371953.6461 285447.9907 303181.3753 212732.89 445677.9685 505851.7139 578879.9031 446897.8356 409923.0857 443716.6283 449508.1445 346101.261 296730.7639 384007.8823 201198.071 N-Acetylleucine 929593.3804 667756.9714 798115.7583 579963.3291 566962.1439 496248.7028 1289737.319 1008934.366 323416.0349 255594.0972 474652.4869 249075.6823 228060.6145 300385.6157 244375.4435 1322237.174 2018759.038 1484651.396 1853989.845 1501342.074 1285878.1 1220377.022 624696.9951 450206.0915 896069.1724 621890.5603 N-Acetyl-L-glutamine 11007758.35 10792187.88 10273877.3 12920892.41 8532901.778 7007288.772 24132518.06 14475990.39 2415851.069 2751550.92 3260353.906 2368461.056 2987330.408 2736513.194 2451484.497 39997778.52 36995606.18 29431527.17 38356071.01 27162546.56 20870078.96 18397432.37 5145087.54 4468966.801 14767316.23 11693939.64 N-Acetylmethionine 512385.1561 462299.091 658694.1549 540378.2812 511884.8063 375327.3617 756759.5333 1084472.467 584925.5306 469302.5095 543210.1563 500735.3372 394986.748 579311.5358 514749.4099 872702.2083 1394188.622 869800.5665 1624462.538 836624.0061 783769.0864 850543.5597 431829.7171 499295.8622 972667.8947 639989.9165 N-Acetylneuraminate 44173347.29 44504257.82 58116878.41 53336030.88 41156495.46 45913190.82 56287186.46 66505799.93 14078940.66 11878459.85 13921705.48 12593264.19 12927097.12 11909964.78 9559830.974 53687908.14 75685425.36 77752136.76 71653265.5 71111595.39 69335490.27 37724553.22 22968464.18 23400208.55 33875234.04 25209892.6 N-Acetylphenylalanine 339545.9455 252070.6161 348444.5691 248739.7114 218571.1471 204154.3699 486638.973 430070.3467 274582.1607 233954.9793 253060.7779 181566.8836 288611.744 135674.5635 222352.6503 243012.2745 434785.1751 389279.5659 291697.8154 291589.8327 351934.5711 339859.9118 372796.3622 246876.4174 276873.0942 153122.1616 N-Acetylputrescine 5289583.128 4449788.876 3895179.886 10120466.72 5981810.669 3385743.91 9319437.658 7229296.917 4010128.29 2889196.628 13132231.81 5470924.166 5752926.343 5736671.041 4784228.358 8839979.423 9162433.038 8928673.085 24933707.71 12399800.17 11255365.76 17074358.37 13336822.56 10102017.76 14920991.67 9819399.151 N-Acetylserine 6375636.455 5820091.545 6819182.801 6502771.609 6258926.997 6199785.623 7928290.796 9663758.371 6271779.428 6206981.701 6782880.388 5532640.161 6017626.049 6696205.8 5798105.184 5864859.784 8878878.03 8102396.315 7525444.68 6038894.287 6009585.448 5435216.069 5215250.914 4421870.858 5699900.423 3913761.707 N-Alpha-Acetyllysine 8835065.215 5822556.425 11089987.41 10909837.6 6502837.974 6190280.674 10164837.11 9784556.654 3074247.277 3038644.302 3581029.937 3534624.547 3633889.217 3126394.37 2461725.441 9941342.427 11278928.44 9538874.557 12633360.8 9988652.582 9135392.345 10707521.16 6610178.484 6443687.006 10994368.54 6187619.399 N-Amidino-L-Aspartate 167268.9348 105782.4224 203714.3784 320746.099 133528.3052 137750.2285 291570.9616 134786.0836 58765.23193 50436.6137 17019.70871 40987.07184 11818.55517 22583.64157 0 119409.0045 110769.42 141011.8587 221711.531 213268.7105 96372.64246 384895.0116 80996.48964 35712.51635 325510.9408 222550.3509 Nervonic acid 218068.4234 18650.14562 145369.9594 332644.944 96793.17732 244373.9957 157247.9777 1264990.833 59383.97429 234468.7273 294041.6005 266158.2059 237842.0587 155806.4087 128881.8884 94805.14616 507698.3027 149265.5373 270938.5061 584392.1693 928309.5111 172846.6438 827368.0637 217665.0605 862378.0861 487591.11 N-Formyl-L-Methionine 176970.1866 204681.6284 199957.011 238501.2064 158174.5263 136385.8185 302376.2008 373158.8678 132139.5387 96049.23586 141758.7415 124598.8503 20616.52228 153510.2018 129005.4184 345674.5944 589944.4189 353795.4858 563336.4521 314128.7643 276031.3756 315869.5589 141107.0975 156697.4748 271985.8379 223332.4319 Nicotinamide 526672560 518012073.3 563361127.9 464189627.9 356396560.9 467651279 529974011 548238605.7 547402019.1 485931005.2 611339374.9 558839003 578167668.5 639930405.9 523446847.3 533707364.5 546873923.1 498765430.7 552007053.5 537935345.3 340248440.1 418792229.9 380978420.1 423991581.3 512117214.8 401762893.7 Nicotinamide adenine dinucleotide phosphate (NADP+) 272067.6085 211422.1253 342281.483 710150.6031 248607.1549 279943.3088 252249.8031 367583.4017 313338.3573 288237.0906 355264.7686 389403.561 329470.4054 247365.6808 255464.3299 380049.2478 713496.4544 558460.6972 471100.8734 323965.9329 1031968.065 683323.6665 711391.9245 516537.886 235840.084 157006.0757 Nicotinamide adenine dinucleotide reduced (NADH) 2019685.845 2049832.883 2697104.141 4690726.712 2312914.282 2433796.045 1586155.297 2407500.847 3048474.322 2424328.65 3711290.78 1125431.086 1045342.246 1547886.256 2881701.963 2641571.972 3411202.83 2939086.077 3126714.264 1825238.711 6925042.853 3814213.071 3455024.578 4179442.022 2991566.107 1340331.514 N-Metyl-Alanine 138485362.8 91416078.35 123065472 142109576 89562551.59 99830689.72 181046340.6 138882566.2 74563846.86 102916944.5 93315016.02 114735649.8 119268807.5 79716881.29 81622187.23 105958960.4 102052426.7 126565837.1 126628652.9 129576642.1 82358328.82 155208801.2 85139514.5 87392494.39 140210615.3 80389109.11 Norvaline 673056213.6 495891055.6 635551468.6 409593016.9 373398328.3 584621292.6 665238288.6 507491045.8 592990098.6 515876644.9 614603551.9 333586431.2 385103561.8 328594146.8 398802941.6 553180936.9 532636479 590427731.2 532465970.5 507018552 538382701.6 511722614.6 353482755.1 353055312.2 466327837.8 390740811.1 Oleic acid 49486842.57 40529765.16 61309539.26 43528013.61 46489780.02 45772853.46 50981244.43 67504129.88 58123905.91 78740344.35 67269125.12 51034653.2 62088839.6 63737534.36 45828794.96 43442106.87 72967816.46 34534686.57 37345605.15 48877325.71 80047144.4 28797060.79 53633744.4 48696485.04 62084495.71 53198035.95 Omega-Hydroxydodecanoate 71839.46419 188601.4665 42552.88104 46356.31132 114747.0261 63410.51341 146286.5213 88923.31564 98516.02708 38901.0931 84225.89342 35790.38765 29390.48837 71331.69795 101331.2727 122056.4693 55000.41241 41744.98293 0 101404.4642 60771.37684 122646.3813 64064.2512 89111.03841 72276.75037 60239.85402 O-Phosphoethanolamine 592545565.1 488820193.2 615705155.8 626638125.8 447050365.2 508423831.3 590506933.6 654011124.7 632041862.1 573289888.1 800363008.5 634749718.8 640720227.3 731703579 655697199.6 557912320.3 621463983.9 661763395.9 636158169.4 518377275.2 605177634.7 615767890.3 657424507.4 620428604.1 583728807.3 446780907.1 O-Phosphoserine 58523.9232 45301.09884 162011.803 209538.5883 109484.7959 103984.351 70704.03626 153544.8167 145989.0269 144850.6084 102409.4269 118343.3607 114560.0357 108792.0197 70893.90946 326846.697 353584.97 181554.8075 156838.2531 72971.04416 233630.057 237224.4286 155662.5154 175764.7456 231432.9046 141342.7543 Ophthalmate 459720.7908 155468.938 423457.4249 543190.636 349158.759 338568.4125 335699.0629 748994.2456 278226.1034 44349.74406 109269.125 191000.8803 265807.627 277480.2842 220551.8213 738823.6527 898840.0079 596203.2735 891220.8097 586818.2525 801397.7178 966259.075 409762.1204 341723.6702 690106.9031 419980.3146 Ornithine 34139454.3 26792156.55 29766862.18 23812621.97 17113849.14 25973164.53 33793660.14 20316260.28 22081916.89 26459449.88 20673328.52 21104785.39 24817379.5 16054872.22 17180699.21 34247287.58 22482912.88 26130017.11 27671302.83 24701790.39 23643580.68 25238093.3 16334518.7 15309353.38 23727476.31 27689841.05 Orotate 5264518.59 5657869.072 6535460.025 7266241.752 5108282.522 4860368.862 7180894.975 7962806.772 7298282.521 5301343.056 6160405.212 6523008.697 8067453.667 7846604.299 4415092.738 5082625.884 6772927.273 6937948.269 7204110.811 6948112.874 4054266.216 5900941.844 5682414.086 5316375.996 5777116.795 4127122.817 O-Succinyl-Homoserine 1460819.695 953820.0102 1471666.387 2293124.296 1374558.366 1665208.73 2048868.945 2009990.865 679942.6093 520859.467 494750.8088 1023377.279 661153.8652 566146.7855 412988.3102 1890588.788 1669220.31 1223226.755 2202637.072 1673585.465 1621526.359 1942929.348 887066.4002 760176.7451 1715592.01 927117.763 Oxoglutarate 4852416.915 4562060.582 3589748.755 4817512.965 6573227.701 3152868.036 10924262.11 8591616.409 2331355.646 3354632.804 2980392.963 3686537.192 3550006.76 2567318.842 1877220.362 4020810.995 3948954.42 10303306.26 3682403.645 4472167.264 9046565.196 4702669.707 5002243.292 4176995.778 2342745.016 2293855.397 Oxoproline 40283172.8 41854253.22 48647210.48 32734176.86 25793255.09 34052641.91 39287948.94 31268695.63 25046960.47 21063123.31 20381390.97 18201130.67 22158421.31 23547974.3 17281664.56 41913580.05 32194717.56 32631271.45 46694163.65 37922132.52 18405185.03 29224013.56 19735509.08 15406279.29 38082796.71 25262977.54 