#METABOLOMICS WORKBENCH renpingl_20250107_141746 DATATRACK_ID:5510 STUDY_ID:ST003695 ANALYSIS_ID:AN006063 PROJECT_ID:PR002293 VERSION 1 CREATED_ON January 14, 2025, 6:52 pm #PROJECT PR:PROJECT_TITLE Investigating the role of 4-diets through multi-organ and multi-omic crosstalk PR:PROJECT_TYPE Targeted MS quantitative analysis PR:PROJECT_SUMMARY Presently, dietary patterns have undergone significant shifts, and understanding PR:PROJECT_SUMMARY the intricate interplay between diet, particularly high fat and high sucrose PR:PROJECT_SUMMARY diets, the gut microbiome, and cardiometabolic health has become paramount. PR:PROJECT_SUMMARY These dietary patterns have been consistently associated with heightened PR:PROJECT_SUMMARY cardiometabolic risk factors including obesity, insulin resistance, PR:PROJECT_SUMMARY dyslipidemia, and hypertension. High-fat diets, in particular, contribute to PR:PROJECT_SUMMARY increased adiposity and ectopic fat deposition, exacerbating systemic PR:PROJECT_SUMMARY inflammation and oxidative stress, thereby promoting the development of PR:PROJECT_SUMMARY metabolic dysfunction. Similarly, high sucrose diets have been implicated in the PR:PROJECT_SUMMARY dysregulation of glucose homeostasis, leading to insulin resistance and PR:PROJECT_SUMMARY hyperglycemia, key hallmarks of cardiometabolic diseases such as type 2 diabetes PR:PROJECT_SUMMARY mellitus. Amidst this, the exploration of multi-omic profiles alongside the gut PR:PROJECT_SUMMARY microbial landscape has emerged as a pivotal avenue for unraveling the PR:PROJECT_SUMMARY complexities of cardiometabolic health dynamics affected by the effects of PR:PROJECT_SUMMARY high-fat and high-sucrose diets. The approach of using a multi-omic comparison PR:PROJECT_SUMMARY between organs offers a comprehensive lens through which the intricate molecular PR:PROJECT_SUMMARY signatures underlying the impact of dietary compositions, particularly high fat PR:PROJECT_SUMMARY and high sucrose, on metabolic health, can be examined. PR:INSTITUTE University of Sydney PR:DEPARTMENT School of Medical Sciences PR:LABORATORY Cardiometabolic Disease PR:LAST_NAME Liu PR:FIRST_NAME Renping PR:ADDRESS The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006 PR:EMAIL renping.liu@sydney.edu.au PR:PHONE +61432953638 #STUDY ST:STUDY_TITLE Metabolomics studies on mouse cecum samples on a Western diet ST:STUDY_SUMMARY Targeted metabolomics was performed using liquid chromatography-tandem mass ST:STUDY_SUMMARY spectrometry (LC-MS/MS).to measure polar metabolites in both positive and ST:STUDY_SUMMARY negative ionization mode on cecummice tissue acquired after a 30 week dietary ST:STUDY_SUMMARY intervention. ST:INSTITUTE University of Sydney ST:DEPARTMENT School of Medical Sciences ST:LABORATORY Cardiometabolic Disease ST:LAST_NAME Liu ST:FIRST_NAME Renping ST:ADDRESS Charles Perkins Centre ST:EMAIL renping.liu@sydney.edu.au ST:PHONE +61432953638 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 35 ST:NUM_MALES 35 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J SU:AGE_OR_AGE_RANGE 6 weeks old SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Australian Resource Centre SU:ANIMAL_HOUSING 3 per cage SU:ANIMAL_LIGHT_CYCLE 12-hour light-dark cycle #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 - C59.1 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C59.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - C59.2 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C59.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - C59.3 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C59.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - C61.1 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C61.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - C61.2 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C61.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - C61.3 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C61.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - C62.1 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C62.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - C62.2 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C62.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - C62.3 Sample source:cecum | Diet:chow RAW_FILE_NAME(Raw file name)=C62.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF58.1 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF58.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF58.2 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF58.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF58.3 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF58.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF65.1 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF65.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF65.2 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF65.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF65.3 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF65.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF67.1 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF67.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF67.2 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF67.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HF67.3 Sample source:cecum | Diet:hfd RAW_FILE_NAME(Raw file name)=HF67.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS56.1 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS56.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS56.2 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS56.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS56.3 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS56.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS57.1 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS57.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS57.3 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS57.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS66.1 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS66.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS66.2 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS66.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HFHS66.3 Sample source:cecum | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS66.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS60.1 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS60.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS60.2 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS60.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS60.3 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS60.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS63.1 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS63.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS63.2 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS63.