#METABOLOMICS WORKBENCH jeetp_20220803_110455 DATATRACK_ID:3382 STUDY_ID:ST002270 ANALYSIS_ID:AN003711 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Glucose metabolism during Xenopus Regeneration PR:PROJECT_SUMMARY Targeted metabolomics of Xenopus tropicalis to study glucose metabolism during PR:PROJECT_SUMMARY regeneration PR:INSTITUTE University of Washington PR:DEPARTMENT Biochemistry PR:LABORATORY Wills Lab PR:LAST_NAME Patel PR:FIRST_NAME Jeet PR:ADDRESS 1705 NE Pacific St., HSB J-Wing, J405, Seattle, Washington, 98195, USA PR:EMAIL pateljeet1224@gmail.com PR:PHONE 2065431748 PR:FUNDING_SOURCE Royalty Research Fund, 1R01NS099124 from NINDS PR:DOI http://dx.doi.org/10.21228/M81Q5B #STUDY ST:STUDY_TITLE Xenopus tropicalis glycolysis and PPP inhibition ST:STUDY_SUMMARY Stage 41 tadpoles were injected with 4 nmol of the glycolysis inhibitor, ST:STUDY_SUMMARY 2-deoxyglucose (2DG), or a tracer control to evaluate consequences of inhibition ST:STUDY_SUMMARY on metabolites 24 hours after treatment began. Similarly, tadpoles were ST:STUDY_SUMMARY incubated in DMSO control or 1 of 2 G6PD inhibitors (Dehydroepiandrosterone and ST:STUDY_SUMMARY g6pdi), to similarly assess the consequences of inhibiting the pentose phosphate ST:STUDY_SUMMARY pathway. We find that inhibition of glucose metabolism with 2DG results in a ST:STUDY_SUMMARY decrease in downstream glycolytic intermediates, confirming a reduction in ST:STUDY_SUMMARY activity of this pathway. G6PD inhibition was not as clear as changes were less ST:STUDY_SUMMARY consistent across treatments and downstream metabolites did not behave in a ST:STUDY_SUMMARY coordinated way, though impacts on other metabolic processes by these inhibitors ST:STUDY_SUMMARY may be fruitful for exploring how they perturb metabolism in the tadpoles. ST:INSTITUTE University of Washington ST:LAST_NAME Patel ST:FIRST_NAME Jeet ST:ADDRESS 1705 NE Pacific St., HSB J-Wing, J405, Seattle, Washington, 98195, USA ST:EMAIL pateljeet1224@gmail.com ST:PHONE 2065431748 ST:SUBMIT_DATE 2022-08-03 #SUBJECT SU:SUBJECT_TYPE Other organism SU:SUBJECT_SPECIES Xenopus tropicalis SU:AGE_OR_AGE_RANGE Stage 41-43 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 11 2DG1 Condition:2DG Replicate=1; RAW_FILE_NAME=2022-05-09_Wills-20-11_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-11_NEG.mzML SUBJECT_SAMPLE_FACTORS 16 2DG2 Condition:2DG Replicate=2; RAW_FILE_NAME=2022-05-09_Wills-20-16_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-16_NEG.mzML SUBJECT_SAMPLE_FACTORS 10 2DG3 Condition:2DG Replicate=3; RAW_FILE_NAME=2022-05-09_Wills-20-10_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-10_NEG.mzML SUBJECT_SAMPLE_FACTORS 17 2DG4 Condition:2DG Replicate=4; RAW_FILE_NAME=2022-05-09_Wills-20-17_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-17_NEG.mzML SUBJECT_SAMPLE_FACTORS 12 DHEA1 Condition:DHEA Replicate=1; RAW_FILE_NAME=2022-05-09_Wills-20-12_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-12_NEG.mzML SUBJECT_SAMPLE_FACTORS 1 DHEA2 Condition:DHEA Replicate=2; RAW_FILE_NAME=2022-05-09_Wills-20-1_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-1_NEG.mzML SUBJECT_SAMPLE_FACTORS 