Palmitate 255556139.1 199179126 233473553.3 193566870.7 162773950.7 168660361.7 184615445 370385365.1 204135371.6 268278562.1 254156511.5 154176880.3 173908933.3 250472228.3 219566071.1 205072020.2 335613711 223712175.8 207954993.1 260096770.8 329007982 222390900.7 348672425.7 187249144.5 396257867.5 280820248.5 Palmitoleic acid 12563689.18 15836968.84 20613161.08 13687643.98 22057279.69 10476653.41 12380787.94 18845167.56 16496255.63 26276534.31 18910637.49 11723254.71 12577163.56 17645592.16 10877578.44 8508032.773 13073050.99 8386255.387 7943699.676 11267245.96 39413930 5626840.443 10428472.22 20034749.67 9910471.345 11892203.83 Pantothenate 107995710 71112054.67 80843384.88 107782989 129725810.1 80900798.8 79156250.56 72070310.34 103285509.5 78215714.01 67954050.57 59143622.2 65787883.03 89008083.26 59334317.24 129241481.9 108656643 90484231.48 101427814.6 70944497.85 94386389.7 113648221.1 60008958.4 69986909.11 120609708.6 92488244.18 Pentadecanoic acid 2888553.125 5654736.553 5489307.589 4106876.122 8113143.732 1858317.991 3048775.415 5420114.413 5506335.649 9246268.576 4499479.99 2727717.354 2094555.063 3655895.126 1647284.583 2156191.784 2645999.384 3231758.409 1598238.44 3701785.163 10062574.16 2189853.613 3431225.873 7066936.149 2009836.827 3137887.162 Pentanoate 662760.3768 905231.9093 650785.5451 651139.4968 607453.8089 862725.1999 797475.8939 642628.6003 799384.1041 626944.3535 909951.3211 951978.7764 631184.0025 694562.0036 696064.7463 646799.6206 726055.1279 674009.2873 635285.3531 629187.2782 382465.3609 566494.6553 859821.5889 688002.7306 641826.9114 652295.2112 Phenylalanine 847285982.4 653901794.9 757908681.5 635534031.6 615142916.1 757068935.9 821288154.4 808161396.8 734720283.3 647926697.5 716640896.8 558790759.7 656056296 609046299.1 662396437.1 932830485.2 842741475.5 998553349.1 801494208.3 800997215.3 794112156.5 860704276.5 611528162.2 552939603.6 769238010.9 604838368.3 Phenylpyruvate 84247.4685 10179.13296 25750.83503 43085.59395 53666.76181 37795.89783 199549.7614 116707.0073 11001.99428 21827.31011 17031.91761 0 7651.132629 12654.65325 6841.736866 19984.62547 0 7793.477579 50880.38214 11015.5027 11434.99181 25115.56583 55402.96206 20320.97667 43561.04326 16782.12715 Phosphocreatine 3701564.769 5965744.169 11169665.96 35416842.67 9508798.131 7485234.193 6083353.013 9218838.068 7779731.682 5694431.345 5281235.563 9091815.44 9167590.911 4887416.639 4794534.819 31428610.43 29484287.85 26280648.9 15635165.69 13291818.35 25253236.63 36959545.56 27620949.53 24938549.88 22542862.64 11116800.62 Phosphoenolpyruvate 949963.652 1127100.986 1965589.991 2992013.395 1562683.528 1695832.742 2214949.562 2102980.612 1928496.779 854932.8669 1672587.448 754427.0867 1110212.132 769356.6509 1144554.092 2321559.885 2097595.569 2163191.557 3200980.563 2513095.981 2233754.305 3210416.339 2051262.159 2012869.731 2597447.057 1263484.485 Phosphorylcholine 13948395.68 10021528.79 15540385.65 14726831.02 10305430.25 12329099.91 11521147.05 15690471.64 16263782.19 15027525.76 17957600.79 20372579.94 18678117.8 19473742.56 15815998.12 12115033.99 13800940.66 12348748.61 12464950.92 9246368.257 12250708.65 12975013.86 13328659.81 12870405.28 12055575.91 8930237.654 Phosphoserine 58523.9232 45301.09884 162011.803 209538.5883 109484.7959 103984.351 70704.03626 153544.8167 145989.0269 144850.6084 102409.4269 118343.3607 114560.0357 108792.0197 70893.90946 326846.697 353584.97 181554.8075 156838.2531 72971.04416 233630.057 237224.4286 155662.5154 175764.7456 231432.9046 141342.7543 Pipecolate 89516521.43 69302899.47 115528782.4 114094207.8 106824709.6 102217678.2 117824602.1 143759107.4 121042898.6 80649302.75 81766471.41 66039846.14 73117259.19 73965649.19 73638381.62 105841032.6 120167865.3 104913260.8 103702418.9 106251844.7 98762732.99 140072832.5 65874358.64 66647318.67 122858061.4 91044693.04 Proline 1304537447 1074523216 1099886076 1033256876 833430055.2 963140422.2 1372526937 1260144035 773328613.4 852954134.2 1006590579 787558834.7 941272578.6 890483823.1 847166782.3 1043621679 1189859047 1301095165 1406256731 1173341722 1124269971 958165072.5 776624255.2 741814443.8 901641800 780967970 Propionyl-carnitine 66307357.59 72019745.08 77470567.44 93623061.15 36462178.68 57053686.7 68600334.96 70225925.26 47856433.12 42182834.59 42163014.7 33696061.03 40833923.42 32436811.94 31037610.73 104017777.4 98465457.42 104803229.9 95130014.94 77343980.99 64956831.92 68431700.57 58981738.22 59881913.73 66682779.16 40333954.6 Pterin 73422.33543 43306.98868 35625.07461 28470.08483 235689.7016 86900.55986 265328.4315 0 171860.0097 143548.1569 0 102112.3956 228398.4302 126675.7774 0 0 0 0 107643.2486 154933.8944 33907.47656 251968.3645 112683.5431 27401.53914 0 181121.6593 Pyridoxal 567530.4736 413962.3872 589845.7937 1168075.13 1235768.287 398167.3858 680263.793 1097411.436 690234.5127 574389.0281 694257.8143 1059207.578 799434.9597 670779.9706 675740.3934 757748.599 658646.1634 358898.8603 1012900.78 953957.8587 773256.0308 1280081.267 534345.3847 675410.9038 746996.8293 687704.4416 Pyrophosphomevalonate 76680.19846 105701.5851 78660.8413 141715.3078 32535.20167 76670.38494 32589.4063 51281.03602 55602.94616 155885.2023 173464.0482 160793.8272 66316.33586 52122.97135 140170.4905 145044.0708 64899.21712 61193.11117 107957.6739 46274.13392 95258.87333 119362.8901 123760.2945 173237.3403 107842.2289 157968.4377 Pyruvate 19047050.17 16854718.45 22640072.2 12451075.63 17457229.79 15076798.44 20939125.99 16254161.67 21621854.33 16313671 22046510.97 14749144.76 16367825.19 15829531.58 20829129.22 14449843.15 9206833.588 12492926.52 16313727.36 15661188.98 7049722.083 9041875.625 13496231.57 10929104.38 17049875.99 11104255.44 Pyruvate - IS 6176339.82 6344063.628 6297556.003 6430254.004 6599925.055 6585096.794 6130151.253 6338483.335 6539664.222 6889750.922 6676364.229 6426006.449 6305802 6751166.883 6464510.454 6460413.695 6028316.15 6015624.994 6523195.264 5979990.919 6127592.679 6587616.605 6602924.068 6701723.132 6091435.118 6411564.013 Quinolinate 443962.954 338665.5418 536031.7077 469464.1781 198637.6849 401251.1584 519576.7685 512205.0654 477548.5687 685195.7729 322363.044 448219.6719 229036.6128 225264.3599 480716.7247 371095.9231 326535.8422 320731.1928 622143.9153 612531.8086 338522.6044 834155.1945 402692.1225 384512.0471 714145.2043 212794.6709 Quinoline 202050.1961 204956.7025 128348.423 310096.3739 180825.1529 108953.2219 418956.1451 320107.6861 74025.35713 193147.4878 192280.3707 439018.9697 73705.19039 133164.57 189230.8826 537413.3159 310532.4242 497879.917 847441.6957 658854.1586 497521.7242 657147.8585 195860.7256 264153.5297 502759.8454 340474.3342 Raffinose 3909615.136 3421997.69 4068923.838 3781718.253 1581764.798 2723782.656 3055595.991 2587695.294 3420869.279 7051272.187 3960583.16 4703827.797 8103587.349 5287899.216 3490959.013 5118209.52 4873895.527 2044057.003 2964619.293 4023429.812 4012807.07 3842236.451 2040508.672 2067296.223 3735424.53 3534512.157 Retinoate 337403.5187 1356727.801 39185.55658 208386.9461 153286.3644 258714.7144 821314.4335 201849.2385 385268.5007 88565.76776 174413.9534 544642.846 192481.334 123403.8115 335997.2876 344117.6906 176541.5451 138812.8557 168499.317 399895.4802 134195.1652 1171906.15 237169.7493 596461.5993 506555.2298 349906.0155 Rhamnose 19930388 20473836.5 27419658.24 23039535.21 19120438.68 21311436.69 30701933.05 26409533.34 23933461.29 22965703.43 24553898.78 19867442.86 23208892.08 21324711.85 19249320.36 22058049.38 22549192.98 24876744.92 21561224.14 20278439.43 20655775.89 22885089.62 18482804.95 16450149.66 20187686.88 17621005.86 Riboflavin 630498.334 541216.5284 726607.6408 658470.1754 830137.0258 551510.499 601313.5336 1072134.505 1051033.308 638727.4976 722282.041 817610.119 1353139.62 778051.8533 1061857.994 785872.173 1040462.831 1035491.292 1216777.368 1039529.409 1072995.476 1331276.524 893411.4593 943388.5254 1364688.551 858041.8327 Ribose 1032580.601 829162.1479 1298699.825 1989005.537 949687.0741 1137064.769 1454115.466 1637686.832 858492.5394 863979.975 1073880.117 1069454.308 1027512.335 738899.6934 816534.1358 891019.3357 1523987.651 1049547.112 1505463.863 1401108.89 1170110.831 1353620.723 1014634.979 942275.5434 1441555.039 828668.4486 Ricinoleic acid 1746293.391 1384547.201 1903000.857 2172125.011 1736132.377 1819549.111 1582691.776 2476537.907 2445052.81 1799249.295 3038159.893 1450428.376 1708637.921 1403611.201 1071107.785 2954466.736 2392483.67 1060153.935 1240552.173 1681775.599 1993635.077 1026131.162 2433044.562 1961391.207 2298036.376 1485699.341 S-Adenosylhomocysteine 5793538.569 5028301.687 5011603.382 3976427.955 2954797.831 3951774.93 5208887.463 