#METABOLOMICS WORKBENCH renpingl_20240322_235012 DATATRACK_ID:4735 STUDY_ID:ST003252 ANALYSIS_ID:AN005328 PROJECT_ID:PR002019 VERSION 1 CREATED_ON June 11, 2024, 12:37 pm #PROJECT PR:PROJECT_TITLE 4-diet 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 cardiac 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 cardiac mice 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:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 35 ST:NUM_MALES 35 ST:PHONE +61432953638 #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:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C59.1_heart.mzML SUBJECT_SAMPLE_FACTORS - C59.2 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C59.2_heart.mzML SUBJECT_SAMPLE_FACTORS - C59.3 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C59.3_heart.mzML SUBJECT_SAMPLE_FACTORS - C61.1 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C61.1_heart.mzML SUBJECT_SAMPLE_FACTORS - C61.2 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C61.2_heart.mzML SUBJECT_SAMPLE_FACTORS - C61.3 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C61.3_heart.mzML SUBJECT_SAMPLE_FACTORS - C62.1 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C62.1_heart.mzML SUBJECT_SAMPLE_FACTORS - C62.2 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C62.2_heart.mzML SUBJECT_SAMPLE_FACTORS - C62.3 Sample source:heart tissue | Diet:chow RAW_FILE_NAME(Raw file name)=C62.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HF58.1 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF58.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HF58.2 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF58.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HF58.3 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF58.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HF65.1 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF65.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HF65.2 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF65.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HF65.3 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF65.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HF67.1 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF67.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HF67.2 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF67.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HF67.3 Sample source:heart tissue | Diet:hfd RAW_FILE_NAME(Raw file name)=HF67.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS56.1 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS56.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS56.2 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS56.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS56.3 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS56.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS57.1 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS57.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS57.3 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS57.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS66.1 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS66.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS66.2 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS66.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HFHS66.3 Sample source:heart tissue | Diet:hfhsd RAW_FILE_NAME(Raw file name)=HFHS66.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HS60.1 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS60.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HS60.2 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS60.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HS60.3 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS60.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HS63.1 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS63.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HS63.2 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS63.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HS63.3 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS63.3_heart.mzML SUBJECT_SAMPLE_FACTORS - HS64.1 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS64.1_heart.mzML SUBJECT_SAMPLE_FACTORS - HS64.2 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS64.2_heart.mzML SUBJECT_SAMPLE_FACTORS - HS64.3 Sample source:heart tissue | Diet:hsd RAW_FILE_NAME(Raw file name)=HS64.3_heart.mzML #COLLECTION CO:COLLECTION_SUMMARY Mouse cardiac samples were collected at the end of the experimental design CO:COLLECTION_SUMMARY (after 30-weeks on the diet) during the cull. These hearts were immediately CO:COLLECTION_SUMMARY clamped with metal clamps and snap-frozen in liquid nitrogen and stored in CO:COLLECTION_SUMMARY -80C until further analysis. This process was approved by the University of CO:COLLECTION_SUMMARY Sydney’s Ethics Committee (USYD # 2017/1294). CO:SAMPLE_TYPE Heart CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY 36 male C57BL/6J mice were allocated to four different diets (n = 9) consisting TR:TREATMENT_SUMMARY of a control diet (Chow), a high-sucrose diet (HSD), a high-fat diet (HFD), and TR:TREATMENT_SUMMARY a high-fat high-sucrose (western) diet (HFHSD) at 8 weeks of age. Mice had ad TR:TREATMENT_SUMMARY libitum access to their food and autoclaved water. One mouse was euthanised TR:TREATMENT_SUMMARY prior to the expected experimental endpoint due to the loss of body condition TR:TREATMENT_SUMMARY and was excluded from this study. TR:TREATMENT Chow, HFD, HSD, HFHSD #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 50 mg of ground heart 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 SP:SAMPLEPREP_SUMMARY 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 HILIC 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 abundance 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:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:chow Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hfhsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd Sample source:heart tissue | Diet:hsd 2H2MB 317050.2445 478943.4922 418242.6749 415527.0077 494373.9379 605409.1383 493180.4845 384943.0606 565227.1467 455443.5593 895675.9253 622204.1825 489807.4755 455061.2622 732921.0183 473600.5841 278070.6013 457823.5772 