5 DHEA3 Condition:DHEA Replicate=3; RAW_FILE_NAME=2022-05-09_Wills-20-5_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-5_NEG.mzML SUBJECT_SAMPLE_FACTORS 18 DHEA4 Condition:DHEA Replicate=4; RAW_FILE_NAME=2022-05-09_Wills-20-18_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-18_NEG.mzML SUBJECT_SAMPLE_FACTORS 8 DMSO1 Condition:DMSO Replicate=1; RAW_FILE_NAME=2022-05-09_Wills-20-8_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-8_NEG.mzML SUBJECT_SAMPLE_FACTORS 20 DMSO2 Condition:DMSO Replicate=2; RAW_FILE_NAME=2022-05-09_Wills-20-20_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-20_NEG.mzML SUBJECT_SAMPLE_FACTORS 13 DMSO3 Condition:DMSO Replicate=3; RAW_FILE_NAME=2022-05-09_Wills-20-13_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-13_NEG.mzML SUBJECT_SAMPLE_FACTORS 6 DMSO4 Condition:DMSO Replicate=4; RAW_FILE_NAME=2022-05-09_Wills-20-6_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-6_NEG.mzML SUBJECT_SAMPLE_FACTORS 7 g6pdi1 Condition:g6pdi Replicate=1; RAW_FILE_NAME=2022-05-09_Wills-20-7_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-7_NEG.mzML SUBJECT_SAMPLE_FACTORS 3 g6pdi2 Condition:g6pdi Replicate=2; RAW_FILE_NAME=2022-05-09_Wills-20-3_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-3_NEG.mzML SUBJECT_SAMPLE_FACTORS 15 g6pdi3 Condition:g6pdi Replicate=3; RAW_FILE_NAME=2022-05-09_Wills-20-15_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-15_NEG.mzML SUBJECT_SAMPLE_FACTORS 9 g6pdi4 Condition:g6pdi Replicate=4; RAW_FILE_NAME=2022-05-09_Wills-20-9_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-9_NEG.mzML SUBJECT_SAMPLE_FACTORS 14 MR1 Condition:MR Replicate=1; RAW_FILE_NAME=2022-05-09_Wills-20-14_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-14_NEG.mzML SUBJECT_SAMPLE_FACTORS 2 MR2 Condition:MR Replicate=2; RAW_FILE_NAME=2022-05-09_Wills-20-2_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-2_NEG.mzML SUBJECT_SAMPLE_FACTORS 4 MR3 Condition:MR Replicate=3; RAW_FILE_NAME=2022-05-09_Wills-20-4_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-4_NEG.mzML SUBJECT_SAMPLE_FACTORS 19 MR4 Condition:MR Replicate=4; RAW_FILE_NAME=2022-05-09_Wills-20-19_POS.mzML; RAW_FILE_NAME=2022-05-09_Wills-20-19_NEG.mzML #COLLECTION CO:COLLECTION_SUMMARY Tadpoles were anesthetized with 0.05% MS-222 in 1/9x MR and tested for response CO:COLLECTION_SUMMARY to touch prior to tissue collection. Injections of miniRuby or 4nmol of 2DG were CO:COLLECTION_SUMMARY performed or tadpoles were incubated in media with DMSO, DHEA, or g6pdi/ 10 CO:COLLECTION_SUMMARY whole animals were collected at 24 hours post treatment, media was removed, and CO:COLLECTION_SUMMARY samples were frozen on dry ice immediately. CO:SAMPLE_TYPE Stage 43 tadpoles #TREATMENT TR:TREATMENT_SUMMARY Dihydroepiandrosterone (BioVision, 2172) was resuspended to a 1M stock in DMSO TR:TREATMENT_SUMMARY and g6pdi (Cayman Chemical Co., 31484) to a 10mM stock in DMSO. Tadples were TR:TREATMENT_SUMMARY reared with 0.1% DMSO, 25µM DHEA or 10µM g6pdi diluted in 1/9x MR until TR:TREATMENT_SUMMARY collection after a 24 treatment. For 2DG injections, wild type tadpoles at stage TR:TREATMENT_SUMMARY 41 were