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS63.3 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS63.3_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS64.1 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS64.1_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS64.2 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS64.2_cecum.mzML SUBJECT_SAMPLE_FACTORS - HS64.3 Sample source:cecum | Diet:hsd RAW_FILE_NAME(Raw file name)=HS64.3_cecum.mzML #COLLECTION CO:COLLECTION_SUMMARY Mouse cecum samples were collected at the end of the experimental design (after CO:COLLECTION_SUMMARY 30-weeks on the diet) during the cull. These samples were immediately clamped CO:COLLECTION_SUMMARY with metal clamps and snap-frozen in liquid nitrogen and stored in -80 degrees CO:COLLECTION_SUMMARY Celsius until further analysis. This process was approved by the University of CO:COLLECTION_SUMMARY Sydney’s Ethics Committee (USYD # 2017/1294). CO:SAMPLE_TYPE Cecum CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY 36 male C57BL/6J mice were allocated to four different diets (n = 7-8) TR:TREATMENT_SUMMARY consisting of a control diet (Chow), a high-sucrose diet (HSD), a high-fat diet TR:TREATMENT_SUMMARY (HFD), and a high-fat high-sucrose (western) diet (HFHSD) at 8 weeks of age. TR:TREATMENT_SUMMARY Mice had ad libitum access to their food and autoclaved water. One mouse was TR:TREATMENT_SUMMARY euthanised prior to the expected experimental endpoint due to the loss of body TR:TREATMENT_SUMMARY condition and was excluded from this study. 4 samples were not collected after TR:TREATMENT_SUMMARY euthanisation making the groups (n = 7-8) TR:TREATMENT Chow, HFD, HSD, HFHSD #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 50 mg of ground cecum tissue was weighed into 2 mL Eppendorf tube SP:SAMPLEPREP_SUMMARY and subjected to a two-phase extraction protocol involving tissue, ice-cold SP:SAMPLEPREP_SUMMARY extraction medium (methanol:water, and chloroform). Samples were then SP:SAMPLEPREP_SUMMARY centrifuged at 14 000 x g at 4 °C for 25 min. The aqueous layer was transferred SP:SAMPLEPREP_SUMMARY into a new microfuge tube and reconstituted in the acetonitrile/methanol/formic SP:SAMPLEPREP_SUMMARY acid (75:25:0.2; v/v/v, HPLC grade; Thermo Fisher Scientific) for the HILIC SP:SAMPLEPREP_SUMMARY analysis, and acetonitrile/methanol (25:25; v/v/v, HPLC grade) for the AMIDE and SP:SAMPLEPREP_SUMMARY NAD analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic method to detect analytes such as amino acids, endocannabinoids, CH:CHROMATOGRAPHY_SUMMARY fatty acid β-oxidation intermediates, gut-derived metabolites, nucleotides, CH:CHROMATOGRAPHY_SUMMARY neurotransmitters, cofactors and vitamins. CH:CHROMATOGRAPHY_TYPE AMIDE CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Waters XBridge BEH Amide (100 x 2.1mm,2.5um) CH:SOLVENT_A 95% acetonitrile/5% water; 20mM ammonium acetate; 20mM ammonium hydroxide (pH CH:SOLVENT_A 9.0) CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT The LC gradient program is initialized with an initial mobile phase composition CH:FLOW_GRADIENT of 15% solvent A and 85% solvent B at a flow rate of 0.25 mL/min. Over the CH:FLOW_GRADIENT course of 8 minutes, the mobile phase composition undergoes a transition to 65% CH:FLOW_GRADIENT solvent A and 35% solvent B. Subsequently, at 8 minutes, the composition shifts CH:FLOW_GRADIENT to 98% solvent A and 2% solvent B, maintained for 1 minute. The mobile phase CH:FLOW_GRADIENT reverts back to the initial composition of 15% solvent A and 85% solvent B at 10 CH:FLOW_GRADIENT minutes. At 12.5 minutes, the flow rate is increased to 0.4 mL/min, while CH:FLOW_GRADIENT maintaining a constant mobile phase composition of 15% solvent A and 85% solvent CH:FLOW_GRADIENT B for a period of 2.5 minutes. Finally, at 15 minutes, the flow rate is reduced CH:FLOW_GRADIENT back to 0.25 mL/min. To ensure system stability, the final condition is CH:FLOW_GRADIENT maintained for 1 minute prior to subsequent analyses. CH:FLOW_RATE 0.250 – 0.400 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE API MS:ION_MODE NEGATIVE MS:MS_COMMENTS Targeted metabolite profiling was performed using MS multiple MS:MS_COMMENTS reaction-monitoring transitions. Multiple Reaction Monitoring (MRM) Q1/Q3 peak MS:MS_COMMENTS integration of the raw data files (Analyst software, v.1.6.2; ABSciex) was MS:MS_COMMENTS performed using software MultiQuant 3.0 (ABSciex). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples C59.1 C59.2 C59.3 C61.1 C61.2 C61.3 C62.1 C62.2 C62.3 HF58.1 HF58.2 HF58.3 HF65.1 HF65.2 HF65.3 HF67.1 HF67.2 HF67.3 HFHS56.1 HFHS56.2 HFHS56.3 HFHS57.1 HFHS57.3 HFHS66.1 HFHS66.2 HFHS66.3 HS60.1 HS60.2 HS60.3 HS63.1 HS63.2 HS63.3 HS64.1 HS64.2 HS64.3 Factors Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:chow Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hfhsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd Sample source:cecum | Diet:hsd 2H2MB 10911926.62 5478078.437 15728879.93 5882149.497 799443.4089 1544733.725 1191956.174 881185.034 2931415.572 9355189.689 8900221.372 11427236.07 3293857.742 2602435.072 5830386.474 8659464.862 4434929.901 1890569.402 14334835.08 11642433.19 5747782.639 5613724.623 2574925.944 19416513.51 13173243.3 4220474.633 4656272.608 8637571.737 4795455.067 51700.694 4421903.3 2882924.43 2207180.926 6204875.701 2521961.852 2-HG 63389093.68 31259238.4 88833856.82 32409942.59 3980941.804 8180066.092 5945052.797 4121077.502 15477843.44 61364101.85 54091653.59 66225819.38 17723356.87 14336982.53 33024836.9 47035123.72 22424746.73 9988426.904 86111419.59 63962497.72 32623162.17 30793111.24 12953503.4 110205313.6 76340176.74 20433187.01 25553444.51 51439025.55 28956947.87 213512.4055 23636061.43 16407604 11939802.06 34784936.84 13454152.55 2-IPM 3067659.244 2373325.037 2483772.911 2228522.438 775096.1834 1036865.295 1147655.139 1550144.253 955823.4552 2148568.186 2403928.563 2844202.732 1473689.916 2141996.012 1312631.84 2513559.51 2646293.242 1791035.423 3387122.248 1852974.385 1530800.48 1589380.423 1230669.793 2554512.365 1714688.977 1141489.347 1144855.059 2122589.878 979440.9633 750318.3309 681120.889 874318.3078 908330.3328 1198251.202 748269.1021 2-KH 6194.8275 4827.337 308.611 2979.0825 6015.3795 3340.554 3361.711 1309.704 2441.833 3186.379 3958.1805 1562.4505 2072.1455 5170.8645 4353.7 6409.556 4059.488 2879.443 6484.81 5613.426 6260.266 5803.7485 2073.971 5106.737 15094.3625 3616.342 3669.752 5461.6155 2130.514 1031.4 2875.7775 2084.737 2891.2495 1836.6695 1500.393 2-MAA 8925.4645 2570.6525 10218.7165 8733.9715 9901.192 5017.4635 11117.9075 2806.748 15252.609 11684.672 13830.375 15845.011 12836.73 24998.691 13862.66246 9911.515 15430.9525 10331.728 16678.7785 13584.0135 25689.278 15650.068 30851.7885 18661.18 22420.145 21515.7095 19596.4955 17775.9885 23205.2055 1008.0005 8096.3255 5543.951 24979.294 8495.012 40373.661 2-OB 4954703.431 5234184.032 6070911.578 7378140.931 6421227.836 6790336.203 9800963.151 6299457.98 7440573.706 6317484.473 7296674.355 5321516.511 8617044.033 6176925.631 8535023.28 7774266.54 7831626.687 6946610.941 5725789.571 