604548.5412 966635.0205 547687.736 566967.6735 728569.4558 539131.6822 419962.1963 546113.3113 345372.947 255465.7465 800951.7755 442150.8615 524860.1335 426329.496 279897.1423 490222.3155 604258.236 2-HG 3523516.813 3682951.716 3064552.534 3925471.935 3287643.727 3988244.865 3763372.377 3058358.618 3585331.288 3546261.076 5632758.07 4305593.876 3705508.651 2790344.474 4786043.753 3475360.564 3043981.359 3197647.877 3993930.37 5291569.281 4036884.494 4109404.09 5222941.442 3954665.84 3506731.297 3521194.434 2569248.663 2478732.356 4499039.336 2777262.302 3338017.301 3176004.483 3127845.335 3579077.018 3559476.217 2-IPM 4118191.97 9631488.597 5694084.132 3775081.146 7573009.555 6246413.994 8566403.291 717039.4667 4759476.886 5049365.865 10016436.89 14782085.69 16515891.4 4223730.553 14418078.83 8704359.371 8180834.631 5206613.084 12325598.75 18771630.6 6061737.416 15527657.44 19790370.29 12994077.76 10616789.01 19115030.8 383396.8316 362115.6472 5364844.435 704708.4493 3078672.597 6387209.099 513925.3775 11709809.92 769768.2542 2-KH 62327.53825 85673.20975 70635.649 73695.786 65791.96925 83881.2085 75356.27525 65733.09225 74666.631 79289.572 131626.038 96653.03275 82624.808 60689.27575 107090.8248 82676.51925 55531.11775 71032.6195 81526.29525 120683.1293 82118.35073 82846.35875 103617.5228 87529.0005 67841.78525 76948.434 52189.6815 48603.22296 103044.6475 59991.2205 76584.9335 71110.66164 54800.917 76314.09693 73125.07275 2-MAA 29081.16675 40881.81 57928.31227 32636.24775 28563.565 42339.55675 43366.836 25864.73225 22842.3225 18946.887 42949.4365 48271.3431 58804.075 34970.88925 26305.28725 25202.4691 20383.0186 32495.80675 52913.80625 27991.6215 25924.40025 27264.2585 28121.823 23224.591 30125.8525 32513.32775 28198.4457 24607.4085 17501.33225 34129.86275 28786.473 18860.66905 25306.81825 20442.05175 17105.79325 2-OB 451065.118 568463.0577 494887.012 338409.497 732268.195 264175.703 658704.544 563603.075 424740.3467 483525.549 491804.404 478625.5592 373957.8091 550849.115 551663.186 363684.18 420738.209 495018.2016 508760.3947 373736.8665 490313.143 387959.8342 447989.5124 487784.841 432965.216 373104.6629 566681.0345 645712.0789 411447.2423 305422.5973 562531.062 460576.536 486015.347 471513.9802 526298.496 3M2OB 19965.61025 158805.3693 17200.187 110292.2598 30160.064 26978.07944 17693.992 8776.62375 98244.71486 119843.6764 10580.41675 60449.27425 34975.68825 10834.27775 130913.634 49814.48688 121791.7285 19913.20075 7447.013 163470.8863 76790.2085 76132.65017 177717.221 160766.9233 70688.74968 34586.84975 24096.7105 15113.09525 118106.9878 42285.9445 52247.1755 156524.0063 62180.299 156799.1508 126773.32 2-OD 28836.93125 62718.795 12844.84325 566792.1295 37333.99175 64470.6955 41594.821 220663.8813 35899.788 15733.86375 212989.3048 333501.7948 370371.6593 68079.92921 361351.7408 207778.1728 353703.475 209469.4078 176814.9126 36130.09325 24523.94575 44792.87175 29303.6965 217050.857 338598.7289 341884.7618 67005.867 344157.165 44584.779 1010368.139 182967.617 459964.9023 348328.9792 36312.217 28386.145 3H3MGcoA 194.55425 416.8445 189.48825 237.794 314.47175 149.0245 255.30425 349.01525 309.5285 199.61525 166.02175 189.92375 196.276 327.3375 457.094 312.42425 329.35075 157.124 335.86375 187.069 323.3875 290.41875 219.868 269.01975 328.35375 204.468 203.239 402.46725 363.89125 453.2335 212.1775 448.38925 153.99 309.5235 171.77025 3-HB 3169024.597 4185565.238 3164232.845 3289559.399 2197315.74 5146268.677 3126296.042 7252037.207 6313249.466 7901372.296 7136944.204 5090998.882 4166191.502 2060171.145 5608273.606 4803375.483 3795769.485 3086518.754 2713931.573 5949968.742 3083028.277 4155949.893 3833202.532 4729763.528 5819197.34 6677737.369 8246390.895 12062494.5 3658984.011 8025752.877 11013153.26 5532559.575 4745637.53 4504064.708 3706118.858 3-HK #DIV/0! 696.2145 350.61 #DIV/0! 1425.569 - 1234.9475 #DIV/0! #DIV/0! 875.5885 1079.664 1436.099 445.666 #DIV/0! 1569.4295 #DIV/0! #DIV/0! 721.656 905.464 531.128 #DIV/0! #DIV/0! 1228.6045 #DIV/0! 440.934 #DIV/0! 352.04 1040.6255 #DIV/0! 1450.84 1226.9225 1932.5185 #DIV/0! 1586.56725 351.988 3-PG 406568.7463 261669.2399 186154.5874 530108.2818 462992.7314 137316.9194 357312.9726 427207.4535 247374.4908 466289.627 209984.0093 183807.5611 397494.8831 396205.8571 433091.1013 456636.3276 334682.4636 266206.523 302924.6847 285881.5647 282724.8771 444891.2972 1007556.073 375561.9329 313714.886 389200.1357 588184.1886 223736.5587 421322.7252 293610.0146 447682.0856 244404.4626 294178.6438 397222.4784 358381.242 4-HPA 11365.68263 10783.8271 12769.87828 8454.281609 7466.054604 10830.3561 9841.426827 8716.516174 8950.457606 20136.64965 10229.7605 18536.40385 23273.08097 10260.87395 14094.3701 18515.69977 13987.66058 12174.84504 17663.63276 26272.45512 15610.7409 19783.5317 22093.14432 17658.46507 15110.13948 25957.42691 15738.12152 17179.38932 16380.50471 18819.68187 8318.066329 9056.253721 10415.37304 11244.28368 11732.21817 5-HIAA 712857.0773 713822.6408 656394.7831 722017.1148 569255.4817 703842.3206 741042.9445 791170.6994 523866.9172 638076.023 609498.2162 680143.077 687331.1527 676175.8695 746718.0348 671748.6923 566828.6808 459148.5092 662089.7383 569279.9951 525690.0062 578326.2022 836186.3947 555603.0987 465552.8753 472552.5131 551465.3427 481861.0045 838048.2998 629685.7486 890611.8707 588563.6844 564626.4411 658381.5476 715721.8882 ACP 4072.95675 2009.10225 4187.432 1376.128 1773.88925 4251.09075 997.53725 1885.1525 1501.365 3498.0405 2664.28925 2064.10575 3351.5525 1584.79025 2791.556 1590.1775 2750.0805 1774.9715 5323.38975 4456.67575 1426.156 1773.38975 1952.44 2421.44475 919.70225 2357.508 2220.24125 1536.2575 2423.89975 17816.40875 1890.05225 3900.83675 2056.2425 1547.38025 4456.902 Aconitate 1290860.263 1011926.777 600880.2138 1102397.002 450726.3239 1057960.672 1006781.375 1182030.817 534155.0133 956419.3237 676941.9542 497990.1792 706020.6592 540066.2579 1032924.494 597990.4672 589648.9969 303320.343 708979.4058 976076.594 678354.8094 541941.0772 844867.9072 700785.6658 642895.065 407321.5349 636533.0717 541528.2068 1209112.876 433088.2044 1019333.956 645967.631 530965.2167 747824.1255 860320.1273 ADP.1 12999221.92 18170144 11904215.52 19818235.57 19777455.68 8733974.431 16062147.95 20026722.26 15872912.24 15582904.02 15207256.89 17483012.65 16548556.13 13652796.54 