anesthetized with MS-222 and moved from culture dish to a thickly TR:TREATMENT_SUMMARY coasted agarose dish in one drop of media. Excess media was removed. Using a TR:TREATMENT_SUMMARY microinjector, a pulled needle containing vMO and labeled dextran tracer was TR:TREATMENT_SUMMARY inserted into the ventral tail vein and 2×2 nL of 1M 2DG (Sigma, D8375) were TR:TREATMENT_SUMMARY injected. Controls for 2DG experiments were injected with equal volumes of TR:TREATMENT_SUMMARY tracer. Embryos were returned to fresh media and screened for tracer TR:TREATMENT_SUMMARY fluorescence in the bloodstream. Injected animals were kept in 1/9x MR until TR:TREATMENT_SUMMARY collection after a 24 treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Aqueous metabolites for targeted LC-MS analysis were extracted using a protein SP:SAMPLEPREP_SUMMARY precipitation method similar to the one described elsewhere (Mathon et al., SP:SAMPLEPREP_SUMMARY 2019; Meador et al., 2020). Samples were first homogenized in 200 µL purified SP:SAMPLEPREP_SUMMARY deionized water at 4 ˚C, and then 800 µL of methanol containing 6C13-glucose SP:SAMPLEPREP_SUMMARY and 2C13-glutamate (reference internal standards) was added. Afterwards samples SP:SAMPLEPREP_SUMMARY were vortexed, stored for 30 minutes at -20 ˚C, sonicated in an ice bath for 10 SP:SAMPLEPREP_SUMMARY minutes, centrifuged for 15 min at 14,000 rpm and 4 ˚C, and then 600 µL of SP:SAMPLEPREP_SUMMARY supernatant was collected from each sample. Lastly, recovered supernatants were SP:SAMPLEPREP_SUMMARY dried on a SpeedVac and reconstituted in 1.0 mL of LC-matching solvent SP:SAMPLEPREP_SUMMARY containing 2C13-tyrosine and 3C13-lactate (reference internal standards). SP:SAMPLEPREP_PROTOCOL_FILENAME JPatel_LC-MS_Methods.pdf #CHROMATOGRAPHY CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters XBridge BEH Amide XP CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE JPatel_LC-MS_Methods.pdf #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS MS data acquisition was performed in multiple-reaction-monitoring (MRM) mode. MS:MS_COMMENTS LC-MS system was controlled using AB Sciex Analyst 1.6.3 software. Measured MS MS:MS_COMMENTS peaks were integrated using AB Sciex MultiQuant 3.0.3 software. The LC-MS assay MS:MS_COMMENTS was targeting 361 metabolites (plus 4 spiked reference internal standards). MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples 2DG1 2DG2 2DG3 2DG4 DHEA1 DHEA2 DHEA3 DHEA4 DMSO1 DMSO2 DMSO3 g6pdi1 g6pdi2 g6pdi3 g6pdi4 MR1 MR2 MR3 MR4 Factors Condition:2DG Condition:2DG Condition:2DG Condition:2DG Condition:DHEA Condition:DHEA Condition:DHEA Condition:DHEA Condition:DMSO Condition:DMSO Condition:DMSO Condition:g6pdi Condition:g6pdi Condition:g6pdi Condition:g6pdi Condition:MR Condition:MR Condition:MR Condition:MR 1C13-Citrulline 2_3-Dihydroxybenzoic Acid 2/3-Phosphoglyceric Acid 2-Aminoadipate 303164.6641 260188.3799 246610.0388 378807.1721 261752.1560 279338.4674 268810.4694 263238.5834 292999.6048 283037.4126 262563.7070 807667.0088 732755.0566 677487.1883 629155.4455 224322.8885 250201.4792 302039.5989 249288.2454 2-Hydroxyglutarate 2-Hydroxyisobutyrate/2-Hydroxybutyrate 