9190407.835 6381464.233 6902265.197 7840866.218 7487497.83 7473795.713 7327308.228 7551159.915 8174485.881 5937104.505 22950.117 9187547.337 9437635.374 6605578.403 7929287.566 6202648.776 2-OD 43985676.07 36636598.96 50564907.96 29385431.07 18900532.17 22881435.91 19641327.57 20698497.2 23496116.77 45580795.11 40827135.62 47121121.77 26394499.06 24100918.17 23636898.91 28711879.85 31147542.52 24473129.15 48197015.06 33524168.81 27311944.32 19485405.21 28745035.18 33857993.35 26317080.56 26812967.22 31081322.26 24125466.59 39373103.62 7004567.186 17437059.85 18884405.83 30750439.15 19622642.2 18123916.17 3_HAA 751578.11 224872.05 650329.574 196740.486 107117.123 76730.989 83603.8435 130062.6005 414353.1565 1959503.483 874816.4767 707190.1681 241261.785 396080.5022 450682.2847 602739.1015 344461.4025 194196.3735 1996302.49 1062710.337 641308.2398 523512.319 624289.458 1490651.043 840339.774 741622.3065 804302.683 313673.072 746678.315 2898.7165 209783.8325 259930.4435 756055.8075 216657.038 365466.413 3H3MGcoA 1431.5395 1548.897 933.837 1053.381 687.664 402.7385 662.6845 403.6435 424.3525 1413.4785 762.728 1220.4985 483.989 417.044 1901.769 1361.207 872.1275 1038.609 4199.206 970.5115 508.4645 684.0105 357.5135 806.937 1846.132 476.1225 1696.997 1780.6975 915.2275 222.6735 699.348 720.301 304.396 620.8945 510.8985 3-HB 248547.859 595988.6 1307614.529 2101840.134 445875.2755 327757.1784 185110.4085 482292.4311 2698852.679 6715419.374 1319703.044 1580085.051 708468.8765 1556206.68 878936.7875 533432.9658 2077758.69 1088035.344 6510751.669 1058138.325 1483383.96 417533.58 1337228.806 1587507.69 1690895.267 2129585.542 1053292.892 973585.9359 5486276.264 12988.9555 538872.109 792123.1063 6113927.021 961620.9 992224.072 3HBUSE 24410.216 6237.4995 100315.1166 3449.2385 8528.9385 1045.477 7313.227 2589.334499 120848.9952 66693.01459 31737.33321 863481.8065 9387.17 3598.365 1182.608 1901.032 17847.734 749.3215 10271.6015 1230.0795 38354.04049 113652.6147 13491.561 3273.1245 852.8325 18478.306 42073.6095 1294575.561 160456.2102 651.079 5937.3625 2518.939 2140.549 1570.1925 4214.2505 3-HK 51532.4905 39353.52793 9275.931556 20767.701 8379.250746 27279.1845 36299.3485 33362.9875 16729.8425 901.9705 30956.627 N/A 44463.78181 14692.13581 31295.692 23733.1305 12974.547 45176.1785 21946.0705 16983.33992 10214.60605 14119.397 16610.44828 34605.97642 34611.0445 9923.302 20036.6945 27077.5105 23169.1375 588.1925 13596.5895 7301.186 14014.0315 13577.78232 22608.18013 3M2OB 11134314.72 8130763.772 8486834.432 7432790.984 2283356.126 5105773.134 2362622.165 2274405.012 4500518.875 38942770.44 16799148.98 11995732.84 6666368.747 9622625.819 7845756.783 11974866.67 8206490.519 4116657.012 21337061.24 7234944.634 6644879.775 4968590.691 7021919.735 18400240.89 16222602.94 4485887.659 7886098.839 8420646.892 8611177.948 25799.5455 2712765.686 2152525.775 9305051.759 4955631.948 2570295.724 3-PG 1355043.16 1316453.642 908825.5842 448690.718 911863.897 622978.4607 462446.651 900657.2818 4181800.002 32622653.29 1094863.073 1403571.741 360639.7755 3635517.327 404111.929 703018.033 820086.41 1357000.732 7066754.1 686098.79 865687.9748 245465.967 842432.3685 1119424.978 476572.5715 1653891.83 1103202.46 1061204.117 6443472.513 299.8525 113959.758 106076.7735 7993098.093 565928.075 792623.266 4-HPA 3754193.041 5297519.923 2655528.695 1578220.36 5300081.746 3123301.933 15529841.22 3360257.813 3141416.6 3293299.582 2216656.39 1164580.723 6285365.983 3208197.89 1907673.997 1886902.985 1831815.965 2178966.473 528834.1615 1269970.593 418419.0215 833993.1225 2286549.643 1382340.257 1794146.309 2899854.894 1519623.516 1239169.337 2555568.263 3649.173 3026980.041 2036385.506 9972051.045 3225685.361 3418521.592 5-HIAA 2664301.289 1421659.22 888567.996 4810017.091 1716549.223 1533302.703 1505011.614 2940460.797 3678855.388 1221112.862 2965161.674 991771.8735 1940994.989 3983757.369 1434547.117 5747747.072 2064077.847 2250307.858 4311165.764 1554132.938 1276693.906 2149427.572 3841975.99 1573701.651 3374330.536 3173895.35 1881085.614 4392260.856 937837.5195 3897196.296 1359128.309 2341376.161 5448453.174 1638592.711 2642188.84 AA 1713374.748 717612.919 1706902.393 743192.302 483406.8745 480001.81 399371.5395 351431.693 937135.963 4345902.976 2382478.417 2321688.673 1260919.386 1050250.389 1428984.868 1903268.829 1892731.411 1040953.88 4097729.999 2234421.793 1921704.807 1494124.021 2148653.653 2692975.097 2453586.754 2261675.517 1758710.196 857408.601 1856900.918 1205.2645 658709.5795 587179.431 2038093.623 774079.3395 1043498.763 AAD 218600.7515 156629.0115 271643.212 115808.807 46815.326 71191.074 89857.944 90505.602 24285.4265 268237.448 344290.4945 204536.732 95983.6095 96670.939 157522.4395 127533.218 187368.0705 109887.5445 134975.189 167189.0135 103790.403 90470.4665 105623.1325 173158.867 196010.28 115609.842 172562.4845 95918.609 113541.3335 11698.2155 160623.8415 107241.927 48252.093 89086.8225 160455.256 Acetyl-coA 4395.3915 4770.2 3195.0685 1097.1 1137.327 3319.268 2625.2835 1027.847 1131.577 7098.6235 4493.304 2096.841 1701.747 1305.112 1264.08 282.118 1796.76 1082.426 1609.453 2153.7085 816.477 986.953 1716.904 3132.697 1079.137 896.908 3765.0595 1480.188 4805.597 N/A 1324.869 761.3 2764.048 372.968 1209.892 ACP 38179.3975 39518.5825 16772.1245 2465.5405 1552.5645 2862.3545 1821.3995 1269.988 1170.6215 6144.404 2809.737 2757.546 1688.9545 3784.9895 1944.384 2165.479 2413.701 2110.8635 2346.951 1786.2675 1714.4625 1632.841 2579.279 11790.1525 1551.2135 1315.6265 2613.07 30538.497 4113.5945 983.5185 3201.735 3385.7915 3378.5635 1704.715 2108.4205 ADP.1 1192.354 1537.5255 2973.4595 1263.6995 1260.1895 728.894 750.49 818.1105 1655.1385 1552.168 1889.3145 5681.302 545.454 885.81 316.983 1175.0495 748.6545 1374.954 5166.0885 2038.5025 6983.44651 730.671 753.9485 2596.4685 795.213 874.878 838.979 2040.0315 5547.273 534.186 1389.8245 469.897 1915.248 1924.355 2271.617 ADP.2 751.9425 1621.548 1616.3045 687.969 1013.2535 896.382 531.71 1535.1655 2469.7145 1384.4545 773.547 3742.5545 1163.7275 993.305 413.132 1198.4565 532.6165 2150.8475 6074.804 1419.588 478.483 557.2675 712.361 1804.858 1823.4675 708.4085 1216.817 675.901 4954.641 427.1165 1619.167 1347.722 1249.441 750.946 2256.502 Allantoin 128710.0895 173885.331 194888.8115 38946.7905 367787.997 57115.9215 159126.187 217057.136 299858.361 619787.6715 159771.99 55756.0905 202380.8365 519205.325 42073.84325 63090.6155 47504.6985 152166.5875 247849.4185 49282.981 421527.9655 37659.283 102027.9365 49283.8685 36005.1225 49853.8475 286654.232 52080.961 1026983.823 1284.3305 40728.3855 37237.7325 807623.6365 96070.6675 169289.3675 AMP.1 33125.14058 97363.782 13077.13259 73520.324 83240.013 32063.6565 79768.3095 182591.7115 161239.0553 50643.1485 35976.3715 20559.69012 42311.958 17168.9955 10082.66686 35004.7155 40777.7385 64011.7405 97413.645 14291.149 68217.3205 11977.598 10135.7215 49643.053 17314.8365 34479.7805 14156.134 863823.4125 100793.8085 3095.905 12554.266 60151.59603 727206.801 25191.473 