20733807.31 16527519.08 14546328.16 10466582.42 11725666.77 19245375.93 15033378.78 11296288.97 20028512.2 14442403.57 14458861.79 9401260.776 15728729.57 8645599.624 17826440.26 10339857.09 17802269.82 19227408.41 16476973.4 15862291.07 19261871.5 ADP.2 8956436.727 11690651.42 7723955.88 13285993.73 12523949.29 5215909.43 10853033.3 13171886 9352253.444 10067334.53 8378903.15 10152894.04 10081861.11 10299849.77 12650491.06 10541299.47 10031925.64 6788796.833 8457535.369 12988911.33 10052334.77 7668313.241 13909927.23 10162414.12 9598274.729 6116943.9 11192309.88 5747591.296 11156690.38 6439538.582 11375978.9 12010577.11 10964989.85 10865668.76 12037224.88 Allantoin 1996114.011 1275.4875 2031842.421 917908.738 1829881.108 2321455.755 2678581.907 2810805.182 2118.598 2096.7035 2033785.306 1586889.682 2116545.164 1347732.01 1803.36875 994176.253 1429.9695 2442238.535 1878085.802 3139.98325 1813984.589 2300.041 2002.57375 2655.95425 1122.66325 1708419.265 2165347.34 1665709.24 1854.555 1827701.637 1288065.893 2286.713 2021345.601 2839.19 4070.354 AAD 83749.8735 89513.83975 128552.6053 96821.10575 83582.25825 141283.8098 103675.7685 87062.60425 106977.0935 114098.179 118282.922 124708.878 111607.774 63415.15925 102446.4643 111388.912 103398.5565 86347.57925 91591.43925 122634.404 84445.52575 105807.9768 101023.3218 105949.0635 94479.04875 104101.4525 81868.17578 86161.75975 119146.4018 94683.2175 91842.3225 119929.952 84435.08675 110992.9658 93689.98625 Ascorbic acid 4689415.841 9341440.757 6456440.218 4325242.034 8618215.599 6527476.734 10050977.67 1040333.836 5019106.875 6435187.686 12207404.18 16277961.34 18414990.68 4595703.949 14796756.78 9733648.998 8935897.187 5769950.328 13529453.09 19575603.96 6485218.027 17303442.62 20556332.42 13277987.17 11949160.68 20761477.19 632118.2123 562683.9533 6085485.092 1087509.208 3852716.837 7319378.691 918749.7835 12861362.15 1126523.423 ATP.1 17319205.4 15115967.99 9160773.877 8870275.248 5644616.17 10416420.52 13064540.28 11773146.79 7383993.825 12328508.34 8447595.542 8494587.96 10270726.37 7418190.997 10101043.61 5470140.309 3793629.901 3164178.532 7836563.007 11827754.94 13594671.51 7269526.323 13124525.43 11059256.09 6628969.031 3311217.094 6336647.973 2871621.618 21570895.51 2695868.757 13896964.99 11415337.66 8948716.199 10268571.19 10538158.01 ATP.2 30326216.21 29837205.47 15943408 17085829.76 12046215.21 17617653.26 23525000.73 22595610.01 12840228.63 19383290.65 14289636.56 14398552.83 16693104.81 14671021.97 18497713.66 8952949.14 7366031.148 6076165.652 15854483.19 19874644.09 25307253.84 12508132.13 22887226.51 18419038.28 12382616.34 5717120.475 12655339.57 4984877.436 35290303.26 4826638.765 23990877.68 18771366.99 16525607.56 18295304.67 17606115.36 CholSO4 1486575.623 1037625.924 1565485.772 1300117.154 1112671.391 2521603.066 989628.244 1251614.081 681366.4102 959377.568 1404651.93 1799696.989 1686492.645 1003889.267 1257157.17 2297734.911 977038.801 1474750.232 1585566.391 1027094.973 1791703.931 1189227.833 1908624.23 1404344.958 886372.501 1767626.521 2080326.801 1550746.56 1637078.632 4330172.437 4364146.746 3399810.562 1347565.463 1685950.377 2882756.658 cAMP 499398.2498 390530.867 407916.3863 605221.821 565589.5439 370902.6798 579051.8165 454783.2165 1082976.657 616284.333 492818.5483 381900.385 473177.2093 241591.5545 639786.745 562146.7388 880174.7805 848555.1412 294914.0148 477541.4259 430595.616 525343.2235 364216.9312 607558.5407 1031861.237 746284.0415 558094.7485 2097668.662 257868.9918 567303.0967 335750.9265 775842.28 1191872.171 854467.155 511990.732 Cholic acid 20663.33919 39894.24164 27507.52423 99515.15303 147994.8454 233451.4263 98919.65606 476802.3043 265386.5165 39552.12161 808783.0997 98804.60965 156959.3517 39206.23602 82120.64687 135472.1939 126885.4245 127052.1439 51958.15171 75732.06404 76938.47042 62752.67139 18827.79214 128384.5151 172593.7784 175081.3669 184820.9846 38366.9731 22197.82381 93253.95236 9747057.82 4508295.111 116127.8691 431618.4149 168648.9245 Citraconic acid 429338.0313 388218.2152 314401.273 445557.8576 266461.7074 507629.4313 353877.3058 399410.402 284080.018 397684.4703 415541.4563 371529.9737 357162.5108 310170.9665 483029.4764 349668.807 305828.0788 213147.2737 318372.5908 456508.8555 311417.5735 330982.702 458688.1843 337860.1695 259915.5529 283714.2195 264178.4227 230356.5413 409564.3577 276398.272 407513.6699 366050.2455 284996.613 340178.221 411407.1455 DCA 33143.49525 220189.4496 25556.24475 158148.4338 267473.6893 146412.5945 235144.2207 497320.5078 56145.2175 20181.31825 74735.7155 40989.37775 82677.13475 228467.8245 107044.7803 24258.08725 144531.2018 288227.8505 55756.599 14747.468 23463.621 25318.663 48475.8505 36325.71725 111242.6673 30412.834 265480.8433 184100.6162 13447.085 14175.219 263184.1178 123054.15 223113.609 43855.42725 46364.25975 DRP 1194.80525 857.36225 501.835 700.37075 734.77475 847.0725 784.53825 638.0195 866.59775 889.948 682.1905 1099.22525 997.353 447.35875 979.253 670.2335 671.669 684.31025 1217.13525 1153.3845 802.18725 664.68525 842.05575 920.1905 613.1955 868.26425 1009.76425 795.1305 717.30775 429.4465 494.78325 742.322 573.20775 1003.5005 896.28725 Fruc-1,6-bP 10727532.23 5981662.356 6727483.771 10117438.75 9446949.29 2805945.507 4844901.956 6012282.999 2170484.604 5295372.727 4004776.675 5882367.712 6008830.488 8767566.672 7317001.88 5577533.689 8215929.693 4729781.93 4651656.782 5160146.027 8689497.448 11197577.77 19940324.48 7435151.671 3761490.546 3461646.485 4764407.338 2321118.75 4329731.095 3922163.421 5731985.976 4566270.93 5774100.943 7799855.85 4202708.129 Fruc-6-P 39232449.25 18386294.18 31220045.01 28962060.26 29979614.16 19876095.47 26666666.2 36607298.32 6666229.294 37475740.85 30859069.37 15748345.05 32289956.92 18908466.06 38096801.04 34030934.16 32285066.35 23983740.17 15750586.61 19510782.02 29445206.74 35593062.73 30399398.57 46872313.59 23888186.16 21954894.6 22464573.02 4897397.797 10335051.86 14507452.06 18022341.5 18935417.31 9640121.8 25519008.98 8506284.421 GSSG 6666408.804 7093637.883 7192628.544 11466724.79 9325915.109 6034063.78 8698163.066 12464979.22 7030545.829 7576807.919 8717935.932 5578040.789 7417244.281 5754748.973 13021215.44 9454184.602 11679136.38 8120925.333 7523999.549 7320906.685 7009493.135 6016379.747 8975299.912 10232602.99 7840142.7 6167154.222 