218668.7138 208043.4022 201268.2255 200727.0524 379608.9425 343794.8871 326953.5498 366779.6293 312081.9051 320696.8370 307613.1081 275885.7279 234625.2220 263473.5455 240674.4461 303138.2488 278097.4252 304203.5668 279780.3082 2-Hydroxyisovaleric Acid 2-Hydroxyphenylacetate 2-isoPropylmalic Acid 2-Methylglutaric Acid 2N15-Urate 2N15-Xanthine 2-Oxobutyrate 2-oxo-Isocaproic Acid 3/4-Hydroxyphenylacetic Acid 3-(4-Hydroxyphenyl)Propionate 3C13-Lactate 14026242.2700 14076030.3000 14034621.7000 14200365.0400 14541403.7400 14852809.2000 14940860.2000 14243959.7800 14563188.8100 14681510.6150 14515026.9100 14787613.2600 15346698.8200 14204107.4000 14910173.2900 13836075.4500 14541385.2700 14599768.2100 13948974.3800 3HBA 275739.2967 335304.2822 279658.7811 223385.5503 709558.7950 646840.7435 601669.0536 621344.6379 549713.1728 760432.1720 669592.7844 371176.0277 355769.6778 324122.0485 279898.1474 510574.4851 489898.1320 583195.6243 621786.0463 3-Hydroxyanthranilic Acid 3-Hydroxycinnaminic Acid 3-Hydroxyisovaleric Acid 179650.9607 171063.6126 170477.6777 245963.3996 151548.2640 132243.9168 135777.2290 159361.9468 137246.8161 157188.9123 150543.3642 138108.1901 143227.2217 153071.8891 152213.7374 202762.8150 170543.9772 220888.1175 195043.1877 3-Hydroxypropionic Acid 3-Indoxyl Sulfate 3-isoPropylmalic Acid 3-Methyl-3-Hydroxyglutaric Acid 18331.0830 19851.7400 19889.5388 18332.8303 27403.9883 34181.8725 33264.0500 30999.3740 35257.3628 36541.5215 33065.2070 29380.3793 29845.6709 33090.3562 27939.8107 21370.3108 18419.3597 21788.5861 19454.0713 3-Sulfinoanaline 4C13-3HBA 4C13-Pentothenate 4-Hydroxy-3-Nitrophenylacetate 4-Hydroxybenzoic Acid 4-Pyridoxic Acid 5-Hydroxyl-Indole-3-Acetic Acid 5-Hydroxymethyl-2^-Deoxyuridine 5-Methyluridine 15861.8245 14303.5542 9477.7187 14416.7398 19212.9308 19673.8037 14012.2491 14258.4267 21731.5944 18951.4761 17124.4992 17354.3190 20173.5546 21366.4249 20111.6143 12108.0757 17841.9484 11746.1960 15325.9018 6C13-Glucose 5036422.1370 5053872.7200 5285572.1540 5328406.7580 5368704.7340 5300491.1280 5304353.8370 5016832.2290 5429100.7210 5203384.2705 5081674.7680 3555010.1760 5438345.0320 5380433.9340 5380553.5810 5479347.1900 5138853.1020 5232969.6620 4893176.1930 6-Phosphogluconic Acid Acetylphosphate 193099.7953 202503.2337 203921.6074 198476.5226 95164.4747 108801.4890 102854.3956 87117.9739 89779.2598 89148.0571 91185.1272 95211.6830 109001.4241 92930.9993 102524.7693 84885.8658 111242.6807 95235.3324 87470.9361 Adenine 1169475.7390 2336934.3580 1728897.2530 1816868.7170 7215852.6230 7380263.9160 6047797.1660 7024863.6580 6712717.8870 6713425.9485 6622062.9730 6406226.4270 7310007.9870 6935508.7880 7222499.4870 1903118.1710 2883106.0830 3262476.3130 2581870.4890 Adenylosuccinate 123661.8264 124654.6223 150659.1049 123894.7380 76724.5873 85589.5910 108265.0575 81597.0419 78656.0317 70947.1663 95209.6052 81052.7660 81093.0716 91601.8350 85026.3753 110853.9463 122825.4028 131062.5414 127190.6332 Adipic Acid / 3-Methylglutaric Acid ADP Allantoin 11663.3030 20875.9295 14535.6798 11581.1085 15931.8242 11096.3339 11097.3842 11290.1513 8113.7644 9538.2233 9689.5909 9357.9651 5472.6866 6998.5682 11389.5859 