18939.542 AMP.2 1590.385 1090.7915 1660.3805 1128.7775 1988.657 2047.4935 2190.3035 1992.1695 4990.9775 453.632 1025.845 749.708 1606.9115 1453.4905 925.2405 1990.2895 443.8275 1858.7745 1254.2 2153.3955 1373.373 1439.0425 1069.991 1923.0335 1461.907 2069.502 779.733 2270.059 1375.641 1050.0715 1239.8835 1388.838 4139.8255 1833.599 815.2985 Arginosuccinate 43497.448 48834.156 20653.585 12664.9815 8877.1945 18758.173 18653.57 12003.174 21963.757 37550.6625 50179.9025 70736.8675 23424.953 51687.92 21617.292 21036.3015 29851.1645 28319.835 51074.1165 57053.63 24354.4645 41429.7875 24156.9295 45284.834 57905.6185 12782.9585 31505.7955 19873.8125 35161.936 4784.004627 19494.6335 11881.0715 8194.7995 8491.335 34935.825 Ascorbic acid 2893624.987 2619795.626 3047262.188 2136356.808 836539.7661 1107622.266 958813.3161 1567582.578 1551392.977 2318394.251 2504010.049 3330308.085 1538590.837 2121536.663 1775486.574 2763281.569 3153325.856 2055432.406 3378069.744 1861257.547 2087594.99 1815240.435 1501455.141 2770151.719 1785679.263 1083392.067 1271427.926 2080773.551 883676.1446 672892.0371 624113.0223 659271.9323 903619.0641 1498025.608 1044990.393 ATP.1 778.1895 606.639 1364.726 476.522 403.3205 330.704 296.2575 1578.3165 416.416 437.4865 847.165 556.0135 463.639 637.736 544.709 512.413 612.8155 2263.971 611.633 360.0025 324.6705 421.52 582.9505 499.686 466.3285 617.749 251.68 446.248 528.3135 574.5905 434.2415 288.266 440.9845 248.545 463.3915 ATP.2 3791.9425 1166.9535 3750.5095 1712.5845 1670.031 2430.829 2762.13 365.8315 481.9045 1712.1495 740.9985 563.1765 951.093 619.5915 304.3975 3067.585 755.48 1002.0065 3073.6845 6137.8825 1887.5025 1015.1845 982.806 2590.69 830.2485 1063.018 4001.882 3284.1595 3040.5585 179.8115 374.0605 404.3545 573.694 472.461 452.8975 Biotin 13570192.05 9334203.901 18241247.85 7634341.151 4752923.236 5297044.026 7346138.375 6799294.268 8592858.044 19865988.85 15606852.35 9718615.146 11863941.48 5832070.161 11242532.56 5379835.83 5997060.273 6980666.751 8570439.466 5863552.77 4484952.566 6504210.253 9651024.379 6540313.051 6745879.662 3812887.844 12005548.33 8323936.67 12458770.23 8236.1565 7823358.655 3293103.306 12523380.5 5384631.187 5451934.621 C5-DC 11269.643 9264.117 2451.319 7508.699 26359.527 24745.575 51150.6325 14602.4815 3036.459 10663.9165 180622.243 3586.4565 7064.98 8189.435 22235.182 7390.7175 4225.866 22813.2495 92083.864 77737.324 50770.97 7490.7145 13734.33111 21009.7055 1987.0205 2477.294 15251.39 12403.413 10189.3185 379.287 18770.002 5589.381 23996.791 14370.3825 16488.0935 cAMP 31212.009 53279.353 11393.9045 38699.79084 33011.049 30926.54079 23527.786 59369.505 70328.739 68246.596 22729.4445 25462.473 22931.6415 35533.0145 14894.4485 37357.075 23444.318 59413.2995 36338.006 4636.606 14043.3005 6585.404 3555.889 10992.6448 700350.736 12831.4875 16351.7855 43777.2405 56938.44 207.875 12253.791 11267.5235 94460.9545 14968.1525 12079.9845 Cholic acid 12681432.39 17966575.78 13636721.38 5214447.249 10853235.07 18424605.21 8313896.413 7192304.354 7839808.96 26322665.07 18264648.21 19348009.67 15138831.77 32629997.97 21620470.26 14898718.66 76098558.13 59776900.27 10236615.06 55951420.05 17593540.91 16364387.15 75900018.66 11594239.18 4078458.934 13629806.59 8227881.299 7470057.649 5258809.564 14903.2765 5192436.697 1531385.308 14863830.83 5433214.167 18198822.73 CholSO4 25757009.04 21538685.65 14017156.7 34325648.27 13800284.36 10351767.23 10124647.3 10223911.04 9722081.569 26252198.18 31866491.07 18580470 16471867.92 17383581.57 17613408.78 12756495.98 29807837.33 13377753.36 33022443.16 20953292.63 14161072.52 45709713.93 18809566.56 21415981.78 24540122.77 15408432.85 54558017.91 23113596.36 12563961.98 13765.6065 22626622.99 12060643.54 16889023.18 13193653.25 16651054.81 Citraconic acid 234988.405 187735.979 234519.777 125780.4105 97964.5055 110447.2015 187508.839 101037.0315 124895.501 281353.3505 222531.5175 82061.2285 127172.2095 130021.634 137807.413 135140.9165 174742.956 118141.5545 241810.631 161832.701 175622.3945 56800.428 92171.024 148284.998 84840.026 56631.0185 326796.882 503308.571 278841.2795 64860.2965 110250.648 128431.5225 27720.359 144206.7715 208201.0295 Citrate 22705.19 5025.211 110893.865 4371.17 7604.53 11805.826 9836.276 4169.382 3848.812 183359.117 32180.88317 266658.126 3594.624 18238.016 4434.466 5276.268 21043.894 10965.272 60924.0785 4185.466 12391.916 5395.62 7050.692 16397.1745 13296.8545 10496.334 9984.058 27117.0435 170030.9205 2968.932 11273.592 13717.104 5873.2875 6068.878 70339.134 Citrate D4 18502.696 3118.552 81076.099 7383.96 3685.414 3884.188 5370.136 4471.448 3468.528 6841.64 29942.1855 222733.651 7150.02 12044.586 7478.41 5562.502 10438.019 11112.51 6579.258 12902.2045 5532.08 3820.79 4508.754 31561.605 2603.566 4371.14 1333.262 7201.248 10361.934 949.764 22032.018 26539.2735 6994.116 4206.904 42859.1525 CSA 230912.1631 321625.9929 248271.3573 127618.5152 287356.2656 142043.5572 992075.7046 175691.0211 194884.9358 198490.837 76561.64367 167093.3901 429126.2645 355419.8226 137437.0052 184209.2584 186808.3313 239042.6128 206071.7566 241933.8083 117539.2606 128956.9373 261029.3683 200992.1749 200935.6248 172462.2096 221913.8901 197188.1131 194626.8181 397.9485 88849.75227 131706.3931 613739.5562 193849.5733 243073.285 DCA 186730789.9 139221130 194767668.8 69206501.23 78249866 62178780.16 46982566.55 32492849.76 50280092.35 184188824.3 130858220.4 67797757.15 128848040.5 66636735.2 164202920.3 75346485.48 98660372.6 46813987.88 58997508.45 214932247.1 64147958.85 161309726.1 149554959.2 84518259.61 116516888.2 153699981.7 32674066.2 32011660.12 35545291.33 370190.603 14861773.68 7524199.22 22446471.55 59916823.42 102397517.8 DRP 5459.1855 1889.5375 2080.293 4407.253 7098.503 3406.152 614.613 3755.07 25271.6085 23914.07 6249.5675 1341.865 1510.119 5612.8895 3808.3795 6331.4905 1637.4315 5366.6035 8479.5445 1767.381 1763.4675 3148.4125 2627.5655 3998.318 4806.6245 1875.6635 3245.411 19525.2585 14653.0795 1132.056 2815.012 3452.986 39955.057 2197.895 2693.63 E4P.1 595.756 878.092 459.624 N/A 578.036 737.592 745.572 1577.916 1225.568 1395.052 1363.684 1324.736 617.564 939.748 331.008 640.34 401.72 391.716 768.856 396.6 946.448 714.184 394.576 1395.16 336.756 429.968 596.104 1119.896 1586.456 232.128 1265.692 1406.612 1106.908 1250.528 751.16 E4P.2 398.942 1443.8915 2206.718 1101.6755 1014.902 1410.4495 652.32 1610.163 2029.8675 5204.343 1390.141 1845.386 N/A 1468.5325 1135.36 2023.1685 452.2775 1732.5025 14525.1615 1268.803 1292.8585 352.0845 1501.0555 6088.3265 1009.6865 1135.332 824.8535 34086.7095 8921.911 263.6285 814.5505 1240.582 16842.288 651.846 690.729 Fruc-1,6-bP 2331.8285 1881.3305 2401.7605 1549.2575 1364.9715 1562.357 1132.4325 834.5155 1794.5455 6787.6875 3992.4215 1521.667 1268.003 3078.5595 905.52 2286.9925 2054.648 1062.711 5744.7595 1170.1355 1387.968 1340.8505 730.258 2705.9165 2488.255 1416.6 1758.098 4829.529 2903.8805 1184.0535 1685.367 998.993 1874.2895 957.052 2221.7195 Fruc-6-P 1856.9415 11712.905 3653.472 