12359168.58 10471115.88 6490324.98 8414594.82 12758111.99 9178168.724 6822657.432 10039616.7 9390625.822 GSSH 6898489.963 9345922.017 4031722.191 7246450.468 5322794.559 6991622.928 5192203.718 5238750.543 8453132.152 6717324.28 4759373.449 6574356.884 5889677.576 3255985.522 8939745.152 8091201.739 9711698.961 3969002.686 4714589.071 10171559.98 6172508.12 4959552.34 9637993.848 8257150.644 9504745.897 5058030.984 3163201.814 5443761.711 7964780.733 2772958.281 3637540.338 6927809.808 7454266.378 6826782.754 7539175.953 Glyceraldehyde 59845.545 39283.5205 65558.50575 45169.2585 44243.889 44844.36575 55760.774 60037.1255 35016.45425 85340.0745 34998.7805 37576.8695 51014.38725 36982.81025 47081.119 66674.6915 58175.90825 39583.32875 31662.79175 65911.76075 66372.85225 67183.87075 77402.9075 46743.506 29697.45675 22514.8765 68368.15375 28780.6205 77865.77575 67720.1265 30314.45125 19401.78963 41060.64925 50358.523 73152.51225 GAA 195837.0375 305988.8875 169869.3703 115269.7028 114367.2268 155337.763 136346.1553 331220.3483 168860.1433 375394.9752 261095.2412 128275.3955 216225.147 91664.8385 148896.8348 143739.694 125183.2345 166187.3515 148227.7733 200047.9017 107571.0871 113428.0485 142915.0065 163335.2105 187688.9405 147353.0675 304782.4305 354656.925 181745.313 404269.463 387661.1875 254054.6728 218083.9535 237953.325 129318.6973 HCA 740323.321 1169456.423 1250588.883 1149837.272 1206929.851 2069995.818 1230049.295 962531.7075 1168250.125 228553.963 658304.7582 314305.1177 367071.7932 308127.0512 312882.3955 215743.3835 160090.4054 248573.1133 190615.6035 343190.0505 258702.1875 191593.9552 341758.2964 195891.0859 379172.4432 309873.8291 700860.4728 955949.1142 1235248.448 1027310.285 1274960.555 1283608.103 899055.002 1215999.41 676790.5659 Homogentisate 41327.797 115367.9036 32797.6055 152181.6118 102575.3028 22917.86078 131138.2156 44945.00717 36136.039 61327.09757 19758.43361 56931.88822 23157.00358 39621.45215 80173.1848 16195.71511 31838.44337 115697.3652 147811.4229 49602.75828 57847.34103 54500.0175 58343.09745 56758.77103 98477.29863 40802.29903 48272.61474 171441.6172 109569.5615 56639.42893 36706.0335 180981.1793 26804.161 28533.2857 72811.70814 HICA 80792.70825 49452.43775 129139.8787 143708.4215 123570.408 222759.7897 155613.9625 105144.0775 60240.15775 33779.17075 96634.01475 183727.622 184970.8625 98605.52353 70033.59325 118198.7403 119960.8803 129128.1931 132375.3671 13412.62475 102298.3948 82060.41125 67589.494 77423.5605 93085.39375 173261.937 106191.1808 107323.5877 16450.778 230103.064 86146.73725 68717.4245 79590.34125 46590.2265 15584.171 Isocitrate 986628.9223 980900.945 897726.6098 960562.3747 425046.8795 1237994.3 939612.7526 754018.8485 434964.1444 901418.8818 811475.4724 806514.5262 722158.7045 352568.656 866752.8058 576454.082 527278.9371 431769.5445 508909.1907 744646.323 679079.4243 502294.7214 699562.5331 642499.5858 460730.5296 380899.6877 557677.873 368777.4557 939789.3671 541023.4618 625047.8922 745192.0208 462360.4518 596182.7243 680099.9938 Kynurenic acid 35485.82389 30522.93718 41175.061 58742.30944 29243.75825 55577.28125 31242.216 24902.8265 59050.44028 34212.8035 28684.51 41697.20375 48402.69397 13701.01125 15807.88825 45547.62922 63368.1781 35865.901 32337.54596 30306.484 24824.29951 50449.19475 21925.49775 58279.46594 29446.39832 54113.19772 24658.25737 34022.257 25509.461 60054.68175 23943.98147 31330.86425 39871.812 42259.03855 18166.63925 Kynurenine 12908.03075 8324.563 11935.02175 10900.0845 10694.61875 8340.46725 12480.58775 11368.3105 11907.958 14030.25425 11617.441 12524.317 11315.10325 5939.589 8402.30675 11580.81125 8747.74525 8471.563 8115.8015 11976.7685 10581.3305 14659.293 9827.138 13164.93825 11367.9675 7793.75175 12466.8475 10780.86875 13272.564 13238.80675 21802.98125 16307.04675 12545.36375 13712.593 10503.85925 Malate 26743876.12 37622776.29 31371467.83 29365205.04 23295589.98 29934013.46 28703465.61 30128149.39 29714264.36 32110511.82 26090863.16 32219558.44 28816089.84 21347583.2 34406122.72 35371282.95 33171294.37 31080436.89 30689698.8 37543871.7 18715623.77 34628634.81 28735624.68 32843417.07 29503215.49 29743130.03 17154484.7 15137121.58 33491439.78 35582353.86 26427570.18 31644768.8 20805306.15 33481263.37 30920483.61 Fumarate 2565399.635 2850845.517 2863179.093 2554901.15 2423952.829 2534556.597 2363672.23 2354228.671 2432121.2 2563935.793 2268334.274 2663883.476 2513450.008 1850263.518 3000666.583 2835853.005 3305843.394 2520358.473 2920576.371 3458083.515 1764256.518 3885120.378 2344910.139 3097433.017 2531393.241 2798447.597 1313345.189 1329928.434 2731647.181 3103094.66 2307783.665 2855880.045 2334065.444 3164159.184 2413124.253 Malonyl-coA 5465.97 8936.32225 11070.268 15805.52925 34639.7925 21968.15732 11081.34575 10761.145 9095.62825 14068.44875 12814.81875 2606.89075 18427.67003 1242.066 2667.36275 18582.0775 22469.4425 3038.65275 10619.49925 13457.84025 17386.55225 3095.89375 6342.641 18579.0215 11929.139 15947.222 19910.072 20543.52775 16432.34575 341740.6223 21188.2685 17067.4955 13489.05975 14874.40175 8676.52975 MEV 46639.46525 47692.68303 50669.33875 159400.6988 81471.24575 125520.6225 35106.59989 38057.14135 177889.0107 80382.60075 225436.1548 101029.5665 68495.52925 21284.225 74324.7796 167614.4338 118146.0595 93701.8285 53949.9595 101099.9803 146776.8544 63500.34139 32998.40575 111297.2733 180717.9918 154118.4145 81552.40925 157096.14 12486.9685 96508.42525 49629.14625 38070.05025 168535.7234 165220.9888 72448.4475 N-Acetyl-L-Ala 207288.4285 293666.5513 306490.9115 210841.983 211291.2388 322110.1258 280040.3845 231657.6728 293699.3393 300984.4033 354602.6285 335775.522 351015.2725 201347.8868 263795.2543 322073.3655 292700.1927 240306.9868 295391.0275 370846.9881 254299.0593 299668.0905 360001.7587 251755.4523 255707.05 280304.362 240036.6198 264342.6598 323797.6512 268570.3277 215204.2248 270070.2855 226784.0135 278929.8785 253866.369 Nicotinate 6814.49925 3864.6785 2037.5015 4745.55975 5715.152 6654.36075 4213.9315 4609.1325 2311.20675 2504.90375 2501.615 2933.65775 8322.85075 8238.7205 1632.56525 1437.95475 2621.5425 1972.21575 40875.01381 1688.71475 1868.2085 4998.30675 6852.177 2729.81025 5251.7675 5691.41 4224.04525 23723.43295 2013.01025 4871.22375 13258.596 3298.9525 3518.40125 2389.13225 1809.65575 p-AB 15950.85607 17393.29375 