4026988.194 4116051.246 3569859.916 5230957.85 4827934.963 5014063.637 4997717.051 4249464.228 4471831.593 3920381.491 4131460.773 5024431.534 4594588.241 4311460.132 3670300.631 3404253.328 3621869.242 4162805.961 3901103.654 S-Adenosylmethionine 8096478.828 5432240.901 7664854.726 9421613.33 7077918.499 5786322.528 8072354.087 10233049.13 8016101.322 6009821.798 7209989.184 6097622.687 6757781.41 6878179.753 7136254.6 8789929.292 8938291.661 10637513.78 7240257.223 7594972.601 8500506.554 9737132.378 8118562.409 6481979.006 8183733.283 4877581.765 Sarcosine 28231483.5 25460262.26 29514916.21 22566499.19 17338991.37 24228171.77 29935413.8 24592034.12 22427875.04 28593638.21 29104755.5 24208020.51 34267829.14 22915149.36 21312827.42 30017361.52 26772237.56 23876189.47 29464600.69 21041484.09 21701700.56 31395949.72 22042753.42 23920764.39 28396546.32 18352871.38 Sedoheptulose-7-phosphate (D) 1032614.714 707884.0846 902456.135 542072.2352 981295.4292 877715.4433 1117675.754 1143278.383 694987.6099 1008879.241 669933.7789 704610.9016 849287.1997 625957.6528 781086.4762 809384.8787 1106964.971 724632.1654 821933.9645 675331.0198 2050838.843 684786.2357 581368.0278 562685.1901 553398.1228 787788.6625 Serine 60509156 46020717.39 60910745.82 48424583.98 44938390.45 58067422.03 65895472.69 60657134.28 53454845.26 47795141.43 47345525.99 43639228.78 45519362.12 47671846.84 50842994.17 60155600.11 60167232.66 61851871.2 70121595.68 56717133 54195666.59 51922437.75 42217466.7 39485555.46 52832699.15 50396427.57 Serotonin 3304381.653 2547441.975 3966142.726 1473951.887 1110930.784 1375222.094 1342349.605 2200911.062 1055912.312 3578140.24 1584831.432 2442336.898 197520.824 1317425.038 1146209.955 403590.7692 368982.708 727465.9678 357650.1697 755626.8484 690127.0613 567888.5223 550773.0139 415880.8086 260516.4603 591757.3706 Sn-Glycero-3-Phosphocholine 2032541035 2366728009 2190697034 2258269954 1553360722 1961878126 2374435181 2311497905 3021719122 2539691982 3772935718 2831045775 3123574314 3130549302 3037009357 2252630903 2681065849 2659265018 2617198267 2077280651 2591597666 2398632668 2556925309 2614564235 2368506663 1506735493 Sphinganine 552173.1878 769751.8452 498410.9891 778832.2744 574864.7896 631672.6552 683426.781 692574.729 780965.446 965627.1639 865118.873 893366.2754 851540.5158 1126764.782 591511.1363 779871.5698 790624.564 626612.7246 2330127.853 707697.5468 999111.0071 1909135.227 1452545.756 1388943.733 1356891.199 1202390.815 Sphingomyelin 671750.808 1298908.267 693832.0052 1114970.494 2142997.545 1175889.575 1149657.922 571505.2625 672965.5938 1713584.53 1066944.779 708745.417 807512.017 366789.7545 1242054.824 1327873.312 825620.7965 1111238.872 2689390.675 491711.7657 1209709.306 2458583.329 1123357.819 1095260.307 542956.9829 1846319.334 Stachydrine (nv) 164263856.1 152546752.8 181408798.3 193189396.7 124567925.8 153409388 225474722.3 197291972.5 160964741.6 153707921.9 167124194.7 131316308.5 163850622.1 142409310.1 119478082.2 95259573.18 123829869.7 135461949.9 137594886.5 142110571.9 105826219.6 141080856.1 101453174.3 87774566.06 118295223.1 83204817.68 Stachyose 1750344.827 1777461.908 2037760.852 1636215.159 804575.1426 1151781.277 1480618.622 1215585.306 2163673.014 3892580.068 2520752.114 2779010.924 5187692.299 3619694.869 2106357.944 3031511.1 2821118.834 1298859.221 1698135.56 2354875.339 1434766.84 2081578.32 1160527.803 1146900.077 1933831.953 2080766.449 Stearic acid 132687264.9 92376546.79 101459431.2 103102605.7 74872492.61 77784498.09 92344441.37 216698490.8 91040927.51 155673677.4 121237155.2 81813158.34 91995796.09 108003620.3 88376628.99 88021938.67 194472324.5 109323872.1 94775214.37 140646196.3 165351540.6 89783925.72 202130471.5 80877441.34 222238961.8 164833665 Succinate 37246787.29 31233047.88 38616056.83 41302942.96 31263436.37 34107281.08 45756331.79 58495371.33 40678122.39 29200495.87 54149185.66 26176022.06 30751067.82 33653814.74 37758846.23 32409593.02 44890736.51 45272651.84 38906188.56 39372452.2 49932705.41 38825202.38 39355105.28 41398956.29 36367207.7 26359603.19 Succinyladenosine 2924598.85 2136244.418 2761961.015 1807317.013 1717973.03 1812169.055 3089645.138 2569762.658 1205723.456 1235231.717 2606009.356 1314138.301 1156769.938 1283432.035 1159939.883 1412795.069 2066598.641 2285442.003 2757299.315 2668616.804 2015440.573 2151667.568 2059199.264 2240747.287 1909591.849 1459360.182 Succinylaminoimidazole carboxamide riboside (SAICAr) 353659.9047 309578.0495 379135.5412 287170.2817 194926.7599 220046.722 351003.7471 302421.6545 357984.7947 268594.6127 668620.9309 298580.7655 319330.444 312214.209 231598.1215 186985.2753 318052.9281 301917.2667 371531.3305 319520.6185 245707.1458 288126.6949 442416.5728 305713.5725 284700.0484 182512.1406 Succinylcysteine 1012308.506 750573.3462 1071878.001 1262043.471 882788.2345 895049.2308 1339118.721 1187685.662 691727.2918 634219.717 1006220.988 1055862.225 789499.5752 647211.0064 545591.389 875393.0278 1133338.543 1003855.732 1561912.157 1237401.598 872431.2204 1451571.845 986926.3886 813027.9239 1167565.981 808345.0338 Sucrose 4533890.679 4317207.082 5870748.511 11033815.27 2360069.576 4574336.981 3739289.523 4023314.002 3221936.419 9896467.557 4090646.697 4375336.923 6537989.192 4828516.371 3079562.872 5845564.469 6194859.712 2835045.39 3543299.977 4798667.291 12574781.61 5082827.687 3379489.913 1256105.401 3601470.743 3206137.303 Tartrate 89429.73163 52919.55098 82839.07525 325591.4205 51610.72167 73960.30504 145908.5314 150923.49 54332.21649 44461.30668 115360.8289 49865.37644 28796.5728 61276.72821 53107.8893 72120.51888 84376.20951 122987.8218 250536.8348 100961.2885 103065.3686 148818.1682 105112.7495 84267.49993 176772.1387 63743.94095 Taurine 996001641.7 897718174.8 1150875394 1221894905 812310687 1036964271 1053678486 1172773776 990910707.2 1078696212 1278069057 1137246308 1164354609 1105044631 1141160218 1048320420 1147368506 1181308954 1186627790 934483127.4 1076697707 1102597412 1107191250 1061175538 1100471968 803279397.2 Thiamine Monophosphate 662401.4464 253171.8701 437875.1912 803043.6084 504675.2431 450017.6029 638711.0506 614824.4559 556501.2425 283114.1708 410203.592 717383.0942 661468.4471 699744.0594 507091.1723 439305.706 571160.6447 380695.002 628883.222 629864.5542 238689.1044 287276.9902 687764.7489 602344.1422 659226.9923 612365.1947 Thiamine Pyrophosphate 424214.4218 430061.626 727679.3547 939631.3403 381850.7222 480246.2828 522912.0823 773293.5009 524163.6382 288231.2975 717350.7044 393649.6716 496768.8376 420429.455 539505.9103 759122.3138 751858.4528 770139.3637 982095.1888 487545.5526 563749.3803 962866.817 854157.6298 561671.9962 772534.6489 500923.8385 Threitol 689719.1452 557385.4899 740361.9154 827527.2383 591665.2434 540468.5873 1027030.153 1031119.075 582365.6789 524900.1343 605800.7117 628580.8508 681123.3211 555533.2483 452021.5486 583375.1902 838015.4512 843212.536 1036716.926 1024116.018 731730.4353 891032.079 530540.2301 455534.6249 689610.7929 455117.1249 Threonine 538089568.5 447426180.2 528432376.7 461480950.3 393920806.4 458541125.2 577581043.6 470720766.7 508489895.4 408371385.2 475032382.8 371797999.5 453663122.8 412023598.7 401691916.3 562785118.5 541610936.5 588121946.7 669961150.1 506571903.2 504282678.4 567740108 396289280.5 382990906.1 520120808.8 461543197.5 Thymidine 236806.6026 223368.5663 218457.0878 255286.1155 489614.1017 300397.0693 395849.8523 1025762.528 576857.2459 301172.9631 157004.1825 224200.0847 312636.216 420356.39 319892.8956 300942.6328 651379.2675 455450.971 738309.1446 658596.0787 566478.589 590124.4906 485298.7762 466324.455 503492.8936 259610.6316 Thymidine-Monophosphate (TMP) 467896.1761 284443.3196 495210.2231 135260.2916 392432.9274 464356.8862 450056.1898 567449.4814 685823.5951 821700.5726 497249.1081 750590.3758 812677.2616 1091079.68 604315.3819 276768.8936 405746.2036 255869.2738 404830.925 274273.1209 192920.7152 161270.1104 176797.6878 107132.7632 336705.1007 402959.2108 Thymine 628648.2925 535128.8721 676368.2327 539844.0401 800005.0599 580592.6653 684889.5582 1401235.726 1007241.119 631489.1007 552793.0342 433000.0328 454925.2324 769357.3538 756756.5236 458708.3687 832166.7422 816930.4435 1207586.883 797954.9019 992914.3989 747221.5297 760440.0944 712662.2435 816001.5101 468522.2089 Trans-4-Hydroxy-L-Proline 301284526 229088000.5 360637365.3 307556388 233545449.6 327808449.6 404761822.8 356395734.3 227903800.8 179956338.9 194769907.9 143010360.5 173857926.7 185750794.3 206201665 300240394.2 341034256.4 368846276.6 362173207.9 323959105 353932715.6 305623702.1 208150184.2 223721181.4 252770330.6 229460822.6 Trehalose 4335112.682 4017167.133 