10785.0615 3483.089 1382.8885 1664.765 2937.28 65450.6725 2215.9965 7860.1265 4853.183 2146.703 9567.4215 2535.342 19452.407 3003.484 2758.961 358292.0235 2995.3655 1943.94 2864.2 4714.8805 356768.7455 26583.4705 2858.38 8727.681 518091.273 178363.1715 5649.119 8668.9245 48739.0415 694956.499 2457.6955 9292.861 Fumarate 7713272.083 6860382.106 6412232.366 5707797.435 1905600.599 4028789.581 1863439.308 1684365.868 3426421.972 8266189.508 10017988.82 7979060.701 4299652.036 5697471.483 5302333.955 10134569.24 4707625.694 3333624.602 15560214.71 5522143.683 4778804.504 3981080.055 5700685.022 12561543.84 9245200.209 3633243.577 6113808.825 5929299.366 4171778.59 16221.03246 1858613.895 1186906.209 6274850.259 3358204.047 1893341.947 G3P 1654.026 1028.323 1041.114 1184.944 992.988 1035.494 782.3005 615.3065 5561.7805 17476.17951 2421.7335 567.42 533.374 1098.7965 1557.442 877.6085 490.64 885.5065 4190.5295 804.54 1277.8885 530.614 699.0565 964.6065 1025.9385 1044.465185 929.2845 1778.584669 8632.1815 747.2395 1268.1815 651.8095 11141.444 705.019 689.505 GAA 1955089.937 1364133.937 1657423.063 2227806.549 765762.5885 2655527.451 821548.36 1718754.285 572082.054 2712578.91 4703740.575 5708631.808 820317.136 1140893.154 992090.716 4246567.045 7966971.994 4963489.694 7301531.323 6928635.175 7343225.347 2170137.578 3673196.411 5525574.503 2098414.994 3223482.46 1220915.293 776265.2535 755033.365 1133.305 536407.381 521077 654176.2911 547766.487 411412.8695 Glucose 260.307 187.2245 116.3275 245.21 166.8575 117.4125 384.6945 120.5745 240.808 223.975 314.433 252.991 443.331 175.894 293.074 180.1255 225.432 257.672 229.5395 456.258 794.809 402.1785 486.2815 120.5745 335.2185 176.328 281.914 245.21 N/A N/A 116.6065 N/A 189.6115 188.8365 640.305 Glucose 6-phosphate 3213.526 1964.384271 3441.707853 10200.427 1186.1555 1693.614 1451.1055 3395.403131 50031.8035 6639.025 5474.826156 1743.634 1400.3985 4356.8485 1800.817 23047.5305 1870.0355 1866.1285 230236.8306 1987.2975 2570.8135 1493.399 3006.801 220694.4035 11738.3895 2270.799 7238.0165 491748.7933 137113.9745 937.9695 14919.92448 32719.203 639507.149 5263.742 6286.54 Glyceraldehyde 380215.357 83877.65348 504477.94 238896.79 268378.2255 182269.548 316518.1195 116350.343 117848.2855 525317.6935 500368.8695 671874.5235 339923.726 686051.799 356256.2675 346798.451 451901 430457.3975 562768.613 639946.0705 810450.621 460519.1411 904912.1955 553891.434 805312.6145 604947.0565 529412.783 384035.658 510871.4455 1609.0525 279956.3315 147446.7365 222275.9015 293753.667 1256856.348 GSSG 1819.8485 595.276 383.145 1144.941 1362.752 869.754 1230.468 485.517 1440.088 7631.7085 842.5745 876.1045 869.846 1178.6525 778.3835 5765.894 453.902 756.4325 5359.369 646.5265 879.5415 1122.5255 1539.009 1126.5435 747.094 529.78 811.4 940.1825 9291.9595 1611.6475 790.957 1676.6385 80305.8725 580.002 787.377 GSSH 448.4035 398.846 765.5585 172.158 453.854 761.3635 304.92 854.1275 941.9845 977.6465 N/A 532.806 714.24 707.0935 288.498 1135.4355 398.005 997.201 1117.1645 218.666 359.184 221.69 693.2555 658.3825 N/A 231.868 832.95 413.151 5162.0045 454.3 233.352 834.162 630.3515 314.944 1731.335 HCA 37987.8265 40715.305 33043.305 11164.7505 16084.3135 14785.316 14104.193 11171.061 15903.104 42420.674 60647.2105 72104.1875 44314.3485 37093.5435 35093.3215 56235.5065 45037.0445 41066.7305 97965.173 72788.31 38878.4255 28232.903 43312.449 161413.4875 78856.3225 32880.447 55849.5885 65792.273 33869.749 464.2945 17958.505 26014.8495 26760.48 50767.165 41954.257 HICA 54542.85552 14075.9795 65873.546 32988.0805 23214.295 24568.4955 42683.3835 11503.22338 16479.3485 21885.836 35984.90719 73954.0685 38366.066 68162.903 43086.30707 46071.285 55396.8495 45581.0825 69784.158 84361.942 85735.8605 70382.61 87173.94 80986.403 100222.3825 70819.1965 47723.4935 40039.1125 85821.3815 2946.494 25244.139 16547.9795 26555.389 46896.3745 161463.391 Homogentisate 109637.8249 137729.8045 95283.88495 25562.9345 70383.12458 39592.548 57113.0455 88282.30886 47512.63968 127033.9829 95322.61411 49317.0595 25813.763 33931.126 34809.00565 70188.59406 35720.08139 38364.15354 108019.9825 77183.85783 38620.06821 30603.28185 20217.27003 75615.6645 39599.379 60014.23294 143393.3769 123587.6791 71381.97286 1701.051 31133.66704 35549.6845 46771.25207 45020.2705 38275.27983 Inosine 111906649.3 35111173.91 257712122.2 39141612.75 30523451.94 21065485.46 49547133.21 28269603.25 114310954.4 101663787.5 34376723.47 18632999.23 15881513.32 42179565.05 3772817.199 5750560.025 5571106.209 3458176.047 54685308.32 7254786.848 8577869.397 23644290.05 28157514.27 32524574.62 11735258.18 4156715.646 113252031.2 76419330.74 238580003.7 52210.0805 59708779.5 36457844.47 233375641.9 41539042.8 44851868.82 Isocitrate 12062.7265 35968.8835 6537.6665 43967.91588 72246.82596 33359.7535 9793.756 27574.7585 162016.529 81380.96 38135.946 19004.343 4821.4285 30386.56156 13575.5215 18462.65 14033.794 41750.98774 39011.53589 2439.4045 114379.1489 18738.976 98474.22953 124763.615 11003.3795 72911.40428 184923.8611 12227.3465 562816.4918 569.256 6937.502 18865.7165 32607.7255 29488.34941 10833.396 Kynurenic acid 22425636.64 18094626.14 26827095.31 12165227.18 6660320.094 8938204.243 6862100.42 6999355.968 5601910.194 20877491.34 25177928.2 23397500.8 10226472.28 7895096.444 12371038.47 16316686.71 15953001.76 11331036.79 24497211.27 18021378.83 12555430.27 10981858.64 10861421.13 21079971.86 15056636.56 8182101.87 12285966.82 11630685.1 9292656.986 8783.9295 8159473.406 9157233.736 3765298.974 9442273.051 7746475.531 Kynurenine 33515.2505 38126.1855 39242.2195 18705.3505 27331.8955 13277.22629 27550.431 21314.603 30594.8485 153103.7015 37271.7585 22239.431 17099.95721 23431.6275 15595.6485 13440.252 32034.5507 52043.209 109103.7035 21851.217 34954.83 9323.0525 34128.2255 27215.889 16947.532 22507.5285 42351.7235 15831.8615 70628.2545 211.5445 13718.539 14020.241 81957.6625 16843.5745 15883.9355 Lactate 22485920.39 27709302.77 6891294.13 8052215.193 22445225.68 6452621.239 2374047.662 4893306.523 59982617.37 113127768.6 41073143.28 7937390.169 8127815.591 28043710.73 7254995.068 9903338.017 11705452.89 11793344.34 102896092.1 5077703.272 23301722.32 7816684.432 43058496.09 18775894.67 6182265.906 17669048.8 49265715.85 13359835.75 168149738.8 4588.274 9170121.469 18695514.61 145450688.8 20860370.08 18073439.26 Lactulose 4891012.615 2987976.11 26730528.61 5426665.863 1748317.236 2085468.869 2328158.927 1499929.589 2763082.868 2325530.762 2682283.76 12888936.79 6146759.832 15738011.97 10610587.56 5440210.631 6727189.597 3116244.792 15908322.18 6308019.951 3916899.513 14528983.94 5088551.755 7306867.694 14027435.51 7419353.538 497911.0445 607363.8265 615825.7835 11576.422 1141132.822 3450908.13 1269606.017 5784256.682 4106977.326 Malate 16292492.45 7857067.852 12760349.09 13742403.51 2937199.597 3935156.195 3861945.608 3274776.329 18800902.28 12773720.47 57005092.97 28601297.49 12714825.49 63295173.79 19445829.62 43388334.21 21592407.55 11727601.09 85212647.05 13063362.5 