17780.264 15347.80425 20310.6934 20450.12525 19707.6175 16470.4775 111917.6553 33698.42075 27986.265 23007.59675 14072.4885 16228.62375 16679.894 38575.6305 56179.82642 33727.05875 13307.16775 28032.19075 20119.84685 27399.1295 7883.175 32998.80025 60637.7056 69553.46799 23287.7135 95696.73275 14928.603 22562.6628 16920.7435 29655.62575 49110.0255 46491.906 22049.48202 Phenyllactic 3355.829833 1375.12425 11681.6735 3110.208534 5419.7565 13234.6095 7946.9535 4112.085 1370.732 1786.5885 11202.566 12450.311 12795.8495 5022.382 2072.13975 5959.0505 5337.088338 5177.45825 10624.82525 5671.47225 2596.818622 2451.904 4874.62875 1210.9175 2632.07075 12308.9795 9018.1745 9281.1105 2891.07875 16003.297 6304.896789 2754.0335 4718.782255 1540.939 2015.109 Phenylpyruvate 16164.83601 9188.356417 11964.92617 12014.20161 7111.224304 14443.57453 14164.1213 13328.13252 7304.776688 25032.52749 12467.97145 10072.7658 8436.718874 5421.262902 11427.46933 16854.4727 8284.916555 7419.993207 12592.88567 23831.3798 14291.72619 16774.94229 16318.27718 14086.13627 8029.247873 11129.80456 22326.54314 12526.09459 13248.06987 14666.52333 15230.88442 9322.717531 7211.628494 6871.229294 15544.89026 PEP 96454.23833 43892.30014 68996.16214 50031.78494 36720.19494 67553.99824 53924.60238 65663.54287 29886.09986 67208.78406 60279.35415 45122.67703 51408.73637 40600.04809 43050.76688 48913.75434 35406.99253 36179.06041 33715.98324 48109.03644 103514.4831 64916.63448 65824.86956 54913.2476 44556.51981 58968.36481 101925.2538 37427.98144 80960.10505 78098.31158 85005.58792 37705.92361 58708.62367 57722.06009 86954.45278 Pyroglutamic acid 43188.0375 46927.2915 36635.9915 40487.5305 52725.7256 38962.869 58333.891 49882.72375 38524.59925 33341.724 54081.65375 44586.24993 40835.44275 35704.86075 49632.73225 32527.98425 40848.13118 49882.3115 56065.64675 54127.5655 37566.4175 43804.2405 44658.13 44768.535 58729.29878 33237.406 45109.14475 52825.68975 40369.8265 33894.25275 55850.32799 65405.22506 49450.51768 43153.36475 30568.9945 Pyrophosphate 1702343.494 2154980.038 1993924.638 2178393.688 2724118.693 1849490.565 2386294.172 2007439.111 2465906.014 1303211.716 2688251.572 3349272.904 2490085.231 2685527.909 2523578.113 1868149.016 2907858.585 3117894.672 2155890.895 1277730.601 2330552.527 2252166.652 2444050.314 1957585.158 2714351.295 3310529.873 2116480.621 3960860.817 1332682.883 2429491.444 1596266.999 2605414.092 3728582.204 2062644.12 1643366.824 Pyruvate 91296.87479 38750.25571 54048.5302 61607.01238 46652.59554 64308.57334 47103.42889 67163.58186 49436.36587 86559.7163 62757.31187 50425.90763 68545.64458 44590.39003 61602.80113 86985.0154 71499.82798 41043.40109 49691.89986 50682.77139 66831.79381 79094.1954 65706.73845 51127.30072 58095.0895 97301.88925 59327.08534 51955.93798 54808.83919 109372.734 74583.32077 45828.60123 45967.2118 44547.7879 80889.02244 Saccharopine 148867.077 57819.631 111436.6939 159403.6898 55245.37 309340.1004 45845.02571 113310.076 316821.1 81050.88872 242821.5555 80226.657 381568.2942 35100.487 180193.5618 299556.004 155116.1051 45593.08646 45862.61 151426.897 70521.65624 243188.779 232688.3099 106604.0352 111391.1106 242896.1553 14658.153 82287.43737 2820.51 303916.329 124039.1878 238209.1095 99685.96202 255767.3051 382581.619 S-adenosyl-L-homocysteine 116014.8033 78587.17525 93809.5325 93739.6595 81475.55925 95916.77175 94844.8405 93061.56525 220161.2638 149116.569 95678.71525 91534.98475 78774.31575 65681.43075 142518.1147 124184.5032 192154 125945.2185 72843.11275 144493.5487 125051.3545 127060.272 118564.6518 184051.098 216456.8418 151770.9913 100655.177 331520.677 106764.503 138933.0013 72184.79 105922.766 173018.4935 164209.8785 146771.6683 Taurine 81465214.98 95371462.89 73191488.24 98548540.47 104638475.6 76789098.3 83787177.74 98578822.2 96597793.84 79516606.97 83486628.24 76822258.45 85898558.5 78337874.9 104801797.3 102480954.2 80731351.6 81674298.66 83827262.82 112380925.1 76233399.55 76519588.45 102935992.5 94041986.69 91529963.13 71562023.6 97014886.83 89116776.89 98884013.55 71086926.09 98692037.41 90299142.06 80075815.22 90785976.54 95891324.04 TDCA 13314.58259 25247.54975 20067.0625 16189.43 137784.7053 35669.20475 62382.10846 83860.5945 266898.489 98659.8175 3746846.815 40644.42 44607.01975 30795.5545 36238.336 97019.1015 26835.80225 83330.825 46601.25564 92878.111 56473.66075 63828.492 26090.498 251440.1608 837577.6463 430219.5909 342944.5175 41380.84775 16053.593 67053.48925 383561.204 145237.814 61283.6645 1169625.836 156178.215 TPP 283972.78 241261.2792 277971.0815 378893.3315 363948.8486 209924.0653 260014.4005 274898.6751 469119.7366 332986.2766 519244.2732 564682.2845 513445.3774 386664.7356 465396.2406 715958.198 486176.3239 326985.0793 286012.9936 495509.3272 280499.0238 465207.4912 421952.0266 373194.112 351549.7426 646896.2981 304561.9732 309435.3702 307649.5265 605843.3719 282768.4029 443839.6791 387058.0058 369845.6622 552975.7561 Thymidine 556767.2968 529011.443 487044.4038 707672.037 513857.2068 512198.3268 532409.7265 569036.3342 840938.7682 809775.093 1088827.655 477027.606 397289.195 426810.4845 488112.6945 443979.1831 580260.1513 532782.2913 410696.3375 603109.9122 401531.057 512291.6163 403045.6052 602289.4045 843702.9425 464620.1895 440134.025 628139.867 520742.3615 342516.2538 589661.3305 782076.7703 498927.947 640772.855 556541.814 Uracil 484160.6965 1767544.86 450481.9138 1881539.765 1289709.378 2022149.066 982671.7405 793272.4582 9116975.078 1320277.295 2251852.8 1405145.871 1022889.935 836552.3895 1656967.082 1810286.983 3275533.969 2248059.224 1127316.51 1932532.75 1081425.594 1595512.495 976195.7735 1921870.226 4297917.357 4084615.309 803486.5045 3897996.352 857470.9187 1387680.967 1117014.676 3640897.424 2911747.901 4315267.263 1407887.143 Uridine 2459462.604 2078079.546 1986377.833 2938902.988 2725481.998 1780778.28 2427733.674 1927586.14 6015505.97 3519464.005 3418029.873 2537559.021 2530423.432 1491490.364 3439876.808 4205777.228 5604207.82 4760410.577 1418987.036 2574188.639 2725252.054 3372888.278 1543210.514 4181650.082 6609220.865 5407296.346 3014518.159 5616779.621 1090712.613 3311230.98 1616319.834 4202967.272 5234462.682 5222808.767 2744918.24 Xanthosine 51955.32986 77619.72645 65509.00352 94890.92634 74728.17001 107499.581 80544.56844 84261.01001 869173.8293 153402.7645 