5772550.863 10912236.52 1974834.569 4079163.352 3684492.943 3970951.738 3212268.186 9778217.415 3854468.32 4327235.735 6399833.903 4807675.023 3040046.809 5743717.093 6085988.584 2801224.19 3291074.144 4734630.695 12330123.3 5013594.404 2912742.9 2218022.708 3313586.733 3067420.98 Tridecanoic acid 345391.0051 2671099.389 968214.1937 768107.5902 2294525.612 299580.2334 408466.0477 1479806.335 1965412.247 2338005.354 1029669.836 323172.5719 274483.3931 813762.9675 184362.8846 361547.5849 349751.1567 464828.9708 68692.81082 480696.6015 1614427.261 298983.8834 292378.8373 3625497.234 143911.3747 297404.0547 Trigonelline 112180361.6 102499170.9 128730171.5 147000025 103576989.9 96788054.24 166821695.8 155645262.3 116744200.3 113626894.5 133836746.1 109892341.3 119000971.9 135105629.9 106225508.2 119517968.7 124970641.2 124878623.5 154072985.1 131201238.5 122732588.8 173599831 110120506.3 98811958.32 146433460.7 93614869.41 Trimethyllysine 25276067.16 19258172.35 27141604.97 25866542.1 23836120.98 21753693.84 36691283.43 29690089.68 23590137.7 21896454.71 17222993.75 26503803.92 37148678.99 22242881.27 14745785.09 21296629.99 25635857.05 26904682.35 31401620.15 39822807.42 21604434.48 28235286.01 21289422.4 16728431.52 21118648.05 22203581.79 Tryptophan 419805908.8 302204394.9 397276092.2 303171744 378414880.9 362789939.3 437483733.5 451083602.6 401230590.3 355686926.4 374372176.4 253643597.3 305221299.7 415152701.7 388783701.6 574027675.1 633444749.7 698168931.5 585413267.5 572750836.2 620611017.1 571536484.2 455366258.8 442166455.6 520364690.6 407246384.3 Tyrosine 862043373.3 657176163.1 810895170.4 743192266.1 639461861.6 783975382.7 936949438.4 782465966.3 797381939 659357761.5 681097945.7 603451684.7 695015674.8 555475648 675232854.2 979455063.3 818491356.7 853156356 788726596.3 723043243.4 815992105.3 885489429.7 552551569.2 526482602.5 826711742 683789610.9 Undecanoic acid 56634.94482 1602486.859 426874.609 271237.2459 843352.0293 198885.7571 198775.4461 693777.8527 929975.5996 1090986.792 675333.8055 181421.1293 184912.4993 507603.8948 117934.5959 274082.8881 410511.4741 142126.755 142606.7425 269228.629 241730.5006 197336.2266 244706.5881 1157679.668 161319.5159 195867.6085 Uracil 7597504.827 5349933.135 6321475.148 3874352.596 5094944.332 6565348.57 7256061.711 8273220.583 8251359.479 6970337.733 8256289.752 4605977.117 3797392.985 5914663.909 7590877.178 3661157.241 5299929.485 4643742.776 6091737.234 4904661.684 4726072.801 4123422.927 4790964.324 4219492.623 4443786.145 4075874.958 Urate 14402937.6 11208527.19 8707941.842 5710993.672 12068590.4 7908884.79 14031142.63 25611450.08 5830811.148 11805564.49 11624836.65 7839450.79 6555483.464 6288444.482 16278199.36 6706336.728 11116069.03 16446131.06 17064005.23 15636558.34 11285429.61 7265165.789 9996350.894 8883714.564 6318381.807 6332692.339 Ureidopropionate 247645956.6 146502323.3 140170565.9 164671188.7 98076069.28 234038953.5 200840006.7 294066514.5 85503050.02 148365423.9 157520499.9 122612243.2 134095419 118769617.1 91295975.48 100895587.8 165999577.1 195593297.8 438089940.9 343246600.3 136253293 121913681.4 186735684.5 178238401.5 115056452.9 66259206.88 Uridine 18187582.25 15802854.01 22055735.99 15811154.01 14275064.56 20133982.61 18902944.98 19918766.12 16870600.48 15882619.15 12943041.91 14719725.14 14678639.52 16761975.58 14064391.73 16432803.1 15288387.98 13265394.66 17588885.03 13605477.85 11702920.46 15753994.18 10700963 9047516.811 16976698.02 12834492.13 Uridine 5'-Diphosphate (UDP) 2125334.88 1786392.193 2975890.452 5403559.295 2798997.458 2609203.777 2689430.902 3262794.743 3533263.414 2832485.349 3750793.377 2651816.78 2447770.939 2459229.733 2434761.166 3387080.089 2906748.9 3935884.844 3584790.598 2449974.986 4159024.283 4300802.702 4087630.699 3257323.442 2558398.715 1829831.419 Uridine Diphosphate Glucose 6121995.809 5153333.333 7160182.961 10276220.79 5353252.211 6972651.134 7305341.104 6943539.064 10474649.25 7675493.84 10383566.78 10530414.25 11231590.18 10702182.31 8857431.433 9747035.436 8302012.654 7285982.317 8087957.784 6503291.6 6962494.169 7944671.367 6873357.348 6595001.446 8228329.409 6374047.846 Uridine Diphosphate Glucuronic Acid 1418831.068 1190988.475 1928948.452 2815962.92 1232370.27 2002384.657 1443321.163 1546378.827 2190165.317 2104473.28 2279513.39 2359394.888 2543895.597 2575962.866 1701861.072 2219138.858 2003395.628 1879869.763 2801553.17 1498526.545 2246437.735 1648738.98 2097348.448 2178287.861 1951379.342 1797713.269 Uridine Diphosphategalactose 6121995.809 5153333.333 7160182.961 10276220.79 5353252.211 6972651.134 7305341.104 6943539.064 10474649.25 7675493.84 10383566.78 10530414.25 11231590.18 10702182.31 8857431.433 9747035.436 8302012.654 7285982.317 8087957.784 6503291.6 6962494.169 7944671.367 6873357.348 6595001.446 8228329.409 6374047.846 Uridine Diphosphate-N-Acetylgalactosamine 18363410.63 14168468.83 19952035.31 22878030.46 16461065.11 18280574.03 18387405.1 22681137.46 20893132.24 17665279.66 22945372.47 20208205.12 21514627.7 23502365.46 19022614.1 17648370.29 19449269 20369884.45 20231441.48 15909537.39 19032306.92 18231368.08 17598111.5 17333926.47 18593946.47 15066002.28 Uridine Diphosphate-N-Acetylglucosamine 18363410.63 14168468.83 19952035.31 22878030.46 16461065.11 18280574.03 18387405.1 22681137.46 20893132.24 17665279.66 22945372.47 20208205.12 21514627.7 23502365.46 19022614.1 17648370.29 19449269 20369884.45 20231441.48 15909537.39 19032306.92 18231368.08 17598111.5 17333926.47 18593946.47 15066002.28 Uridine Monophosphate (UMP) 26410448.24 21133664.86 30516571.32 25682358.13 17365494.48 26083047.44 27410529.45 29339964.97 37387762.07 31285792.89 41158388.01 42160991.75 44259083.57 47629895.52 38554621.28 27541378.03 32905590.05 25011057.97 24519798.71 24142135.83 17189020.19 20857331.87 18792813.05 20602569.81 27738338.49 22620053.02 Uridine-5-triphosphate (UTP) 478660.5247 334113.918 663189.3282 3053938.109 814277.8663 727626.9696 613183.806 541575.0213 967011.9042 1379556.631 1647610.166 1042777.251 1166682.7 578556.2061 533484.6894 1022662.547 604390.84 1308870.806 2216294.144 589243.4375 1998351.948 1665835.588 2739759.272 2106852.301 1157801.132 746834.684 Urocanate 58498186.54 47849220.81 55218448.47 85672987.68 82582188.61 54678307.85 98775048.74 87263743.58 46442311.46 34316487.95 43627098.24 45496618.99 34030013.81 36113975.22 27799213.37 88165118.28 78315454.05 71886491.36 145165608.1 108716003.2 95768384.05 102252390.1 57589319.2 52844957.85 95877388.27 78182231.17 Valine 673056213.6 495891055.6 635551468.6 409803963.3 373334061.3 584621292.6 665238288.6 507491045.8 592990098.6 515955517.8 614603551.9 333586431.2 385168089.1 328594146.8 398974768 552748963 532990611 589758203.6 532465970.5 507018552 538382701.6 511722614.6 353482755.1 353055312.2 466327837.8 390740811.1 Xanthosine 1298141.361 1164775.153 1154900.274 1834224.043 988524.8265 1170219.958 1600153.25 1480752.63 784361.1044 733131.0045 2164691.192 1317014.368 808168.8522 796408.9018 563959.3628 1693816.515 2075056.843 1486088.326 3397140.335 1675266.396 1726060.4 2392703.463 1425973.164 1528014.936 2299663.871 1221797.883 Xanthosine-Monophosphate 189959.532 175532.5917 191699.1807 45575.91096 110035.0804 144008.1448 91777.22865 196231.1066 8729.221406 6300.143748 21713.47004 21161.70482 10989.76847 19159.38912 0 46203.20393 29862.15405 19156.67527 66585.41555 52337.52472 121370.8253 45130.75655 145567.4798 111998.2682 93670.22141 35634.71713 Xanthurenate 303847.8078 82643.04241 151624.0145 177729.3066 315874.3178 182097.8188 476733.9801 559749.846 162824.2912 388575.4406 711100.0765 6949.473947 224026.5213 406446.549 249073.3127 276820.2124 885318.126 664233.9329 1379198.46 608070.5405 500961.9341 1182994.372 1348366.222 1149924.297 1021423.261 692964.9407 Ximeninic Acid 1832082.166 1539029.417 2253785.778 691934.9865 765683.6908 1299275.363 1673504.003 1341200.605 1606048.859 7878222.846 1688054.504 852712.2399 878708.5087 1543995.328 1135492.542 1155525.663 1922335.023 1068247.68 1489735.685 1359509.983 1963004.191 526972.362 1268771.994 999070.0417 1327253.452 1031774.679 Xylitol/Ribitol/Arabitol 4990931.911 3784286.865 4864503.895 5904796.788 3770841.12 4113789.778 5819011.68 5922883.74 3736973.703 3307008.639 4437384.05 4033604.98 4670648.923 3980139.234 3297909.638 4705348.817 6718010.763 6657235.802 7040761.563 6756115.758 5597691.625 5902852.248 4528991.204 4155846.023 5144201.614 3901559.771 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Match name HMDB PubChem ChEBI KEGG METLIN SMILES 10-HAD NA 10-HAD NA NA NA NA NA NA 10-Hydroxydecanoic acid 10-Hydroxydecanoic acid 10-Hydroxydecanoic acid NA 