17843035.53 14963528.35 14795612.99 82273406.53 89902276.89 14277918.96 25028821.54 37280658.82 32742719.25 199661.475 5122358.997 4290638.679 75359960.12 14336402.5 7264603.92 Malonate 237102.678 565883.5302 1297712.825 2059802.877 450016.534 375127.667 185530.0155 607077.8459 2654317.011 6600175.195 1371738.603 1509401.727 694599.4762 1448175.217 827606.4264 472835.4492 1964519.237 897850.345 6380386.241 1076581.77 1178516.138 413077.4725 1192558.806 1411498.893 1626210.389 1999814.164 915999.48 898887.7507 5337572.331 4544.679 573481.3445 837127.3896 5967019.633 927045.1775 966223.6695 Malonyl-coA 1783.736 1007.825 1056.7415 215.84 435.679 N/A 258.2435 N/A N/A 4484.1785 891.5115 N/A 437.169 461.4445 268.559 N/A N/A 399.011 1106.6355 1428.593 896.6755 185.2425 533.7115 736.5195 437.3795 N/A 653.8145 682.8265 438.209 N/A N/A 616.9785 1096.6685 262.6405 544.3035 MEV 2807349.73 2179274.058 3676355.213 2128478.797 1318801.303 2100174.913 2042888.638 1221288.65 454785.946 1482195.026 3698937.189 2801275.149 2053631.242 1899035.197 1824987.774 1640897.282 1595448.468 1422457.814 1823418.975 2236696.275 1658849.358 984677.4635 2175605.001 1429444.279 1876721.36 1412193.689 2306288.389 830325.5005 704470.1095 6366.1575 2254207.818 870498.521 573386.3225 860103.891 1252554.512 N-Acetyl-L-Ala 15466939.66 11502950.77 3560984.524 2848260.951 8126482.935 851047.0965 1210733.992 1651820.962 32918255.97 59484795.32 13280601.78 3680074.002 2317789.671 7481389.562 3245756.452 2732874.675 2532297.116 1419689.902 58664014.44 3783093.098 12605130.35 2650121.455 16302026.3 7004404.293 1926077.53 11395610.1 22790682.22 5176978.476 78719814.43 4680.4295 3094440.215 8215669.585 66448662.85 5148703.972 5344724.189 NAD 75683.409 169052.8115 50585.13284 22385.2555 16355.463 34124.589 17765.4075 37300.451 20686.103 57809.789 59428.3585 39411.882 29589.91 21675.2025 29575.678 24539.317 23398.961 28383.441 32274.1615 24015.2765 16511.4315 9804.686 20753.432 25783.4875 13793.59536 13115.6665 31083.746 41621.922 20440.5235 N/A 14044.507 1618.096755 14045.6635 8656.262 5402.693 NADH 14721.0125 32734.0665 10232.171 5023.3705 3460.925 7177.047 3723.813 8848 4834.5425 7682.674 15429.616 10794.389 5914.3615 3039.9625 4625.9605 4276.134 4058.198 6112.771 3133.217 6643.5485 2408.5575 2410.535 3143.7345 2261.751 2187.033 2529.0075 4133.4835 4240.753 3607.885 250.733 1563.6715 1589.508 2256.191 3217.1605 1012.063 NADP.1 N/A 182.3875 N/A 316.257 N/A N/A 188.1655 N/A 177.141 N/A N/A 199.056 307.62 N/A N/A N/A N/A 258.361 N/A 120.843 N/A N/A 130.2825 N/A 223.5 N/A N/A 522.081 356.004 N/A N/A N/A N/A N/A N/A NADP.2 N/A 331.517 198.52 N/A N/A N/A 305.332 254.467 494.765 N/A N/A 185.771 N/A N/A N/A 126.962 N/A 351.062 429.1025 N/A N/A 371.197 N/A N/A 305.9205 N/A 248.76 524.7675 193.23 N/A N/A 197.92 N/A N/A 181.9785 NADPH 138.3855 N/A 217.171 N/A N/A N/A N/A N/A N/A N/A N/A 251.5795 217.016 N/A N/A N/A N/A 350.1405 N/A N/A N/A 338.5285 268.32 N/A 218.1775 N/A 365.154 638.089 N/A 288.15 N/A N/A 330.7375 N/A N/A N-carbomyl-aspartate 4460115.098 7125863.122 3883630.816 3448561.689 2065087.033 3004239.698 315195.225 231095.2035 107919.7821 4216404.621 2975088.63 5789158.715 4744014.922 3369565.609 3906969.232 3382206.631 6146837.258 4257366.979 8353476.821 5864031.387 6717036.277 1683959.963 2633677.314 5990951.447 4218604.906 3070881.374 2542050.247 2637938.167 1431260.558 883.551 153615.6795 157555.717 563047.3155 152269.468 127445.6645 Niacinamide 1327.4105 3058.5585 726.0625 1162.9365 393.1455 364.4345 2133.601 3198.6255 10763.7735 3073.189 397.6575 1409.135 878.4485 336.036 1126.614 416.939 637.906 884.2345 1845.2645 951.937 368.5555 378.351 1158.578 723.992 530.486 635.016 606.397 432.2835 7826.909 465.8005 409.1175 1296.2135 29535.837 304.856 758.581 Nicotinate 1435091.162 617560.0413 1224217.316 702416.645 421107.4145 631874.91 494274.2415 590313.5335 478669.7525 1217079.672 1527809.794 632286.63 1184114.006 928135.0595 1050091.405 1349219.185 651670.4029 1106209.044 1077836.974 614453.1711 430074.0489 1157958.243 1115681.666 2286442.894 763475.728 591232.8765 2503084.406 1871220.357 504380.815 5449.824 819315.18 393932.7585 471378.3225 958756.903 1149368.383 Oxaloacetate 1805375.479 1076239.717 1366238.656 613070.8165 554877.348 589668.757 592783.983 510543.883 653725.563 1353103.263 1071617.016 727891.613 427027.7265 541740.8635 386432.0875 691841.6365 726299.611 789929.7185 803123.719 667641.2285 360645.3095 316546.7995 709366.2295 863317.6685 1156274.494 728200.7185 981406.5065 547422.148 785668.627 69802.8365 292176.079 182541.885 597829.57 606728.176 767995.053 p-AB 1807580.13 776434.7895 1798170.837 797517.6385 491733.087 519575.807 414419.5425 402018.663 1029836.7 4250773.478 2372485.634 2085922.629 1315975.283 1039506.859 1555374.968 1913653.278 1938955.137 1011753.695 3926627.497 2122316.055 2063730.05 1561667.483 2178470.028 2855414.218 2466806.012 2289845.183 1805844.019 896398.41 1952487.903 1953.1545 736959.5775 630345.5915 2214003.373 828891.526 1087660.423 PEP 8145.898 9789.864 6163.527 8767.486 2715.017 4081.545 4396.8315 3213.666 9894.19 20958.3335 50781.499 4129.7675 2616.271 4644.0455 2688.2085 58874.7275 1695.6425 4026.326 22863.169 1144.0205 3108.405 2058.894 2811.455 14722.0345 8947.2655 922.0965 5234.058 70275.5615 1293.654 3154.703 3562.595 371.6815 6931.1025 8319.65 4360.6055 Phe-d8 2342566.916 2331848.099 2379445.932 3774077.543 4082834.865 4025538.81 3873459.845 3797007.382 3822846.206 2312248.071 2107001.208 2541418.163 3983305.426 3747904.077 4076341.692 3610536.312 3454313.944 3510669.007 2236182.272 3601449.839 4296400.337 4272681.639 3884218.521 4341421.135 4009433.443 3955686.362 2241212.456 2252627.991 2394371.414 3563.908 4027300.375 4081047.241 4009858.315 4162305.677 3830704.588 Phenyllactic 1382372.537 1183605.564 1345772.487 580575.0695 290973.031 281580.064 202802.234 45109.827 87679.716 636042.7275 515682.005 588994.1285 477204.2885 431822.7775 1641510.114 1005112.257 1245465.532 177088.633 1754781.984 541653.943 1086073.987 318500.938 291817.566 1213138.19 545717.198 825932.5475 327682.8065 891489.464 167057.4615 10808.982 446017.3535 331761.015 110678.521 106769.579 421519.657 Phenylpyruvate 204976.389 50370.48365 371235.942 280303.6535 99816.908 141971.255 189007.215 104094.345 47554.71162 754399.725 384678.205 381412.0465 191190.0515 406211.0125 250491.2402 261878.9425 724125.521 244107.417 809070.9745 1193347.195 805477.3243 446607.277 1565352.187 945791.154 4059391.853 3827511.643 1937858.423 1104208.259 571531.297 1081.035 1526468.306 800412.8674 298889.4247 661861.912 1162076.945 Phytonadione 78928.0035 100933.215 83749.505 65118.03405 114761.28 43910.3355 36116.0965 41659.2695 24872.27123 37724.90122 57957.604 59903.4655 17641.1375 13937.97216 137249.7953 44795.1455 33554.6875 24346.3855 47585.55135 128440.521 123708.0496 543604.8178 74165.69476 60823.843 89242.8095 22700.023 245741.4421 50831.44 16338.8025 456.7985 31359.68043 16545.11599 97381.317 16988.56631 25198.901 Prephenate 140453.1365 