121738.0728 77417.04725 63274.10083 39618.69575 77609.18996 202323.6263 284034.355 177576.0477 51462.13349 103117.1086 90338.10432 116699.0836 36918.90766 158845.0047 358499.9475 473556.5173 109533.2023 569216.3025 80374.30471 127006.2537 68789.54624 149248.3194 276040.0298 186454.0631 97044.5846 XAN 45159.56836 46318.66116 39076.77143 46041.45497 48196.15018 40070.40909 44988.08848 41002.18773 47356.33594 54991.61348 53700.952 43548.79535 36118.08788 38805.6107 46305.47073 43772.68185 41009.03003 45996.63962 50439.91783 60195.4983 42638.31305 48480.81984 41195.50643 51523.51342 46592.398 42595.71514 48487.12543 52292.046 55207.32844 48868.73533 76040.61875 78604.48919 44986.98925 47705.22384 48708.33325 Acetyl-coA 15024.10256 14912.602 20492.81019 23535.9655 26156.7825 34205.1095 14891.3405 15885.46025 14401.73975 22150.42325 16788.84985 7539.59175 24990.7275 5026.73175 5889.272994 24026.62622 24773.03625 12393.858 20961.568 17923.59275 24561.9495 11451.88225 14688.43375 19207.40175 15877.19725 23134.464 33082.275 23885.8295 22221.1715 431472.2725 34026.8325 20664.745 17896.92275 21727.7745 23713.89275 AMP.1 41416157.81 24314783.06 31665089.63 45340785.36 76287409.17 17396349.91 45637938.51 44887070.75 48157756.64 25195628.49 51145650.23 60046935.3 53281675.73 65878987.81 56241596.37 62129395.07 67256424.33 69527778.9 55684176.04 39977236.77 45433719.94 70955067.44 43750509.61 42314522.8 53495467.01 68829001.41 47781710.75 57782972.29 15938799.13 63177477.71 34160218.48 56570746.65 58535773.58 42352309.94 49005546.74 AMP.2 9114995.658 4618492.417 5904492.894 10670327.04 17812520.28 3467718.355 11882125.98 9069648.77 10477186.78 4453756.926 11226769.47 14202357.8 13009327.1 17506284.15 14170660.28 14962319.98 17862642.44 21668004.16 13515175.13 7977608.077 11373013.63 22420076.43 9205445.49 10483357.06 12268770.15 20276424.26 9709593.443 13513188.5 2792913.988 16567687.47 6671514.364 13733175.09 15041943.11 9520894.106 11243235.48 AA 27192.5655 38351.77675 44747.417 38488.07275 47792.51925 49093.73025 44095.13425 39743.03994 264625.9275 60231.24225 70116.357 43462.90225 35548.49325 29886.01407 39237.766 96656.54 126938.3583 86009.55087 31585.65475 73467.4025 44736.29075 67401.42791 19134.36425 85059.30059 151803.6928 161831.8162 53397.47433 223631.4481 40471.091 53367.45475 40321.35733 69141.78575 119764.0519 114332.6211 60804.98175 Arginosuccinate 206747.4678 362421.0877 361307.6312 330781.538 367028.4715 423272.7389 371989.3892 289754.5675 424563.1632 379388.0727 459116.5295 380403.2704 438309.0807 242464.0368 345442.9788 304382.9738 243980.834 372424.2477 356563.0625 379511.5838 296338.493 358592.2599 365283.0843 365720.8514 309708.355 407440.6113 299164.213 219306.0985 403934.022 269100.7644 409001.3188 455754.2232 221422.7123 436926.0298 270403.0873 Biotin 2028562.576 1675894.065 1805134.227 2604308.711 2323225.112 1591434.692 2126353.895 1630984.533 5194663.778 2833258.962 2973619.794 2139854.101 2156661.009 1201936.631 2995890.418 3633970.771 4895181.03 4234821.791 1276096.836 2226098.848 2461544.212 2938890.088 1334337.147 3367879.842 5773291.781 4561115.44 2576901.212 4864145.39 876932.914 2837820.818 1377886.616 3695208.8 4874500.495 4278057.339 2294574.6 E4P.1 759585.078 517760.4895 823288.8027 543228.244 584091.7762 710981.4272 612570.0453 561804.739 467579.2737 825018.7007 802980.618 689879.5095 863929.3357 554235.126 634488.7015 805187.1102 616775.723 613242.0697 456523.1418 601567.444 655373.5735 915651.48 646230.1578 792247.4245 581528.1398 850854.0663 524321.6102 348298.9123 523191.6128 627886.4745 474820.03 558683.3065 381147.8743 705588.409 509592.15 E4P.2 436326.3278 181224.6577 487687.3187 231756.0445 286425.4625 296759.2053 334070.1365 333851.5448 110887.843 419540.971 368959.3782 242204.0095 395055.7988 219847.862 318476.8823 349308.6735 272656.2095 333723.7457 205932.1383 235104.863 367379.7047 513432.098 321686.3708 429073.9955 250114.859 362916.3053 222370.9313 45079.24475 130390.719 226391.8649 194994.963 198656.742 118640.8988 314021.6973 109265.3695 G3P 1807984.579 714946.9792 1319436.653 1245730.734 1135793.356 1161726.613 1125267.849 742269.7935 853888.5882 1169282.402 1379960.599 1285022.127 1216795.891 973945.08 1168217.298 953221.4895 1147614.946 1676378.339 927231.4275 936372.765 1368988.25 2035649.677 975982.2146 1335661.546 1104327.777 1653451.257 848068.9038 547096.454 490816.8292 1161812.686 505574.3989 1022849.974 758874.2466 1165508.594 751561.797 C5-DC 889.7955 718.28725 914.2525 779.5885 648.34075 959.22075 670.58925 402.8165 1254.959 582.12025 1386.15825 505.889 1338.44275 961.79775 601.635 673.74 570.86325 804.36625 1053.4525 1009.056 666.34425 894.655 627.81975 713.2655 806.65775 1206.6595 807.9155 934.3035 906.0115 795.4265 911.02025 894.29275 450.153 892.35475 375.1065 Inosine 6313763.93 8174256.673 9590048.239 10965616.31 9870804.114 10152767.8 10883226.7 9424931.008 74096438.09 14295014.73 13695679.4 6142362.139 7513796.918 6590628.275 8429256.373 19555902.42 36457971.95 23987326.54 5901424.424 19717300.89 9605646.577 11921918.53 3724445.36 20106742.2 53982309.93 40890108.77 12031708.54 67622555.88 10781160.83 12288651.62 8491968.873 19702105.69 34111045.22 36165231.77 12378106.08 Malonate 2424268.86 3533080.737 4561949.867 4037337.706 2178512.036 4613731.337 2684984.256 7280553.911 6430408.957 6747238.352 5121791.999 4773225.302 3984658.27 2536245.241 5699376.66 6593483.342 3127280.642 4291877.38 2470183.631 6572197.142 2256641.912 5810462.853 3439356.513 4200401.023 6462178.756 6550565.129 8734668.725 13293287.89 4682423.956 6991387.445 10640539.02 6813440.002 4102670.044 5396154.848 2921569.903 N-carbomyl-aspartate 266644.2752 270004.7015 336209.8885 278570.6893 235657.81 294938.6442 277321.5673 265003.059 278404.0638 230459.171 294330.3535 278447.65 335311.4512 194135.3998 283567.5165 281251.3903 288828.3795 256646.4975 287131.1897 276944.525 276602.9708 299339.7098 276610.842 289035.9755 303480.949 304875.6647 242597.257 267365.5333 264519.1663 299769.4272 324201.3075 403603.534 306213.2205 282385.993 224673.0153 Niacinamide 30286.3695 1489.13125 26665.77575 19330.16025 60013.969 18937.58375 30128.386 24858.02625 1491.7715 1263.59425 36411.7205 29925.83925 57791.27875 60859.00025 1100.44975 32197.45225 1636.57425 49391.38775 37203.34825 1956.79175 29405.34075 1353.4025 