74300 NA NA NA NA 14-Methylhexadecanoic acid (S)-14-Methylhexadecanoic acid (S)-14-Methylhexadecanoic acid HMDB0031067 22207 84874 NA NA CCC(C)CCCCCCCCCCCCC(=O)O 1-Aminocyclopropanecarboxylate 1-Aminocyclopropanecarboxylic acid 1-Aminocyclopropanecarboxylic acid HMDB0036458 535 18053 C01234 NA NC1(CC1)C(O)=O 1-Methyladenosine 1-Methyladenosine 1-Methyladenosine HMDB0003331 27476 16020 C02494 6888 CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N 2,4-Dihydroxypteridine NA 2,4-Dihydroxypteridine NA NA NA NA NA NA 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine NA 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine NA NA NA NA NA NA 2-Aminoadipate Aminoadipic acid Aminoadipic acid HMDB0000510 469 37024 C00956 5496 NC(CCCC(=O)O)C(=O)O 2-Aminoisobutyrate 2-Aminoisobutyric acid 2-Aminoisobutyric acid HMDB0001906 6119 27971 C03665 37 CC(C)(N)C(=O)O 2-Aminophenol 2-Aminophenol 2-Aminophenol METPA0236 NA 18112 C01987 NA NA 2'-Deoxy-5'-Adenosine Monophosphate (dAMP) Deoxyadenosine monophosphate Deoxyadenosine monophosphate HMDB0000905 12599 17713 C00360 3461 NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 2-hydroxy glutarate 2-Hydroxyglutarate 2-Hydroxyglutarate HMDB0059655 43 17084 C02630 NA OC(CCC(O)=O)C(O)=O 2-Hydroxyhexadecanoic acid (R)-2-Hydroxyhexadecanoic acid (R)-2-Hydroxyhexadecanoic acid HMDB0031057 92836 65101 NA NA CCCCCCCCCCCCCCC(C(=O)O)O 2-Methylmaleate Citraconic acid Citraconic acid HMDB0000634 643798 17626 C02226 5607 C/C(=C/C(=O)O)/C(=O)O 2-Phosphoglycerate 2-Phosphoglyceric acid 2-Phosphoglyceric acid HMDB0000362 59 24344 NA 5351 OCC(OP(O)(O)=O)C(O)=O 3-(2-Hydroxyphenyl)Propanoate 3-(2-Hydroxyphenyl)propanoic acid 3-(2-Hydroxyphenyl)propanoic acid HMDB0033752 873 16104 C01198 NA OC(=O)CCC1=CC=CC=C1O 3-(4-Hydroxyphenyl)Pyruvate 4-Hydroxyphenylpyruvic acid 4-Hydroxyphenylpyruvic acid HMDB0000707 979 15999 C01179 5675 OC(=O)C(=O)CC1=CC=C(O)C=C1 3-Hydroxybutanoate D(-)-beta-hydroxy butyric acid D(-)-beta-hydroxy butyric acid HMDB0000357 441 20067 C01089 125 CC(O)CC(=O)O 3-hydroxybutyric acid 3-Hydroxybutyric acid 3-Hydroxybutyric acid HMDB0000357 441 20067 C01089 125 CC(O)CC(O)=O 3-Hydroxymethylglutarate 3-Hydroxymethylglutaric acid 3-Hydroxymethylglutaric acid HMDB0000355 1662 16831 C03761 5344 CC(CC(=O)O)(CC(=O)O)O 3-Hydroxyoctanoic acid 3-Hydroxyoctanoic acid 3-Hydroxyoctanoic acid HMDB0001954 26613 37098 NA NA CCCCCC(O)CC(=O)O 3-Methyl-L-Histidine 3-Methylhistidine 3-Methylhistidine HMDB0000479 64969 27596 C01152 5466 [H][C@](N)(CC1=CN=CN1C)C(O)=O 4-Acetamidobutanoate 4-Acetamidobutanoic acid 4-Acetamidobutanoic acid HMDB0003681 18189 17645 C02946 NA CC(=O)NCCCC(O)=O 4-Guanidinobutanoate 4-Guanidinobutanoic acid 4-Guanidinobutanoic acid HMDB0003464 500 15728 C01035 6938 NC(=N)NCCCC(O)=O 4-Imidazoleacetate Imidazoleacetic acid Imidazoleacetic acid HMDB0002024 96215 16974 C02835 6445 OC(=O)CC1=CN=CN1 4-Pyridoxate 4-Pyridoxic acid 4-Pyridoxic acid HMDB0000017 6723 17405 C00847 239 CC1=NC=C(CO)C(C(O)=O)=C1O 5(Z),8(Z),11(Z)-Eicosatrienoic Acid 5,8,11-Eicosatrienoic acid 5,8,11-Eicosatrienoic acid HMDB0010378 5312531 72865 NA NA CCCCCCCCC=C/CC=C/CC=C/CCCC(O)=O 5-Aminolevulinate 5-Aminolevulinic acid 5-Aminolevulinic acid HMDB0001149 137 17549 C00430 6037 NCC(=O)CCC(=O)O 5-Hydroxylysine procollagen 5-hydroxy-L-lysine procollagen 5-hydroxy-L-lysine HMDB0000450 4433 18040 C16741 5439 NC[C@H](O)CC[C@H](N)C(O)=O 5-Methylcytosine 5-Methylcytosine 5-Methylcytosine HMDB0002894 65040 27551 C02376 3247 CC1=C(N)NC(=O)N=C1 6-Carboxyhexanoate Pimelic acid Pimelic acid HMDB0000857 385 30531 C02656 3280 C(CCC(=O)O)CCC(=O)O 9-Decenoic acid 9-Decenoic acid 9-Decenoic acid HMDB0031003 61743 32381 NA NA C=CCCCCCCCC(=O)O Acetyl CoA Acetyl-CoA Acetyl-CoA HMDB0001206 444493 15351 C00024 6082 CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O Acetylcholine Acetylcholine chloride Acetylcholine chloride HMDB0000895 6060 15355 C01996 57 CC(=O)OCC[N+](C)(C)C Acetyl-L-carnitine L-Acetylcarnitine L-Acetylcarnitine HMDB0000201 7045767 NA C02571 5213 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Adenine Adenine Adenine HMDB0000034 190 16708 C00147 85 NC1=C2NC=NC2=NC=N1 Adenosine Adenosine Adenosine HMDB0000050 60961 16335 C00212 86 NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 Adenosine 3',5'-cyclic monophosphate (cAMP) Cyclic AMP Cyclic AMP HMDB0000058 6076 17489 C00575 5120 [H][C@@]12COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)N1C=NC2=C1N=CN=C2N Adenosine 5'-Diphosphate (ADP) ADP ADP HMDB0001341 6022 16761 C00008 6175 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Adenosine 5'-triphosphate (ATP) Adenosine triphosphate Adenosine triphosphate HMDB0000538 5957 15422 C00002 5523 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Adenosine Diphosphate Ribose ADP-ribose ADP-ribose HMDB0001178 33576 16960 C00301 6059 NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1 Adenosine-Monophosphate (AMP) Adenosine monophosphate Adenosine monophosphate HMDB0000045 6083 16027 C00020 5111 NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Adp-Glucose ADP-glucose ADP-glucose HMDB0006557 16500 15751 C00498 NA NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 AICAR AICAR AICAR HMDB0001517 65110 18406 C04677 6294 NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Alanine L-Alanine L-Alanine HMDB0000161 5950 16977 C00041 NA C[C@H](N)C(O)=O Allantoin Allantoin Allantoin HMDB0000462 204 15676 C01551 89 NC(=O)NC1NC(=O)NC1=O all-cis-4,7,10,13,16-Docosapentaenoic acid Docosapentaenoic acid Docosapentaenoic acid HMDB0006528 5497182 53488 C16513 194 CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCCC(=O)O Allothreonine L-Allothreonine L-Allothreonine HMDB0004041 99289 28718 C05519 7007 C[C@H](O)[C@H](N)C(O)=O Alpha-Hydroxyisobutyrate Alpha-Hydroxyisobutyric acid Alpha-Hydroxyisobutyric acid HMDB0000729 11671 50129 NA 3750 CC(C)(O)C(=O)O Aminoisobutanoate 2-Aminoisobutyric acid 2-Aminoisobutyric acid HMDB0001906 6119 27971 C03665 37 CC(C)(N)C(=O)O Arachidic acid Arachidic acid Arachidic acid HMDB0002212 10467 28822 C06425 401 CCCCCCCCCCCCCCCCCCCC(=O)O Arachidonic acid Arachidonic acid Arachidonic acid HMDB0001043 444899 15843 C00219 193 CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O Arginine L-Arginine L-Arginine HMDB0000517 6322 16467 C00062 5502 N[C@@H](CCCNC(N)=N)C(O)=O Argininosuccinate Argininosuccinic acid Argininosuccinic acid HMDB0000052 16950 15682 C03406 5115 N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O Asparagine L-Asparagine L-Asparagine HMDB0000168 6267 17196 C00152 14 N[C@@H](CC(N)=O)C(O)=O Aspartate L-Aspartic acid L-Aspartic acid HMDB0000191 5960 17053 C00049 5206 N[C@@H](CC(O)=O)C(O)=O Behenic acid Behenic acid Behenic acid HMDB0000944 8215 28941 C08281 260 CCCCCCCCCCCCCCCCCCCCCC(=O)O Beta-Alanine beta-Alanine beta-Alanine HMDB0000056 239 16958 C00099 5119 NCCC(O)=O Beta-Glycerophosphate Beta-Glycerophosphoric acid Beta-Glycerophosphoric acid HMDB0002520 2526 17270 C02979 6708 C(C(CO)OP(=O)(O)O)O beta-Hydroxyisovaleric acid 3-Hydroxyisovaleric acid 3-Hydroxyisovaleric acid HMDB0000754 69362 37084 C20827 5722 CC(C)(CC(=O)O)O Betaine Betaine Betaine HMDB0000043 247 17750 C00719 287 C[N+](C)(C)CC([O-])=O Beta-Nicotinamide Adenine Dinucleotide NADH NADH HMDB0000902 5893 44215 C00003 5858 NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O Butyryl-L-carnitine Butyrylcarnitine Butyrylcarnitine HMDB0002013 439829 NA C02862 6436 CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Carnitine L-Carnitine L-Carnitine HMDB0000062 10917 16347 C00318 52 C[N+](C)(C)C[C@H](O)CC([O-])=O Carnosine Carnosine Carnosine HMDB0000033 439224 15727 C00386 38 NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O CDP-Ethanolamine CDP-Ethanolamine CDP-Ethanolamine HMDB0001564 123727 16732 C00570 3538 NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O cis-11-Eicosenoic acid Eicosenoic acid Eicosenoic acid HMDB0002231 5282768 32425 C16526 6563 CCCCCCCC/C=CCCCCCCCCCC(=O)O Cis-4-Hydroxy-D-Proline cis-4-Hydroxy-D-proline cis-4-Hydroxy-D-proline HMDB0060460 440014 16231 C03440 NA O[C@H]1CN[C@H](C1)C(O)=O cis-5-Dodecenoic acid 5-Dodecenoic acid 5-Dodecenoic acid HMDB0000529 5312378 750110 NA 5514 CCCCCC/C=CCCCC(=O)O cis-7,10,13,16-Docosatetraenoic acid (7Z,10Z,13Z,16Z)-docosatetraenoate (7Z,10Z,13Z,16Z)-docosatetraenoate HMDB0062580 5497181 53487 C16527 6560 CCCCCC=C/CC=C/CC=C/CC=C/CCCCCC(O)=O cis-Aconitate cis-Aconitic acid cis-Aconitic acid HMDB0000072 643757 32805 C00417 5130 OC(=O)CC(=CC(O)=O)C(O)=O Citicoline Citicoline Citicoline HMDB0001413 13804 16436 C00307 6229 C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O Citrate Citric acid Citric acid HMDB0000094 311 