49245.9815 8888.5015 2516.223 10004.8335 4310.7945 6550.0555 3408.808 9808.378 23250.7085 10387.3525 4562.9945 3944.136978 7938.3855 3289.6055 7825.1565 5748.8275 4705.755 20061.56827 11658.284 10881.6205 2836.197 7301.063644 4550.2955 3325.2345 7387.849 35036.0745 4591.9155 65478.898 3191.3295 8188.238 23461.55 45579.3 4942.565 8604.9675 Pyroglutamic acid 271736.504 208862.526 390680.605 114046.563 59412.452 65785.4605 34889.558 69511.9295 55385.248 281206.3285 312151.897 208070.0365 90002.6065 76356.017 99013.0045 178481.305 122812.1925 113006.2165 219086.14 157312 103570.3245 122152.6248 113571.5155 234248.962 150983.7055 80546.2565 149899.543 120114.2854 101159.3675 250.075 83518.69 69457.268 58173.153 71966.4055 75775.877 Pyrophosphate 605833.3245 573065.445 562893.4565 707165.188 612243.8246 610916.8162 617910.5554 658479.7334 630141.6375 626500.605 598088.456 557621.8922 609149.2429 681144.4895 633228.9005 696078.4109 617989.3746 620110.3535 692065.149 583218.5341 659477.2044 637544.8175 638275.8011 729750.684 652086.0557 612380.0998 613200.0797 677411.838 575630.5825 703935.7935 625122.5086 645462.4623 691952.6764 630108.579 649683.4705 Pyruvate 116771.0661 72458.4715 296862.3755 158131.6392 50498.99418 71904.67803 60620.55065 34357.19654 114036.3549 524700.8136 358748.268 188726.0295 115352.1258 131688.5625 208967.2155 219421.5852 313693.356 147597.0409 962289.3945 483555.0415 305894.2214 356355.3305 859674.3852 841687.8985 781720.7656 1295097.617 791804.5985 438793.993 407059.5215 2517.653 384544.684 114158.6535 156724.4571 195186.2825 288487.4762 Quercetin 1927 2506.843 4383.919 2285.5165 1583.936 3433.34 8569.215 3133.015 1476.333 7884.464 5002.489 4033.6115 2485.0135 7154.944 2419.7875 2256.049 2011.471 5012.714 1411.8195 10770.4595 7180.9655 3839.7345 16254.669 5724.509 9046.695 7767.1535 4129.337 5260.8315 8878.0575 623.695 6078.116 4995.2635 4044.1315 10050.052 18412.779 R5'MP.1 279612.9975 48674.978 35158.0345 6607.7405 3776.449 12246.981 6382.4285 5553.3945 19096.26421 189437.742 185838.644 14680.6455 18041.0745 17862.8325 4357.9115 38886.7135 10156.663 9613.0375 107908.4244 23438.7055 7429.799 6318.636 14475.0325 136032.6785 46688.956 12129.2925 51427.5565 177539.9695 21444.9525 1250.333 16349.2305 18060.633 34559.1245 14099.442 18961.55 R5'MP.2 165899.092 547156.602 544305.3075 512763.295 451630.2395 344237.869 353061.15 288221.7155 284672.829 183142.7875 608212.4645 411991.4415 237395.976 272548.6095 287344.899 152385.5715 327123.1095 271633.5765 129797.714 515509.843 291051.5345 13678.7595 203816.643 77388.83867 180771.1185 257454.2573 68586.6315 160451.1685 235720.702 1110.985 216863.1055 375169.2685 208554.6505 241486.541 223206.3345 Rhamnose.1 10143.479 10825.4 7984.478 6396.1905 13964.368 4337.613 9895.9225 4356.0625 28652.9305 15616.5875 8165.7995 9342.4785 7222.432 12762.269 11482.523 8211.1625 12536.6425 8302.41 15220.219 11464.091 29217.8615 11103.0805 16677.735 7540.324 6287.772 21482.194 4597.1745 6954.2135 73517.448 3324.8765 6450.4875 9206.5935 28908.9775 8644.0135 19361.355 Rhamnose.2 11823.3355 10397.3285 12498.0145 10208.4585 9165.652 6854.4595 6527.1805 6173.004 10560.35 4176.89 22060.5515 14866.775 8409.843 10855.0705 10844.086 10960.2635 15262.2725 7690.9505 12016.09 22780.529 16095.3255 13520.6505 14487.442 15786.0325 9299.409 14444.0995 12534.2895 10099.458 17606.41476 1185.7875 10969.1625 4977.804 11305.505 6487.361 19943.6295 Saccharopine 121178.2354 77874.072 76677.386 171977.3134 97431.214 81525.024 82281.966 120314.342 324709.2205 78952.10885 127002.0043 68393.122 91712.3775 146221.251 81068.74 169915.1908 82431.3775 105237.6054 154953.4908 88308.616 81336.276 92150.6 256819.691 401422.5956 124956.229 308241.1088 394975.2651 115635.986 77152.158 390519.8864 81213.60381 90706.45032 179872.2937 89095.094 108125.6908 S-adenosyl-L-homocysteine 121975.898 134513.771 89171.77 50247.2705 54361.6205 38959.063 51148.4695 44345.425 510876.739 480779.438 102502.427 82276.8055 41473.5305 50655.602 40777.291 58737.95 51340.2015 32900.649 256079.169 40406.4985 67436.673 22330.111 73629.32 74449.3235 30178.9785 85667.8455 144510.074 23256.0075 348502.113 532.1788735 31773.0565 32519.6145 899609.122 24510.116 22131.257 Succinate 50751484.44 49004494.12 53821775.1 26524475.3 20574292.59 24274773.33 18172997.18 34722258.66 34341650.25 121005732.1 159441293.6 72422504.09 83303182.37 47254861.01 67971875.67 76749062.09 55747392.33 156549510.7 70451444.83 38813896.68 31104425.62 24506646.7 32543637.95 65479280.02 44686243.77 26146947.04 52290645.88 42939338.52 37409891.45 855249.583 13831524.87 19219870.63 41361928.65 20260154.02 13695582.53 Sucralose 1608.198 2223.573 543.903 2333.67 933.507 1582.6585 505.0525 1055.839 695.841 1255.813 1875.2095 1708.6745 2156.1025 513.3765 1409.6405 1926.674 1604.5495 1178.987 1717.7825 1156.692 1822.5445 1742.232 1785.1675 1019.646 4240.0115 1241.841 2723.964 1544.802 2260.959 268.176 1186.584 634.9345 2072.9105 1482.6875 2488.5815 Taurine 55220159.64 60333159.04 29943950.67 31683082.14 52308650.38 39137385.55 27472061.08 31144851.42 86485346.79 156340737.7 88527846.01 42162540.21 118146378.5 126710654.9 36101979.75 40518963.4 36729743.24 110317153.1 115197632 58891466.15 37051946.97 16429543.11 70696970.53 24467404.33 9495952.192 36828780.91 70506951.19 15260835.77 192751564.4 4995.5285 8148954.175 10715146.16 159387808.8 44478327.7 93152761.22 TDCA 1178901.239 1313681.581 671469.1211 310871.5367 458112.8765 322140.835 309107.4063 218366.2535 293200.2915 2080198.657 914467.5385 697027.395 908896.6425 647863.5875 591078.3161 539627.6382 505513.4146 603047.216 635622.163 985158.611 404858.7113 489353.941 752248.5264 489999.9754 243362.4079 452359.2985 669008.2359 391994.4103 604359.9156 1103.341603 225520.1216 102885.6942 469380.6102 307366.643 1016277.139 Thymidine 3256526.84 2137461.713 4051802.246 2384834.932 1451509.705 1745741.618 1741504.462 1794506.192 1211781.223 3614796.37 4649778.906 4052026.769 2786082.81 1810957.96 2620705.453 2345295.063 3046510.859 2920922.603 1896097.737 2799766.276 2090686.185 1853884.553 2209149.784 2076712.523 2079873.395 1585684.033 2161057.043 1610645.32 1389032.275 3709.073 1819236.286 1191145.715 918665.078 1764374.887 1006240.173 Thymine-d4 437528.0537 472735.8195 498294.437 1135612.635 1185471.887 1121830.631 1065239.893 1064639.161 972207.64 520915.822 578109.376 546602.2645 1208719.05 1028489.743 1123297.817 994390.019 999855.783 949112.162 516567.522 807782.2007 1255012.917 1480197.076 993246.5828 1327688.016 1127676.901 1213581.864 522017.8945 494324.3595 568991.3035 2220.9295 1155093.998 1239348.531 1283299.49 1198553.766 901841.327 TPP 19898.483 3670.015 6891.535604 973.677 849.4365 651.9575 441.508 1526.803 4267.722 80256.284 45671.6 1201.2535 1169.6765 2233.0805 1249.205 13072.209 651.57 1024.351 62445.613 1160.726 1867.643 1240.851 1354.851 60250.042 21994.633 759.841 9090.583 28453.8805 5778.6895 268.149 1385.419 1153.3115 14795.3145 573.8335 2274.468 Tropisetron 447627.005 592506.1335 131709.5835 