12138.2464 15105.3318 16217.1824 17581.1665 Allopurinol Alpha-Ketoglutaric Acid 676003.3306 652400.1172 618399.7433 540072.7246 405264.2098 499253.0286 390217.5700 405349.9856 401641.9998 379829.5083 361126.8107 255176.3756 234009.2322 229929.2633 324585.6048 629932.5769 801088.7744 672855.0402 631968.2762 alpha-Ketophenylacetic Acid alpha-Tocopherol AMP 424502.1311 502625.6771 347875.6977 534455.5081 863873.1256 924919.2084 1447133.7970 997428.6140 603143.9411 600251.3621 790880.5507 547370.4663 642382.7350 562630.8734 779502.9460 581566.7917 859711.3793 1322620.3190 2209369.2940 Anthranilic Acid 5689.1853 21755.9035 18390.5534 35351.6767 14205.7063 17458.7743 10199.2982 15464.3422 21820.7009 18009.8739 16320.5219 42245.8742 10652.8262 43115.1894 171162.5896 6307.7318 9796.8049 19385.7672 12685.1603 Arabitol/Xylitol 46887.2686 53115.0345 53739.3320 56955.5310 46347.4082 56591.9980 55008.9411 51854.9150 46181.8206 52310.9182 48858.0989 98048.4721 94251.8263 97391.0852 90885.2846 65500.8240 56956.8533 60346.2740 61274.4463 Arachidonate 1830654.2140 1728264.9920 1883499.7240 1782255.2280 2170663.1010 2421137.0660 2439720.9020 2202967.8760 2306912.5150 2263197.9390 2178067.6620 2439294.7010 2497854.7090 2524216.6090 2606316.1060 1729917.5430 1837380.2310 1705226.2660 1614228.9890 Ascorbic Acid (Vit. C) ATP Azelaic Acid 183720.9036 198903.0040 207032.4507 177534.6567 175930.6098 180293.4371 217226.1518 215991.7507 179206.2192 250926.5850 244508.7200 224013.0570 227331.0106 204067.7156 245671.1298 231789.0270 214536.8808 507625.8555 224284.1886 beta-Muricholic Acid Biotin cGMP 8378.6338 13144.6464 12241.9894 11801.0094 10626.9970 9612.8215 21275.4007 13183.1671 10033.6688 8206.9133 18883.9095 9162.7263 9347.3383 16608.2986 10855.1417 9093.5810 12685.8703 11591.3931 5509.5567 Chenodeoxycholate Cholesteryl Sulfate 1113553.1590 1131194.4570 1206993.4450 1186485.8900 778758.8368 892592.6357 875051.5295 785511.9144 711207.8777 882973.5475 916995.0181 937060.5917 984246.9859 854002.9292 1007851.3690 1096920.4470 1203583.6790 1095882.2720 1007935.5320 Cholic Acid cis-Aconitate 116312.4733 120022.3871 123177.5984 122886.5478 191032.6500 209678.8941 261510.1642 176893.6951 200624.1856 184813.3974 202383.7554 162610.9368 163073.5804 156523.2000 187398.8160 87001.2274 125830.4937 81570.9406 128544.2985 Citraconic Acid 113340.4903 114527.3574 96089.0638 111042.7569 101003.4211 88619.3920 96534.4198 91019.6576 102627.1944 107387.2860 100948.7961 109502.9917 120857.4551 118962.7192 118998.2405 103724.2232 108014.6541 115321.6183 97834.1489 Citramalic Acid Citric Acid Citrulline 465937.3489 376721.8723 340333.2118 322575.0819 428509.1958 477164.7182 430699.4002 437499.9478 440655.5512 436705.1767 442943.0245 532385.7556 538093.7753 538561.6294 551951.7108 333235.5525 375513.3352 395444.9761 405221.6208 CMP 91109.2900 85208.6331 87107.2425 86549.2830 82354.6616 94568.2534 86844.0227 86942.9049 86940.3200 94347.6805 87381.0005 148890.4982 157799.0223 145566.8195 152816.9336 80833.3177 97365.2546 82965.9104 81610.4018 Cortisol CTP Cystathionine 77015.8750 63791.3615 72790.7946 56597.8005 159832.7925 178717.3468 160829.0371 193413.8974 