30769 C00158 124 OC(=O)CC(O)(CC(O)=O)C(O)=O Citrulline Citrulline Citrulline HMDB0000904 9750 16349 C00327 16 N[C@@H](CCCNC(N)=O)C(O)=O Coenzyme A Coenzyme A Coenzyme A HMDB0001423 87642 15346 C00010 6235 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS Corticosterone Corticosterone Corticosterone HMDB0001547 5753 16827 C02140 6314 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O Creatine Creatine Creatine HMDB0000064 586 16919 C00300 7 CN(CC(O)=O)C(N)=N Creatinine Creatinine Creatinine HMDB0000562 588 16737 C00791 8 CN1CC(=O)NC1=N Cyclic AMP Cyclic AMP Cyclic AMP HMDB0000058 6076 17489 C00575 5120 [H][C@@]12COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)N1C=NC2=C1N=CN=C2N Cystathionine L-Cystathionine L-Cystathionine HMDB0000099 439258 17482 C02291 39 N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O Cystine L-Cystine L-Cystine HMDB0000192 67678 16283 C00491 5207 N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O Cytidine Cytidine Cytidine HMDB0000089 6253 17562 C00475 3376 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Cytidine 2',3'-Cyclic Phosphate Cytidine 2',3'-cyclic phosphate Cytidine 2',3'-cyclic phosphate HMDB0011691 53481030 17858 C00127 NA C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O Cytidine Diphosphate (CDP) CDP CDP HMDB0001546 6132 17239 C00112 6313 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Cytidine Monophosphate (CMP) Cytidine monophosphate Cytidine monophosphate HMDB0000095 6131 17361 C00055 5143 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Decanoic acid Capric acid Capric acid HMDB0000511 2969 30813 C01571 336 CCCCCCCCCC(=O)O Deoxycarnitine 4-Trimethylammoniobutanoic acid 4-Trimethylammoniobutanoic acid HMDB0001161 134 1941 C01181 6043 C[N+](C)(C)CCCC(=O)O Deoxycytidine Deoxycytidine Deoxycytidine HMDB0000014 13711 15698 C00881 3367 NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1 Deoxycytidine Monophosphate (dCMP) dCMP dCMP HMDB0001202 13945 15918 C00239 6078 NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 Deoxycytidine-Diphosphate (dCDP) dCDP dCDP HMDB0001245 150855 28846 C00705 6105 NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1 Deoxyguanosine Deoxyguanosine Deoxyguanosine HMDB0000085 187790 17172 C00330 3395 NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Deoxyguanosine diphosphate (dGDP) dGDP dGDP HMDB0000960 439220 28862 C00361 5906 NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1 Deoxyguanosine triphosphate (dGTP) dGTP dGTP HMDB0001440 65103 16497 C00286 6248 NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1 Deoxyguanosine-Monophosphate (dGMP) dGMP dGMP HMDB0001044 65059 16192 C00362 NA NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1 Deoxyribose Deoxyribose Deoxyribose HMDB0003224 22833604 28816 C01801 3258 OC[C@@H]1O[C@H](O)C[C@H]1O Deoxyuridine Deoxyuridine Deoxyuridine HMDB0000012 13712 16450 C00526 5086 OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O Dethiobiotin Dethiobiotin Dethiobiotin HMDB0003581 445027 42280 C01909 3351 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O D-Glucosamine 6-phosphate Glucosamine 6-phosphate Glucosamine 6-phosphate HMDB0001254 439217 15873 C00352 6111 N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O Dihydrobiopterin Dihydrobiopterin Dihydrobiopterin HMDB0000038 119055 43029 C02953 5106 C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O Dihydronicotinamide-adenine dinucleotide phosphate (NADPH) NA Dihydronicotinamide-adenine dinucleotide phosphate NA NA NA NA NA NA Dihydroorotate 4,5-Dihydroorotic acid 4,5-Dihydroorotic acid HMDB0000528 648 30865 C00337 5513 OC(=O)C1CC(=O)NC(=O)N1 Dihydroxyacetone Phosphate (DHAP) Dihydroxyacetone phosphate Dihydroxyacetone phosphate HMDB0001473 668 16108 C00111 6262 OCC(=O)COP(O)(O)=O Dimethylarginine Symmetric dimethylarginine Symmetric dimethylarginine HMDB0003334 169148 25682 NA 6891 CNC(NCCC[C@H](N)C(O)=O)=N/C Dimethylglycine Dimethylglycine Dimethylglycine HMDB0000092 673 17724 C01026 277 CN(C)CC(O)=O Docosahexaenoic Acid Docosahexaenoic acid Docosahexaenoic acid HMDB0002183 445580 28125 C06429 3457 CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCCC(=O)O Docosatrienoic Acid Docosatrienoic acid Docosatrienoic acid HMDB0002823 5312557 1038735 NA 195 CC/C=CC/C=CC/C=CCCCCCCCCCCCC(=O)O D-Ribose 5-Phosphate D-Ribose 5-phosphate D-Ribose 5-phosphate HMDB0001548 440101 52742 C00117 6315 O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O D-Sedoheptulose beta-D-sedoheptulose beta-D-sedoheptulose NA 441483 NA NA NA NA Eicosapentaenoate Eicosapentaenoic acid Eicosapentaenoic acid HMDB0001999 446284 28364 C06428 6423 CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)O Erucic acid Erucic acid Erucic acid HMDB0002068 5281116 28792 C08316 6470 CCCCCCCC/C=CCCCCCCCCCCCC(=O)O FAD (Flavin adenine dinucleotide) FAD FAD HMDB0001248 643975 16238 C00016 6106 CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 Fructose 6-Phosphate Fructose 6-phosphate Fructose 6-phosphate HMDB0000124 69507 15946 C00085 5159 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O Galactosamine Galactosamine Galactosamine NA 3034366 NA NA NA NA Galactose 1-Phosphate Galactose 1-phosphate Galactose 1-phosphate HMDB0000645 123912 17973 C00446 5618 OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O Galacturonate Galacturonic acid Galacturonic acid HMDB0002545 84740 47962 C08348 6713 O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O gamma-Glutamylcysteine gamma-Glutamylcysteine gamma-Glutamylcysteine HMDB0001049 123938 17515 C00669 5966 N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O Glucosamine Glucosamine Glucosamine HMDB0001514 439213 47977 C00329 266 N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O Glucose D-Glucose D-Glucose HMDB0000122 5793 4167 C00221 133 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O Glucose 6-Phosphate Glucose 6-phosphate Glucose 6-phosphate HMDB0001401 5958 4170 C00092 145 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O Glutamate L-Glutamic acid L-Glutamic acid HMDB0000148 33032 16015 C00025 5174 N[C@@H](CCC(O)=O)C(O)=O Glutamine L-Glutamine L-Glutamine HMDB0000641 5961 18050 C00064 5614 N[C@@H](CCC(N)=O)C(O)=O Glutarate Glutaric acid Glutaric acid HMDB0000661 743 17859 C00489 3254 OC(=O)CCCC(O)=O Glutarylcarnitine Glutarylcarnitine Glutarylcarnitine HMDB0013130 71317118 82952 NA NA C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCC(=O)O Glutathione disulfide (GSSG) Oxidized glutathione Oxidized glutathione HMDB0003337 65359 17858 C00127 6893 N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O Glutathione Reduced (GSH) NA Glutathione Reduced NA NA NA NA NA NA Glyceraldehyde 3-phosphate Glyceraldehyde 3-phosphate Glyceraldehyde 3-phosphate HMDB0001112 729 17138 C00118 3294 OC(COP(O)(O)=O)C=O Glycerol Glycerol Glycerol HMDB0000131 753 17754 C00116 105 OCC(O)CO Glycerol 3-Phosphate Glycerol 3-phosphate Glycerol 3-phosphate HMDB0000126 439162 15978 C00093 5161 C([C@H](COP(=O)(O)O)O)O Glycine Glycine Glycine HMDB0000123 750 15428 C00037 20 NCC(O)=O Glycolate Glycolate Glycolate NA 3460 17497 29805 C00160 NA NA Guadinoacetate Guanidoacetic acid Guanidoacetic acid HMDB0000128 763 16344 C00581 5163 NC(=N)NCC(O)=O Guanidinoacetate Guanidoacetic acid Guanidoacetic acid HMDB0000128 763 16344 C00581 5163 NC(=N)NCC(O)=O Guanidinosuccinate Guanidinosuccinic acid Guanidinosuccinic acid HMDB0003157 439918 17072 C03139 10 NC(=N)N[C@@H](CC(O)=O)C(O)=O Guanine Guanine Guanine HMDB0000132 764 16235 C00242 315 NC1=NC(=O)C2=C(N1)N=CN2 Guanosine Guanosine Guanosine HMDB0000133 6802 16750 C00387 87 NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Guanosine Diphosphate (GDP) Guanosine diphosphate Guanosine diphosphate HMDB0001201 8977 17552 C00035 6077 NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Guanosine Diphosphate Mannose Guanosine diphosphate mannose Guanosine diphosphate mannose HMDB0001163 18396 15820 C00096 6045 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 Guanosine Monophosphate (GMP) Guanosine monophosphate Guanosine monophosphate HMDB0001397 6804 17345 C00144 6216 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 Gulonolactone L-Gulonolactone L-Gulonolactone HMDB0003466 439373 17587 C01040 NA [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO Hippurate Hippuric acid Hippuric acid HMDB0000714 464 18089 C01586 1301 OC(=O)CNC(=O)C1=CC=CC=C1 Histamine Histamine Histamine HMDB0000870 774 18295 C00388 68 NCCC1=CNC=N1 Histidine L-Histidine L-Histidine HMDB0000177 6274 15971 C00135 21 N[C@@H](CC1=CN=CN1)C(O)=O Homocysteine Homocysteine Homocysteine NA 91552 NA NA NA NA Homoserine L-Homoserine L-Homoserine HMDB0000719 12647 