236573.3445 219198.5065 146564.9025 105644.0055 95651.74 142471.422 168771.6155 157473.102 160794.4025 124139.0325 218272.556 99044.7055 92762.52 96947.2685 153879.3725 972185.478 97808.5465 180741.9895 122935.918 122877.9205 97530.0665 79973.68 87411.9175 532533.4575 286620.772 525874.5665 1132.147019 125690.703 99739.583 161803.698 125573.709 258423.9175 U5'dP 3533.794 4986.432 1452.748 1711.446 1120.878 1764.532 383.328 1882.672 2893.528 16992.1365 3149.278 3152.754 1636.558 1161.754 1133.836 2079.154 802.824 2693.636 4644.86 798.006 351.208 446.798 802.692 5242.424 960.52 270.226 2432.386 5851.296 7272.782 N/A 1283.26 748.462 12797.422 1108.382 1545.654 UDP-N-acetyl-glucosamine 3958.178 3289.7645 5666.028 3650.9925 2187.2665 2517.1795 2037.556 2952.765 4522.573 21894.394 25059.0135 2487.041 1908.1935 1408.8305 918.4705 2464.7315 2136.9265 3223.4185 10083.919 2587.3605 1630.5935 885.674 3789.9705 4128.8495 1847.927 1382.25 2428.879 3084.83 5290.4265 285.4985 2106.438 1652.154 11697.8265 1155.657 4181.3525 Uracil 6866778.409 2912421.154 11784631.36 4038420.923 2095023.408 1983347.063 1525945.62 2187292.821 4431120.031 26702364.36 17908436.35 12449775.9 5108331.834 5972207.568 6573769.269 11772123.35 11571252.94 6155361.957 25756413.28 13813143.32 11514254.28 11294919.12 12392470.44 26494697.08 18301335.99 15453247.79 11244632.61 5043804.334 9179344.083 5582.2155 6064520.721 5519830.582 12745861.27 4152371.515 6874727.19 Urate 595289.8043 325776.7003 578689.1584 225351.0464 88160.53483 50785.8155 44638.7645 102119.6825 308190.7412 1588205.227 308984.6558 838205.2252 69510.568 346591.8445 86933.268 143224.9045 108555.6415 54065.215 1551724.13 215447.4938 204628.4817 75721.2095 121031.7497 545048.2527 199635.1832 76939.65302 560045.9735 687743.4586 1763111.856 1296.4345 63935.94522 241741.4055 1142429.092 89385.396 297165.6805 Ureidopropionic acid 213192.0455 159478.478 53113.3405 42208.644 114173.624 14616.453 16174.3115 19061.738 466598.177 922327.445 207556.9565 56460.0515 35407.926 104834.65 45611.615 42341.0955 38522.2325 17821.4945 904259.6775 54016.7535 195998.3035 30811.0065 232476.8965 107353.1593 24887.977 167437.2355 354955.8155 75796.1625 1202384.626 359.5660978 46723.073 110232.14 1010819.287 80915.084 82930.528 Uridine 15057785.54 9613521.684 19033975.07 7785689.382 4922695.999 5414422.584 7626780.884 7150169.059 8989624.39 21049707.09 17312901.41 9888847.806 12503710.94 6275106.469 11830817.86 5449991.835 6007400.813 7397503.103 8842969.382 5980542.401 4578595.925 6601721.426 10170353.73 6833021.728 7223859.963 3851156.325 12526895.75 9123591.312 12986966.36 8506.7605 7950138.829 3474824.021 12132216.95 5491684.974 5816008.095 XAN 83667.2785 78750.70605 82297.437 66052.123 34565.9085 25834.63422 42043.928 44109.791 46440.89882 70932.7 182372.0925 89953.4145 113998.3785 103996.099 82491.2975 84005 88924.238 102123.299 65808.507 91191.684 84413.27861 28092.4255 116167.9415 103305.042 201768.584 142936.304 122290.3082 39084.4161 39681.6605 4221.294562 49394.295 57585.184 54053.968 46990.7305 75247.088 Xanthosine 2238452.19 1422149.498 2739143.97 2226062.836 843494.0545 682028.0755 500181.658 1309181.83 3584426.225 7320229.891 1893759.025 698927.9575 624782.569 1343679.444 351242.7145 1096035.577 597290.1725 659232.8055 3953938.551 1203296.407 983024.964 1950871.493 2215966.151 4753365.451 939641.277 928669.5355 2379658.312 1459443.342 2537011.505 1514.2115 649995.9302 935541.8395 2743063.977 1034605.03 1504514.077 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet Name/Standardized name PubChem identifiers KEGG 2H2MB 2-Hydroxy-2-methyl-butyric acid - - 2-HG 2-Hydroxyglutaric acid - C02630 2-IPM 2-Isopropylmalic acid - C02504 2-KH 2-Ketohexanoate - C00902 2-MAA Methylacetoacetic acid 7757 - 2-OB 3-Methyl pyruvic acid 58 - 3M2OB Ketoisovaleric acid - C00141 2-OD Oxoadipic acid 71 - 3H3MGcoA 3-Hydroxy-3-methylglutaryl-CoA 91506 - 3-HB 3-Hydroxybutyric acid - C01089 3-HK Hydroxykynurenine - C03227 3-PG 3-Phosphoglyceric acid - C00597 4-HPA 4-Hydroxyphenyl acetate 96009 - 5-HIAA 5-Hydroxyindoleacetic acid - C05635 ACP Acetylphosphate 186 - ADP.1 ADP - C00008 ADP.2 ADP - C00008 Allantoin Allantoin - C01551 AAD alpha-Aminoadipic acid - C00956 Ascorbic acid Vitamin C - C00072 ATP.1 ATP - C00002 ATP.2 ATP - C00002 CholSO4 Cholesterol sulfate - C18043 cAMP 3',5' cyclic AMP - C00575 Cholic acid Cholic acid 221493 - Citraconic acid Citraconic acid 643798 - DCA Deoxycholic acid - C04483 DRP Deoxyribose 5-phosphate 45934311 - Fruc-1,6-bP Fructose 1,6-bisphosphate - C00354 Fruc-6-P Fructose 6-phosphate - C00085 GSSG Oxidized glutathione - C00127 GSSH Glutathione - C00051 Glyceraldehyde Glyceraldehyde - C02154 GAA Guanidoacetic acid - C00581 HCA Homocysteic acid - C16511 Homogentisate Homogentisate 780 - HICA 2-Hydroxyisocaproic acid - - Isocitrate Isocitric acid - C00311 Kynurenic acid Kynurenic acid - C01717 Kynurenine Kynurenine - C00328 Malate D-Malic acid - C00149 Fumarate Fumaric acid - C00122 Malonyl-coA Malonyl-CoA - C00083 MEV Mevalonic acid - C02104 N-Acetyl-L-Ala N-Acetylalanine - - Nicotinate Nicotinic acid - C00253 p-AB p-Aminobenzoic acid - C00568 Phenyllactic Phenyllactic acid - C01479 Phenylpyruvate Phosphoenolpyruvic acid - C00074 PEP Prephenic acid - C00254 Pyroglutamic acid Pyroglutamic acid - C01879 Pyrophosphate Pyrophosphate - C00013 Pyruvate Pyruvate 1060 - Saccharopine Saccharopine - C00449 S-adenosyl-L-homocysteine S-Adenosylhomocysteine - C00021 Taurine Taurine 1123 - TDCA Taurodeoxycholic acid - C05463 TPP Thiamine diphosphate - C00068 Thymidine Thymidine - C00214 Uracil Uracil - C00106 Uridine Uridine 6029 - Xanthosine Xanthosine - C01762 XAN Xanthurenic acid - C02470 Acetyl-coA Acetyl-CoA - C00024 AMP.1 AMP - C00020 AMP.2 AMP - C00020 AA 2-Aminobenzoic acid - C00108 Arginosuccinate Argininosuccinic acid - C03406 Biotin Biotin - C00120 E4P.1 Erythrose 4-phosphate - C00279 E4P.2 Erythrose 4-phosphate - C00279 G3P Glyceraldehyde 3-phosphate - C00661 C5-DC CAR DC5:0 - - Inosine Inosine - C00294 Malonate Malonic acid - C00383 N-carbomyl-aspartate Carbamoylaspartate - C00438 Niacinamide Niacinamide - C00153 Oxaloacetate Oxaloacetic acid - C00036 Phytonadione Phylloquinone 5284607 - Prephenate Prephenic acid 1028 - Quercetin Quercetin 5280343 - R5'MP.1 FMN - C00061 R5'MP.2 FMN - C00061 Tropisetron Tropisetron 57174031 - UDP-N-acetyl-glucosamine UDP-N-acetylglucosamine - - Ureidopropionic acid Ureidopropionic acid - C02642 U5'dP UDP - C00015 Phe-d8 - - - Thymine-d4 - - - Glucose 6-phosphate Glucose 6-phosphate - C00092 Succinate Succinic acid - C00042 Lactate Lactic acid - C00186 CSA - - - NADH NADH - C00004 Glucose Glucose - C00031 NAD NAD+ - C00857 NADPH NADPH - C00005 NADP.1 NADP+ - C00006 NADP.2 NADP+ - C00006 Citrate D4 - - - Citrate Citric acid - C00158 3_HAA 3-Hydroxyanthranilic acid 86 - Lactulose Lactulose - C07064 Sucralose Sucralose 71485 - Rhamnose.1 Rhamnose 25310 - Rhamnose.2 Rhamnose 25310 - Urate Uric acid 1175 - 3HBUSE 3-Hydroxybutyric acid - C01089 METABOLITES_END #END