150346.3656 138988.8147 137407.8597 208103.3474 189562.5420 199487.2784 198442.5272 62971.6402 79227.2798 67469.3709 59253.8129 Cysteine-S-Sulfate DATP DCDP DCMP dCTP Deoxycholic Acid DHAP/D-GA3P 1449183.0850 1197921.6760 1473785.5440 1272548.1090 1748465.3550 2319338.7650 2028408.5640 1709581.2470 2310478.2150 2160115.6310 1412497.5590 2166466.4120 2099789.2480 1881477.2500 2432789.0990 1568448.6680 1925336.8470 1318575.3700 1244291.3360 D-Leucic Acid Dopamine DTMP 66837.1228 76074.4678 61001.0761 62027.8023 60615.0382 54805.7981 78344.8496 55966.5425 63246.8875 61309.6918 58663.7247 65032.8866 64295.7810 61271.3015 66428.4182 55575.2788 59772.2608 52399.6553 52860.2228 DUMP DUTP Erythronic/Threonic Acid Erythrose Erythrose-4-Phosphate 1046461.7650 1039429.0090 1096484.9580 932050.3010 26574.1973 29761.7728 26971.8851 31456.6450 26209.2414 30718.5203 28394.1081 29815.8924 26738.6333 27211.3095 25476.5515 22601.7881 27182.8979 22033.2496 25177.2637 Ethylmalonic acid F16BP/F26BP/G16BP Fructose Fumaric Acid G1P/F1P/F6P 2812501.1690 2595678.5850 2937460.0880 2753849.7910 3782021.7890 4120613.8940 3840070.9780 3531003.1520 4092917.8790 4233555.1790 3573586.1110 3746467.8020 3719969.1710 3480273.9420 3355216.2120 3811763.4410 3542049.7750 3349726.9540 3169060.7370 G6P 13801292.6100 12684439.7600 14194176.1700 12811671.2300 17984130.5600 18970834.1100 16147652.7100 16445764.9700 19295862.3300 19498477.5050 15737755.2800 17787437.8800 17225256.9400 15706259.6200 15925209.1300 18288213.2700 16423761.2700 16243148.8200 14269776.7800 gamma-Aminobutyrate 36123.5730 36810.3329 38421.8605 37924.3448 43823.9064 51261.6642 49059.1838 41758.4014 50668.8589 50799.5452 49338.2733 37543.1681 39221.6450 38968.7957 42042.7934 43933.1443 44719.8073 47108.7531 46765.8094 gamma-Tocopherol GDP Gentisate Geranyl Pyrophosphate Gibberellin Glucoronate 51140.6426 52500.1706 52934.8424 57530.1084 90266.4800 106346.2744 88889.0960 81639.8742 79140.5509 93485.3577 81066.3557 77492.8542 81023.7462 76806.2222 79289.0341 65168.0663 87233.9672 75334.2614 71051.6541 Glucosamine-6-Phosphate 13271.3580 18179.7362 16331.8408 25538.6826 18324.7011 12824.0535 10856.7577 15170.5649 19776.5408 17040.4305 16201.5589 11462.0681 9359.1237 10298.3798 10462.1196 12742.1552 20266.2014 25613.8731 23676.6559 Glucose 702274.5518 556156.2356 654738.8200 639084.6630 960927.7842 938785.7720 1080682.9820 974474.3220 982723.2659 979412.1962 905319.0101 992560.7942 927334.9098 900637.0643 984628.0747 1020094.7310 886714.1916 829679.8200 785366.1393 Glutaric Acid 41379.5290 44376.0062 29904.9757 51548.1700 47551.9501 43933.9518 46413.8988 39223.8816 47425.7768 43182.9720 45039.7890 49084.6935 51468.6833 44188.0589 37416.9468 33689.5127 52100.1157 66581.9719 37529.7827 Glyceraldehyde 24984.5818 21112.1565 24374.9327 24376.3298 33838.3092 32510.0618 33536.1756 38030.4925 29893.8600 37176.5722 31815.6154 39336.6344 37604.7590 34197.3787 34015.4550 35460.5706 32925.6163 27101.7681 24713.3867 Glycerate Glycerol-3-P 730283.0361 921029.5330 773309.9942 843179.8286 1145980.3190 1108759.3690 989694.3781 977098.2880 1200836.9740 1076326.5080 876598.1920 1203332.5270 1232424.4700 