15699 C00263 5687 N[C@@H](CCO)C(O)=O Hydroxyproline Hydroxyproline Hydroxyproline HMDB0240251 440015 28397 C01015 NA [H][C@@]1(O)CN[C@@]([H])(C1)C(O)=O Hypotaurine Hypotaurine Hypotaurine HMDB0000965 107812 16668 C00519 281 NCCS(O)=O Hypoxanthine Hypoxanthine Hypoxanthine HMDB0000157 790 17368 C00262 83 OC1=NC=NC2=C1NC=N2 Indoxyl Sulfate Indoxyl sulfate Indoxyl sulfate HMDB0000682 10258 43355 NA 524 OS(=O)(=O)OC1=CNC2=CC=CC=C12 Inosine Inosine Inosine HMDB0000195 6021 17596 C00294 84 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(O)N=CN=C12 Inosine-Monophosphate (IMP) dIMP dIMP HMDB0006555 91531 28806 C06196 NA O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1NC=NC2=O Isoleucine L-Isoleucine L-Isoleucine HMDB0000172 6306 17191 C00407 5193 CC[C@H](C)[C@@H](C(=O)O)N Kynurenate Kynurenic acid Kynurenic acid HMDB0000715 3845 18344 C01717 5683 OC(=O)C1=CC(=O)C2=CC=CC=C2N1 Kynurenine L-Kynurenine L-Kynurenine HMDB0000684 161166 16946 C00328 72 N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O Lactate L-Lactic acid L-Lactic acid HMDB0000190 107689 422 C00186 5205 C[C@H](O)C(O)=O Lauric acid Dodecanoic acid Dodecanoic acid HMDB0000638 3893 30805 C02679 5611 CCCCCCCCCCCC(=O)O Lauroylcarnitine Dodecanoylcarnitine Dodecanoylcarnitine HMDB0002250 168381 77086 NA 6573 CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C L-Cysteic Acid Cysteic acid Cysteic acid HMDB0002757 25701 21260 C00506 332 NC(CS(O)(=O)=O)C(O)=O L-Dopa (3,4-Dihydroxyphenylalanine) L-Dopa L-Dopa HMDB0000181 6047 15765 C00355 42 N[C@@H](CC1=CC=C(O)C(O)=C1)C(O)=O Leucine L-Leucine L-Leucine HMDB0000687 6106 15603 C00123 24 CC(C)C[C@H](N)C(O)=O Lignoceric acid Tetracosanoic acid Tetracosanoic acid HMDB0002003 11197 28866 C08320 6427 CCCCCCCCCCCCCCCCCCCCCCCC(=O)O Linoleic acid Linoleic acid Linoleic acid HMDB0000673 5280450 17351 C01595 191 CCCCC/C=CC/C=CCCCCCCCC(=O)O Linolenic acid Alpha-Linolenic acid Alpha-Linolenic acid HMDB0001388 5280934 27432 C06427 6208 CC/C=CC/C=CC/C=CCCCCCCCC(=O)O Lumichrome Lumichrome Lumichrome METPA0216 NA 17781 C01727 NA NA Lysine L-Lysine L-Lysine HMDB0000182 5962 18019 C00047 5200 NCCCC[C@H](N)C(O)=O Malate L-Malic acid L-Malic acid HMDB0000156 222656 30797 C00149 NA O[C@@H](CC(O)=O)C(O)=O Methionine L-Methionine L-Methionine HMDB0000696 6137 16643 C00073 5664 CSCC[C@H](N)C(O)=O Methyl Galactoside Methyl beta-D-glucopyranoside Methyl beta-D-glucopyranoside HMDB0029965 445238 320055 NA NA CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Methyl Vanillate Methyl vanillate Methyl vanillate HMDB0240266 19844 46477 NA NA COC(=O)C1=CC(OC)=C(O)C=C1 Methylarginine NA Methylarginine NA NA NA NA NA NA Methylthioadenosine 5'-Methylthioadenosine 5'-Methylthioadenosine HMDB0001173 439176 17509 C00170 3425 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N Mevalonate Mevalonic acid Mevalonic acid HMDB0000227 449 25351 C00418 127 CC(CCO)(CC(=O)O)O Monoethylmalonate Monoethyl malonic acid Monoethyl malonic acid HMDB0000576 70615 NA NA 5558 CCOC(=O)CC(O)=O Myo-Inositol myo-Inositol myo-Inositol HMDB0000211 NA 17268 C00137 5221 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O Myristic acid Myristic acid Myristic acid HMDB0000806 11005 28875 C06424 196 CCCCCCCCCCCCCC(=O)O Myristoleic acid Myristoleic acid Myristoleic acid HMDB0002000 5281119 27781 C08322 6424 CCCC/C=CCCCCCCCC(=O)O Myristoyl-carnitine NA Myristoyl-carnitine NA NA NA NA NA NA N(6)-Methyllysine N(6)-Methyllysine N(6)-Methyllysine HMDB0002038 164795 17604 C02728 NA CNCCCC[C@H](N)C(O)=O N6-(Delta2-Isopentenyl)-Adenine N6-(delta2-Isopentenyl)-adenine N6-(delta2-Isopentenyl)-adenine METPA1684 NA 17660 C04083 NA NA N-Acetylalanine N-Acetyl-L-alanine N-Acetyl-L-alanine HMDB0000766 88064 40992 NA 5733 C[C@H](NC(C)=O)C(O)=O N-Acetylasparagine N-Acetylasparagine N-Acetylasparagine HMDB0006028 99715 NA NA NA CC(=O)N[C@@H](CC(N)=O)C(O)=O N-Acetylaspartate N-Acetyl-L-aspartic acid N-Acetyl-L-aspartic acid HMDB0000812 65065 21547 C01042 5776 CC(=O)N[C@@H](CC(O)=O)C(O)=O N-Acetylcysteine Acetylcysteine Acetylcysteine HMDB0001890 12035 28939 C06809 784 CC(=O)N[C@@H](CS)C(O)=O N-Acetylglucosamine N-Acetyl-D-glucosamine N-Acetyl-D-glucosamine HMDB0000215 439174 506227 C00140 3356 CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O N-Acetylglutamate N-Acetylglutamic acid N-Acetylglutamic acid HMDB0001138 70914 17533 C00624 6031 CC(=O)N[C@@H](CCC(O)=O)C(O)=O N-Acetylglycine Acetylglycine Acetylglycine HMDB0000532 10972 40410 NA 5517 CC(=O)NCC(O)=O N-Acetylleucine N-Acetylleucine N-Acetylleucine HMDB0011756 70912 17786 C02710 NA CC(C)C[C@H](NC(C)=O)C(O)=O N-Acetyl-L-glutamine N-Acetylglutamine N-Acetylglutamine HMDB0006029 182230 21553 NA NA CC(=O)N[C@@H](CCC(N)=O)C(O)=O N-Acetylmethionine N-Acetylmethionine N-Acetylmethionine HMDB0011745 6180 21557 C02712 NA CSCC[C@H](NC(C)=O)C(O)=O N-Acetylneuraminate N-Acetylneuraminate N-Acetylneuraminate NA 3568 17012 C00270 NA NA N-Acetylphenylalanine N-Acetyl-L-phenylalanine N-Acetyl-L-phenylalanine HMDB0000512 74839 16259 C03519 5498 CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O N-Acetylputrescine N-Acetylputrescine N-Acetylputrescine HMDB0002064 122356 17768 C02714 3252 CC(=O)NCCCCN N-Acetylserine N-Acetylserine N-Acetylserine HMDB0002931 65249 45441 NA 308 CC(=O)N[C@@H](CO)C(O)=O N-Alpha-Acetyllysine N-Alpha-acetyllysine N-Alpha-acetyllysine HMDB0000446 192590 35704 C12989 5435 CC(=O)NC(CCCCN)C(=O)O N-Amidino-L-Aspartate Guanidinosuccinic acid Guanidinosuccinic acid HMDB0003157 439918 17072 C03139 10 NC(=N)N[C@@H](CC(O)=O)C(O)=O Nervonic acid Nervonic acid Nervonic acid HMDB0002368 5281120 44247 C08323 262 CCCCCCCC/C=CCCCCCCCCCCCCCC(=O)O N-Formyl-L-Methionine N-Formyl-L-methionine N-Formyl-L-methionine HMDB0001015 439750 16552 C03145 5945 CSCC[C@H](NC=O)C(O)=O Nicotinamide Niacinamide Niacinamide HMDB0001406 936 17154 C00153 1497 NC(=O)C1=CC=CN=C1 Nicotinamide adenine dinucleotide phosphate (NADP+) NADPH NADPH HMDB0000217 5886 44409 C00006 5227 NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O Nicotinamide adenine dinucleotide reduced (NADH) NA Nicotinamide adenine dinucleotide reduced NA NA NA NA NA NA N-Metyl-Alanine N-Methylalanine N-Methylalanine HMDB0094692 5288725 17519 C02721 NA [H][C@@](C)(NC)C(O)=O Norvaline Norvaline Norvaline HMDB0013716 439575 28804 C01799 NA CCC[C@@H](N)C(O)=O Oleic acid Oleic acid Oleic acid HMDB0000207 445639 16196 C00712 190 CCCCCCCC/C=CCCCCCCCC(=O)O Omega-Hydroxydodecanoate Sabinic acid Sabinic acid HMDB0002059 79034 39567 C08317 6465 O=C(O)CCCCCCCCCCCO O-Phosphoethanolamine O-Phosphoethanolamine O-Phosphoethanolamine HMDB0000224 1015 17553 C00346 5233 NCCOP(O)(O)=O O-Phosphoserine Phosphoserine Phosphoserine HMDB0000272 68841 15811 C01005 5270 N[C@@H](COP(O)(O)=O)C(O)=O Ophthalmate Ophthalmic acid Ophthalmic acid HMDB0005765 7018721 84058 C21016 NA CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Ornithine Ornithine Ornithine HMDB0000214 6262 15729 C00077 27 NCCC[C@H](N)C(O)=O Orotate Orotic acid Orotic acid HMDB0000226 967 16742 C00295 318 OC(=O)C1=CC(=O)NC(=O)N1 O-Succinyl-Homoserine O-Succinyl-L-homoserine O-Succinyl-L-homoserine METPA0134 NA 16160 C01118 NA NA Oxoglutarate Oxoglutaric acid Oxoglutaric acid HMDB0000208 51 30915 C00026 5218 OC(=O)CCC(=O)C(O)=O Oxoproline Pyroglutamic acid Pyroglutamic acid HMDB0000267 7405 18183 C01879 3251 OC(=O)[C@@H]1CCC(=O)N1 Palmitate Palmitic acid Palmitic acid HMDB0000220 985 15756 C00249 187 CCCCCCCCCCCCCCCC(=O)O Palmitoleic acid Palmitoleic acid Palmitoleic acid HMDB0003229 5312427 28716 C08362 188 CCCCCC/C=CCCCCCCCC(=O)O Pantothenate Pantothenic acid Pantothenic acid HMDB0000210 6613 46905 C00864 NA CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O Pentadecanoic acid Pentadecanoic acid Pentadecanoic acid HMDB0000826 13849 42504 C16537 5789 CCCCCCCCCCCCCCC(=O)O Pentanoate Valeric acid Valeric acid HMDB0000892 7991 17418 C00803 110 CCCCC(=O)O Phenylalanine L-Phenylalanine L-Phenylalanine HMDB0000159 6140 17295 C00079 28 N[C@@H](CC1=CC=CC=C1)C(O)=O Phenylpyruvate Phenylpyruvic acid Phenylpyruvic acid HMDB0000205 997 30851 C00166 328 OC(=O)C(=O)CC1=CC=CC=C1 Phosphocreatine Phosphocreatine Phosphocreatine HMDB0001511 587 17287 C02305 6288 CN(CC(O)=O)C(=N)NP(O)(O)=O Phosphoenolpyruvate Phosphoenolpyruvic acid Phosphoenolpyruvic acid HMDB0000263 1005 44897 C00074 5264 OC(=O)C(=C)OP(O)(O)=O Phosphorylcholine Phosphorylcholine Phosphorylcholine HMDB0001565 1014 18132 C00588 6326 C[N+](C)(C)CCOP(O)(O)=O Phosphoserine Phosphoserine Phosphoserine HMDB0000272 68841 15811 C01005 5270 N[C@@H](COP(O)(O)=O)C(O)=O Pipecolate Pipecolic acid Pipecolic acid HMDB0000070 849 17964 C00408 50 OC(=O)C1CCCCN1 Proline L-Proline L-Proline