1598.32525 1156.601 1180.934 72096.77225 24167.424 49412.41275 2269.80425 58144.4685 695.15775 1640.14325 54337.9025 1793.18225 2171.9025 Oxaloacetate 640686.7065 735197.393 756716.5372 632369.5521 617439.2243 788139.8047 646677.6345 664677.8025 714280.7285 626796.1063 770484.7066 721367.613 689281.4309 487792.6597 657197.6301 647479.5541 522335.8001 533105.6214 494814.6617 648397.6415 528670.1732 508826.7609 575586.2924 580767.2071 567128.2562 735315.6685 616846.3643 559919.5633 748176.2201 757308.1665 703235.3787 659107.1688 587786.8932 638991.191 714933.3135 Phytonadione 102.8775 95.915 186.0745 134.34575 212.581 115.269 156.12675 94.343 223.669 98.35125 237.2895 122.6385 114.562 106.46 166.82025 236.54625 57.228 110.0115 177.72525 152.7495 79.89925 92.4905 196.927 93.57525 126.3415 71.475 109.21825 160.931 76.89675 242.732 138.65575 108.78575 127.80275 133.7525 121.862 Prephenate 357.896 376.2550769 555.444 888.191 402.908 4157.183164 567.769 306.796 347.447 829.2576677 1034.863 1035.293 355.546 451.736 1139.8 541.431 297.848 611.461 1479.982 4308.109 586.615 976.749 666.394 672.971 1235.335 1565.276 525.917 2004.146 514.773 9545.764 1106.948 2454.934 287.273 1045.758 4130.364 Quercetin 3221.85125 2838.31325 2342.16475 3564.1 2968.1295 4581.89725 4614.42525 3156.953 3395.5095 4173.4035 4013.253 5848.7775 4388.5065 3313.42525 3527.76275 3685.8975 2556.17475 2659.66125 2823.17075 3798.337 3851.33025 2819.7965 2872.8505 3823.13375 3266.6685 4151.0435 3505.39525 3834.2445 3610.92775 3980.7075 167661.4663 2992.66375 2736.8765 4565.5165 3729.5965 R5'MP.1 939526.8588 644866.7642 1546237.73 574607.0393 916335.423 595506.7095 1194263.071 748545.0177 513352.9574 604180.1185 1456342.475 918489.8682 1322207.551 849332.2989 673366.6157 864331.9162 825366.8568 1375853.866 701114.3755 444962.5512 1096836.16 1187153.715 812481.6028 985345.3188 1095601.043 1552044.809 620381.3403 361734.868 379141.0618 889280.861 510826.6905 759245.7508 520850.8292 751115.3298 325719.4978 R5'MP.2 630165.745 449455.6391 1063554.801 415303.3413 650031.5933 535726.9751 919692.6092 572638.2148 361021.6215 409693.702 1140833.793 796490.2568 1237799.395 645679.3841 462562.1134 588912.3047 556449.7928 1176294.176 538189.7256 313101.197 704209.7639 826930.6383 621674.8653 733904.457 634849.6742 1241374.224 479821.4253 228869.3713 256937.477 681045.3352 376755.935 597055.265 355940.2106 582818.8678 210368.7718 Tropisetron 105090.966 107960.612 180921.571 254360.195 186991.654 61638.144 83420.925 100729.959 155754.887 65972.739 179075.901 316113.701 276122.701 183679.677 147217.1 244738.653 211835.691 69642.98 272416.544 226144.872 49231.828 92146.94 192176.792 54972.556 187351.252 51767.87 152642.922 154874.356 77534.906 273406.466 633190.919 192514.487 66916.174 86583.075 185961.855 UDP-N-acetyl-glucosamine 8866.05875 7840.4115 7151.4485 8781.56325 8439.964 7771.3735 8875.183 8824.721 7267.76475 8412.61825 7827.69 6933.9785 8799.65675 6098.806 8202.4595 12154.02325 7836.93875 7730.2905 11449.15925 9083.308 11445.77825 8711.1525 11062.80175 14351.54754 9112.32325 9755.1715 12794.685 14496.66 8572.4415 21977.04075 10148.08975 7693.01 9981.61675 10355.40025 16234.14175 Ureidopropionic acid 1053731.476 1443024.338 1380924.949 1457814.594 1371945.433 1467409.479 1358539.45 1213797.074 1454708.277 1177064.014 1470721.665 1430758.445 1417696.697 1021157.556 1502822.756 1124771.872 1219451.53 1306692.507 1033392.25 1508205.587 1217783.579 1294675.016 1373574.669 1320249.67 1312107.967 1281031.779 1013821.371 1184769.163 1515054.343 1081022.852 1285769.428 1553791.22 1250656.342 1477657.84 1018018.524 U5'dP 244369.4373 220182.2403 277058.9453 247862.9075 289025.3587 271975.5483 283112.5518 283414.6665 164189.4667 258889.194 351504.6933 473651.1435 388349.8703 374259.3345 256645.9288 206289.3037 176858.701 226734.919 281281.5875 262203.0228 309483.637 360099.468 284374.6833 248513.7713 201484.9308 245118.4978 221670.5695 144239.5858 229116.4884 212951.5593 277564.725 265593.5578 193113.8018 236927.626 175897.3695 Phe-d8 586065.3395 565853.351 565116.3218 556116.6448 528230.2592 602841.8545 588791.9748 610046.1945 552701.645 586685.9165 589691.4497 544881.3828 567665.9865 551615.9668 596916.295 561333.6687 598743.0833 548784.2637 582354.5745 577476.8227 610933.1305 588493.4085 623394.9938 600274.0825 576315.226 517242.3133 558875.8545 560617.8385 580854.9845 619027.4325 543747.9805 569241.285 605947.9715 587435.5418 602369.2155 Thymine-d4 803922.0528 2651.914 1950341.58 4521.116 1767724.564 2293225.075 1792963.292 1587030.698 4626.27125 2012.745 2031949.905 2153524.504 2085404.735 1979677.805 4380.3995 957080.2405 3295.86275 1713044.126 1806690.316 4226.69875 839409.0463 6016.00975 2393.1855 2913.35725 1458.0035 2002619.879 1579032.501 1742067.65 2175.384 2200083.281 4334.129 2008.376 1748148.192 2210.883 3386.49 Glucose 6-phosphate 49397598.57 22925344.31 50219918.96 28035815.95 35324726.03 30391968.6 36570446.95 41190857.13 12209267.82 52565251.01 41574779.11 26164354.71 46157453.66 25634288.19 36229605.54 46680749.02 33413527.06 35231432.24 23644126.37 29990951.7 36911983.43 50459787.61 32817959.75 50026428.96 31453279.53 40103070.89 28968691.32 5660331.4 15137459.96 28623892.6 23904015.15 24235481.76 13014599.16 34396998.85 12729454.69 Succinate 18121446.63 26161629.93 22126440.32 19306696.56 13153813.67 27836316.41 22291155.44 13800633.88 42207103.97 29379830.84 21661044.72 25175646.7 17646332.03 6886086.014 23025154.45 17053984.08 31200089.31 27310805.8 15209052.09 32481898.96 23861535.66 27314375.45 11796799.34 28907889.12 29835606.77 30204285.2 13787178.05 29759687.27 21240781.81 18790873.09 12795288.74 29815689.97 34335772.23 32238305.95 17552725.01 Lactate 146628842 189699292.1 154931815.3 195743980.2 170282922.4 165740622 152227087.5 133505372.4 449675862.2 408243139.7 212104496.3 180309903.5 164612811.3 96577899.26 273627023.3 263907697.1 281014684.8 229784728.9 116406588.2 495873545.1 219773873.8 324105554.8 169488845.9 370008981.5 377929158.8 260574720.6 146950644.9 169521682.5 235850379.7 138899042.4 96843292.96 235331295.5 211592658.6 335731213.4 291010049.4 CSA 6627.199 10613.87853 8135.15275 8472.8235 3440.997 3470.305 3989.9615 11237.8815 8960.60925 9461.321279 2898.7905 4249.924895 #DIV/0! 