1139629.1210 955857.8104 887344.0630 927019.6277 1121931.8400 984950.6261 Glycochenodeoxycholate Glycocholate Glycolic acid GTP Guanidinoacetate 22904.9497 24259.0863 33675.1776 25783.1282 81643.8130 81706.0086 83886.9467 83501.1889 94392.8758 85600.5950 79550.7492 116653.7035 118227.9391 105050.2011 121796.5033 33358.7492 42647.7994 47117.1744 42988.3161 Hippuric Acid Homogentisate 105351.4153 114256.5871 118126.9139 102517.0957 142932.0074 131975.6097 301355.1665 182245.6631 140589.8936 171852.8156 212400.6381 231532.7307 181384.4723 206787.0858 165772.2478 78288.3196 65573.4913 55674.2082 53633.1451 Homovanilate Hydrocinnamic Acid Hypoxanthine 51302563.5500 49912164.3100 55511999.7400 49965589.4600 36293224.3100 39531989.1900 27012334.1900 30681724.6900 37424595.6000 35724226.5700 30470437.0700 35192353.4800 34151932.2900 31742854.4700 37122416.0700 52739554.2900 54142824.9700 50207555.8200 48251645.6600 IMP 23226952.6100 23479203.7600 22204932.6600 25291797.7200 33434124.3500 35576159.1700 36949407.9500 33664579.9700 35877042.8100 34442867.3650 34830082.8200 36026261.9000 37362320.6000 36075719.3600 36897609.5900 28827992.8200 33883199.7600 32089607.6400 30029435.9400 Indole-2-Carboxylic Acid 25848.3619 26849.2109 22538.1031 25659.8515 19838.2747 21081.9116 24691.1736 26015.5721 24065.5762 23955.6066 27622.1045 26546.6708 28714.1854 29252.0220 31643.9109 17676.7056 15498.9896 15026.4791 15537.2598 Indole-3-Acetic Acid Indole-3-Carboxylic Acid 24011.4732 21077.8478 27095.1360 21807.1935 26484.8967 23971.4322 28875.9527 28206.5191 23449.4539 24504.5950 24867.6796 29544.6902 31532.1491 29394.0275 31617.4904 19452.8293 19995.9367 19296.7230 13350.2027 Indole-3-Lactate Indole-3-Propionate IndolePyruvate Inositol 207439.9309 201753.1274 218265.9614 169355.9245 568561.7510 573657.5584 540653.7209 540603.4750 545509.6484 559245.0993 550160.9076 485376.1808 472799.1406 446974.8856 467017.7889 537441.4887 582101.2358 522764.4605 546023.2612 isoValeric Acid /3-Oxobutanoate/4-Oxobutanoate 61041.5788 68093.3310 63281.8587 69252.4953 70897.5247 67302.5663 78701.3781 66661.9568 62133.1662 70542.2809 69609.0737 71419.9603 64826.7741 68308.4601 73561.5622 60964.5770 61454.5935 60817.0922 60923.1126 Itaconic Acid 1035028.4000 678527.6650 1016469.9800 662958.4037 77587.8694 38377.5444 69361.9000 46942.9914 153775.8846 162117.5215 120454.9307 75588.7779 78289.8070 69904.7136 56781.9057 479974.7323 286082.7758 349990.0742 306471.6690 Kynurenic Acid 1422431.0780 1421357.5980 1455321.0770 1469393.6450 1383920.0050 1358175.5280 1417570.4280 1459459.9050 1372695.1910 1427374.0540 1430256.7100 1322918.8150 1391842.3500 1439571.8560 1478922.1520 1407513.4580 1403576.0040 1424455.5380 1513657.1030 Lactate 974889.3944 1088874.8800 1080933.4690 841719.3735 2546159.5380 1825070.8850 2169373.8760 1838985.2890 2256917.1720 2310323.9805 1823769.2570 2579371.9520 2709118.7450 2451752.2890 1760972.3630 1921500.4530 1069523.6150 2045160.0710 1504871.0790 Lactose/Trehalose 498995.9511 518671.6198 587692.7828 568056.9262 189638.2430 221538.8048 195744.4709 195557.3900 170903.1465 181998.2136 185693.9410 194289.1260 243141.3948 222255.3654 230205.7999 555862.8132 