HMDB0000162 145742 17203 C00148 29 OC(=O)[C@@H]1CCCN1 Propionyl-carnitine Propionylcarnitine Propionylcarnitine HMDB0000824 107738 28867 C03017 5787 CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Pterin Pterin Pterin HMDB0000802 73000 18265 C00715 5766 NC1=NC2=NC=CN=C2C(=O)N1 Pyridoxal Pyridoxal Pyridoxal HMDB0001545 1050 17310 C00250 6312 CC1=NC=C(CO)C(C=O)=C1O Pyrophosphomevalonate (R)-Mevalonic acid-5-pyrophosphate (R)-Mevalonic acid-5-pyrophosphate HMDB0001981 22833574 NA NA 6415 C[C@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O Pyruvate Pyruvic acid Pyruvic acid HMDB0000243 1060 32816 C00022 117 CC(=O)C(=O)O Quinolinate Quinolinic acid Quinolinic acid HMDB0000232 1066 16675 C03722 330 OC(=O)C1=CC=CN=C1C(O)=O Quinoline Quinoline Quinoline HMDB0033731 7047 17362 C06413 NA C1=CC=C2N=CC=CC2=C1 Raffinose Raffinose Raffinose HMDB0003213 439242 16634 C00492 138 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Retinoate All-trans-retinoic acid All-trans-retinoic acid HMDB0001852 444795 15367 C00777 2277 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C Rhamnose Rhamnose Rhamnose HMDB0000849 25310 62346 C00507 5812 C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O Riboflavin Riboflavin Riboflavin HMDB0000244 493570 17015 C00255 5249 CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 Ribose D-Ribose D-Ribose HMDB0000283 5779 47013 C00121 313 OC[C@H]1OC(O)[C@H](O)[C@@H]1O Ricinoleic acid Ricinoleic acid Ricinoleic acid HMDB0034297 643684 28592 C08365 NA CCCCCCC(C/C=CCCCCCCCC(=O)O)O S-Adenosylhomocysteine S-Adenosylhomocysteine S-Adenosylhomocysteine HMDB0000939 439155 16680 C00021 296 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O S-Adenosylmethionine S-Adenosylmethionine S-Adenosylmethionine HMDB0001185 34756 15414 C00019 6064 C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N Sarcosine Sarcosine Sarcosine HMDB0000271 1088 15611 C00213 51 CNCC(O)=O Serine Serine Serine HMDB0062263 5951 17822 C00716 5203 N[C@@H](CO)C(O)=O Serotonin Serotonin Serotonin HMDB0000259 5202 28790 C00780 74 NCCC1=CNC2=C1C=C(O)C=C2 Sn-Glycero-3-Phosphocholine sn-Glycero-3-phosphocholine sn-Glycero-3-phosphocholine HMDB0000086 71920 16870 C00670 370 C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O Sphinganine Sphinganine Sphinganine HMDB0000269 91486 16566 C00836 5268 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O Sphingomyelin SM(d18:1/18:0) SM(d18:1/18:0) HMDB0001348 5283588 17636 C00550 176 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O Stachydrine (nv) Stachydrine Stachydrine HMDB0004827 7016563 35280 C10172 7089 C[N+]1(CCC[C@H]1C(=O)[O-])C Stachyose Stachyose Stachyose HMDB0003553 439531 17164 C01613 6951 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Stearic acid Stearic acid Stearic acid HMDB0000827 5281 28842 C01530 189 CCCCCCCCCCCCCCCCCC(=O)O Succinate Succinic acid Succinic acid HMDB0000254 1110 15741 C00042 114 O=C(O)CCC(=O)O Succinyladenosine Succinyladenosine Succinyladenosine HMDB0000912 20849086 71169 NA 5867 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12 Succinylaminoimidazole carboxamide riboside (SAICAr) Succinylaminoimidazole carboxamide riboside Succinylaminoimidazole carboxamide riboside HMDB0240295 54478644 NA NA NA NC1=C(N=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O Succinylcysteine NA Succinylcysteine NA NA NA NA NA NA Sucrose Sucrose Sucrose HMDB0000258 5988 17992 C00089 137 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Tartrate Tartaric acid Tartaric acid HMDB0000956 444305 15671 C00898 NA O[C@H]([C@@H](O)C(O)=O)C(O)=O Taurine Taurine Taurine HMDB0000251 1123 15891 C00245 31 NCCS(O)(=O)=O Thiamine Monophosphate Thiamine monophosphate Thiamine monophosphate HMDB0002666 3382778 37574 C01081 3488 CC1=C(CCOP(O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N Thiamine Pyrophosphate Thiamine pyrophosphate Thiamine pyrophosphate HMDB0001372 1132 9532 C00068 2832 CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N Threonine L-Threonine L-Threonine HMDB0000167 6288 16857 C00188 32 C[C@@H](O)[C@H](N)C(O)=O Thymidine Thymidine Thymidine HMDB0000273 5789 17748 C00214 3375 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O Thymidine-Monophosphate (TMP) thymidine 3'-monophosphate thymidine 3'-monophosphate HMDB0062560 5463 77843 NA NA CC1=CN(C2CC(OP(O)(O)=O)C(CO)O2)C(=O)N=C1O Thymine Thymine Thymine HMDB0000262 1135 17821 C00178 290 CC1=CNC(=O)NC1=O Trans-4-Hydroxy-L-Proline 4-Hydroxyproline 4-Hydroxyproline HMDB0000725 5810 18095 C01157 257 O[C@H]1CN[C@@H](C1)C(O)=O Trehalose Trehalose Trehalose HMDB0000975 7427 16551 C01083 5913 OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O Tridecanoic acid Tridecanoic acid Tridecanoic acid HMDB0000910 656741 45919 C17076 5866 CCCCCCCCCCCCC(=O)O Trigonelline Trigonelline Trigonelline HMDB0000875 5570 18123 C01004 273 C[N+]1=CC=CC(=C1)C([O-])=O Trimethyllysine N6,N6,N6-Trimethyl-L-lysine N6,N6,N6-Trimethyl-L-lysine HMDB0001325 440120 17311 C03793 6161 C[N+](C)(C)CCCC[C@H](N)C([O-])=O Tryptophan L-Tryptophan L-Tryptophan HMDB0000929 6305 16828 C00078 5879 N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O Tyrosine L-Tyrosine L-Tyrosine HMDB0000158 6057 17895 C00082 34 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O Undecanoic acid Undecanoic acid Undecanoic acid HMDB0000947 8180 32368 C17715 5894 CCCCCCCCCCC(=O)O Uracil Uracil Uracil HMDB0000300 1174 17568 C00106 258 O=C1NC=CC(=O)N1 Urate Uric acid Uric acid HMDB0000289 1175 17775 C00366 88 O=C1NC2=C(N1)C(=O)NC(=O)N2 Ureidopropionate Ureidopropionic acid Ureidopropionic acid HMDB0000026 111 18261 C02642 5097 NC(=O)NCCC(O)=O Uridine Uridine Uridine HMDB0000296 6029 16704 C00299 90 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O Uridine 5'-Diphosphate (UDP) Uridine 5'-diphosphate Uridine 5'-diphosphate HMDB0000295 6031 17659 C00015 NA O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O Uridine Diphosphate Glucose Uridine diphosphate glucose Uridine diphosphate glucose HMDB0000286 8629 46229 C00029 5278 OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O Uridine Diphosphate Glucuronic Acid Uridine diphosphate glucuronic acid Uridine diphosphate glucuronic acid HMDB0000935 17473 17200 C00167 5884 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O Uridine Diphosphategalactose Uridine diphosphategalactose Uridine diphosphategalactose HMDB0000302 18068 67119 C00052 5291 OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O Uridine Diphosphate-N-Acetylgalactosamine Uridine diphosphate-N-acetylgalactosamine Uridine diphosphate-N-acetylgalactosamine HMDB0000304 1167 NA C00203 5293 CC(O)=NC1C(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(O)=NC2=O)OC(CO)C(O)C1O Uridine Diphosphate-N-Acetylglucosamine Uridine diphosphate-N-acetylglucosamine Uridine diphosphate-N-acetylglucosamine HMDB0000290 445675 16264 C00043 5281 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O Uridine Monophosphate (UMP) Uridine 5'-monophosphate Uridine 5'-monophosphate HMDB0000288 6030 16695 C00105 NA O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O Uridine-5-triphosphate (UTP) Deoxyuridine triphosphate Deoxyuridine triphosphate HMDB0001191 65070 17625 C00460 6069 O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O Urocanate Urocanic acid Urocanic acid HMDB0000301 736715 30817 C00785 298 OC(=O)C=CC1=CNC=N1 Valine L-Valine L-Valine HMDB0000883 6287 16414 C00183 5842 CC(C)[C@H](N)C(O)=O Xanthosine Xanthosine Xanthosine HMDB0000299 64959 18107 C01762 3408 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(O)N=C2O Xanthosine-Monophosphate NA Xanthosine-Monophosphate NA NA NA NA NA NA Xanthurenate Xanthurenic acid Xanthurenic acid HMDB0000881 5699 10072 C02470 5841 OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1 Ximeninic Acid Ximenynic acid Ximenynic acid NA 5312688 NA NA NA CCCCCC/C=C/C#CCCCCCCCC(=O)O Xylitol/Ribitol/Arabitol Xylitol Xylitol HMDB0002917 6912 17151 C00379 NA OC[C@H](O)[C@@H](O)[C@H](O)CO Alanine-IS Alanine-IS Alanine-IS NA NA NA NA NA NA Glucose-IS Glucose-IS Glucose-IS NA NA NA NA NA NA Glutamate -IS Glutamate -IS Glutamate -IS NA NA NA NA NA NA Glutamine - IS Glutamine - IS Glutamine - IS NA NA NA NA NA NA Lactate -IS Lactate -IS Lactate -IS NA NA NA NA NA NA Mannitol/Sorbitol Mannitol/Sorbitol Mannitol/Sorbitol NA NA NA NA NA NA Pyruvate - IS Pyruvate - IS Pyruvate - IS NA NA NA NA NA NA Threitol Erythritol & Erythritol Erythritol & Erythritol NA NA NA NA NA NA Sedoheptulose-7-phosphate (D) Sedoheptulose-7-phosphate Sedoheptulose-7-phosphate NA NA NA NA NA NA 3-Methyl-2-Oxovalerate 3-Methyl-2-Oxovalerate & Ketoleucine 3-Methyl-2-Oxovalerate & Ketoleucine NA NA NA NA NA NA METABOLITES_END #END