3557.003 15972.183 3519.42525 5228.2985 10213.22975 3670.4625 16399.42455 7699.342235 5965.60535 4683.05708 8908.78625 10090.72731 2406.8095 4525.2615 9191.143585 15733.71575 1532.00025 4620.48225 11405.432 7083.217 10350.85414 6535.28625 NADH 3012284.792 4014512.826 4951955.675 2710510.932 1994437.826 4495275.024 4193803.236 1464175.382 3932710.804 4315364.148 2853243.276 4244420.276 2312320.244 1389999.757 1978775.846 1213820.573 1451047.247 3378504.864 2387352.474 4570977.314 3840512.004 3063260.432 1962391.438 2717167.686 2216646.356 2115989.192 1608981.979 2544018.905 4895590.662 1704853.796 2287153.012 4078781.221 2427229.724 3200409.824 1748320.253 Glucose 4934.851 2449.18 4421.51175 3264.73875 3039.61575 2686.722 4353.864 4098.834 1885.642 6051.31175 3201.74375 1947.339 3984.22275 3162.49975 4748.41725 4518.31775 4450.88275 3953.4 2435.9115 4041.14675 4773.509 4917.266 5869.47575 2972.87725 1841.54725 1224.12 5904.201 1986.8085 6089.9 4713.563 2347.53125 925.84425 2957.6395 3906.481 4517.85275 NAD 15437189.23 21337731.8 26475302.52 15507546.84 12582328.53 25623675.65 21104521.69 10067143.42 20022604.87 19629989.2 17281170.7 24274442.16 15599825.05 8178022.519 14740646.31 7751667.04 9111287.267 17557108.66 13301232.66 26592016.78 19997939.21 15585337.95 12483773.38 17766183.22 13017238.65 14294118.57 9907647.664 12820604.6 23786739.91 11305423.95 13902939.19 22103003.17 12803555.89 19414824.25 10296750.81 NADPH 432768.051 771111.88 649575.2595 727387.6705 692204.6295 522459.61 597006.5765 636514.9305 594911.1615 733526.986 508808.5958 598270.5075 833915.3285 455492.357 663028.7463 555857.236 475031.07 537530.2762 556025.1027 744763.2843 461588.8693 416025.3078 723147.4015 629021.6023 563084.9325 440694.0443 526079.554 459401.472 815537.2205 320258.4433 560424.196 584201.7815 399665.5615 475000.672 486463.9795 NADP.1 111835.5903 206702.136 167116.6645 250024.5695 307285.6915 152715.5385 217119.8183 242669.2788 207819.779 105572.8815 216329.2708 191868.9812 289993.63 228934.202 323387.7928 237634.5543 185062.2362 263611.2638 230757.5215 237414.1713 188385.5483 194125.1228 246836.6477 285613.2333 243759.1408 206155.3455 281023.9795 217428.799 202210.2115 190060.4035 253314.9072 242251.4482 144256.7235 242931.6255 249848.3173 NADP.2 76465.1465 127643.6552 88947.6205 134841.0565 138285.747 76761.45075 104878.0538 116149.8325 100328.6393 80467.58575 94438.595 99599.533 128130.6783 89233.788 142486.7815 113232.8573 98634.249 112809.5933 114010.4498 120150.4513 82133.45525 85042.589 119923.8353 121769.7333 109985.115 78798.19725 126599.0558 104845.8223 109005.784 70303.56975 124933.7792 118371.4683 71536.19875 104790.5603 102747.1465 Citrate D4 3954.7375 4280.84125 6912.6595 5861.38 8694.498 4882.749 3561.375 6949.08625 8202.69775 3609.61675 5517.5225 8352.3425 8044.1765 7470.0875 5997.06625 7538.836 5285.7795 10701.46475 7178.94775 4657.42375 7168.75975 5790.6155 4970.57825 6749.4795 5692.62025 5674.165 7759.90475 12497.361 4019.121 4829.50125 6438.90025 7297.2825 5166.05625 5255.2165 6827.766 Citrate 87494746.03 85102428.8 78332836.28 93922367.72 72054340.48 88975933.32 91286996.9 104781293.1 66957578.66 75517951.33 83817867.84 79112646.52 96443483.34 85914757.38 92321053.94 87136795.97 68544563.18 56548510.63 82408111.38 71669932.69 73177317.06 78155619.41 104383836.9 74483258.95 55329260.27 60836047.87 74844134.26 61288512.78 101607222.1 79774550.22 102763844.7 82335224.09 65636681.06 83442332.51 81093585.4 3_HAA 1018.6545 598.5145 1119.856 660.93625 585.8345 900.91775 787.07475 920.50875 1178.57375 1326.934 1365.59675 1150.047 652.16875 439.21525 1726.06275 730.921 772.54125 444.9995 824.72175 3255.84825 1209.13925 1097.01775 1161.781 998.19725 576.533 618.90375 920.65425 1271.73825 1074.13275 1163.35075 547.5415 521.23275 755.6195 576.00775 812.9415 Lactulose 163619.118 150028.82 157410.172 187986.362 188442.929 193193.449 163979.346 174207.816 233529.033 187933.377 178390.355 122085.234 181269.282 151644.819 150419.785 160384.944 173571.0971 175826.906 128924.276 209737.456 128666.086 167435.854 171666.898 740608.988 184003.366 196507.706 250503.961 136172.169 155282.308 154285.889 174162.582 220377.865 199391.833 362122.8559 153805.997 Sucralose 9204.34525 11548.644 12562.7915 11410.70875 8620.298 20660.98475 9110.516 9697.17825 9840.846469 8731.63775 11901.17525 15938.5365 13991.25491 5735.908072 13167.544 12092.0385 14023.74297 8731.914 11186.31075 9939.762277 11734.2345 10830.593 10466.62025 22449.201 11841.80475 14549.90465 14550.93638 12316.10817 11740.0645 8898.69775 7851.9165 12618.2855 11271.59675 12840.23175 7716.03175 Rhamnose.1 229343.0598 205775.7725 234085.2753 185470.1595 166648.6128 253084.645 246093.651 259120.7905 220678.6075 327164.705 205401.1763 185593.5843 186501.794 103520.3088 145662.5249 238644.888 164663.6703 170628.1608 184446.7798 250997.08 172542.7448 196489.7263 188623.2158 160969.4078 204985.9852 174916.9578 234099.2933 240069.8543 228050.6893 204856.3865 188798.27 171889.1253 212494.4443 182067.2233 293439.6895 Rhamnose.2 3551.162 7054.83325 6293.17925 7110.514 7406.3035 8362.476 4972.76975 6915.25275 10789.621 5519.457 10386.5655 8431.6415 4829.8455 5353.84175 7887.166 9851.81825 5197.803245 7336.6425 8159.96075 5953.92675 5496.65675 6950.8675 4733.6125 7276.404 4913.52425 5302.1365 5708.0175 5737.958 4889.18825 5426.848 9795.736 6243.9035 13431.641 5370.244 6096.778 Urate 1305300.663 1984883.151 1553260.127 1603672.979 1331669.129 2177351.568 1480826.597 2615274.259 2686862.379 2447442.261 2388295.857 1287150.916 2066021.167 2120470.037 1455580.071 1745973.651 2037993.054 1549788.674 1900433.642 3490156.486 1269771.796 2058543.09 2196751.761 2245216.144 1898942.216 1760931.241 1387239.642 1889513.741 4305747.645 1935125.38 2234073.449 2341022.939 1524383.701 2181804.356 2557710.195 3HBUSE 308039.1296 398487.1797 313814.1535 318196.2135 207916.7424 479079.9382 280192.6627 707523.2637 597332.4478 700449.041 672495.9573 484700.539 402953.7173 205392.0995 531366.1362 464962.5138 360208.3134 299540.3293 269398.0033 548418.2137 309593.2049 379071.2677 368513.8773 463720.8685 550725.5292 629218.9371 757893.673 1119713.296 337032.1122 739905.0815 972816.8008 521885.7734 418571.3012 431254.9088 341510.2076 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 - Aconitate trans-Aconitic acid 444212 - 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