650878.8008 587557.0496 498598.9858 Linoleic Acid 3534934.0940 3415794.4570 3664297.8370 3170019.6840 4434383.5560 4388734.9030 4809814.4660 4297120.3950 4476552.1910 4300063.3560 4441697.0700 4622189.1990 4426159.5940 4804493.5620 5181448.1220 3094899.7670 3604697.6240 2812620.0900 3092649.5290 Linolenic Acid 474177.7782 435799.5817 481729.1959 444674.8296 550509.6109 490621.5241 543532.1016 487982.1770 551289.4300 529785.6482 513224.1432 515854.1604 525090.1491 520882.0087 577722.0539 415930.3269 423606.2961 399409.1157 402175.8892 L-Mandelic Acid L-Tartaric Acid Malate Maleic Acid 35655.6654 29764.7652 51495.3256 44062.7356 116310.0790 38871.6565 150480.0441 65574.8310 72307.8193 40645.2971 77221.0550 363309.9093 63956.1031 154251.5828 171408.8509 54821.3379 46211.1328 78623.5414 48852.8241 Malondialdehyde 22498.7846 23871.8613 17532.8332 19645.0671 18763.1288 26412.4613 14926.9771 22228.9656 15418.1254 21084.5926 22234.6020 20874.2026 16917.1789 17796.8132 21025.4507 27430.7939 24938.1533 21619.6808 21118.4285 Malonic Acid Mannitol Mannose Margaric Acid 41320.2819 38953.3242 39875.6994 40036.7910 40808.9430 44943.7714 61466.6410 41407.9990 38387.8039 43540.4688 48483.3584 47003.1097 43387.1946 43590.4299 51904.4488 42951.2491 46483.6346 47274.2966 42743.2616 Melatonin Methylmalonate 37214.0579 40121.5320 39336.3484 29400.6191 57685.9543 62255.8792 64603.7964 66876.3070 56771.7745 62961.5678 60183.7905 53088.1485 61901.9365 58539.5452 47384.0839 48504.1338 61388.2555 32980.4890 55376.4199 MethylSuccinate 25512.1329 22767.0236 20067.7789 22791.7536 12172.7226 5453.5913 8886.5902 10835.5091 14454.5585 11219.3097 10543.6798 12896.4211 14440.4619 9008.2395 10077.8383 16617.7595 21360.8687 22874.8402 14626.0658 Mevalonate MOPEG Sulfate Myristic Acid 54959.8982 46026.2947 51085.6832 49047.4762 51147.0416 57407.3178 62305.9839 53264.6086 68451.1034 57395.3828 68523.1459 75142.7983 66040.1428 62654.1041 67047.3743 50134.2051 52799.7817 54070.1305 38982.0979 N-Ac-Alanine 302594.1208 272268.6170 314960.5165 252964.8372 238903.3041 249650.8044 257475.5039 247339.5633 257565.4638 259190.4530 259657.3784 246630.9606 237241.1783 245281.0508 234466.7216 294466.8732 278100.9805 247477.8973 242357.3002 N-Acetyl-Aspartate (NAA) 4976734.7610 4340763.9240 5086243.3930 4442975.3470 3388775.2380 3779869.3850 3651268.3710 3087375.5650 3432644.5420 3293925.7140 3314769.3060 3279870.9950 3344220.6190 3414975.6020 3522238.6700 5100296.2200 5299016.5960 4587146.7730 4698801.2320 N-Acetyl-Aspartyl-Glutamate (NAAG) 10300888.2900 9957668.6750 10783090.3500 10409729.8500 9405155.1000 9491717.0330 10596651.1300 8855088.5700 9908179.5280 9701463.3150 10024006.3100 11122327.5500 11337918.7100 10980973.4700 11061608.7700 10981433.8300 12395772.7600 10837368.6400 10552462.4800 N-AcetylGlycine 15061.7527 14991.0900 13530.4187 14841.3085 11962.9760 16318.3598 10784.2210 13353.6739 11557.1223 12836.4807 10132.7025 15130.6591 14021.7990 15867.3285 15178.6470 14363.2418 17979.8527 17517.7747 13459.7162 N-Acetylneuraminate 1065547.7820 1116412.5900 1051506.2960 1106598.4730 1067313.3570 1242428.9200 1358166.5400 1121503.5170 1227231.0780 1097136.6270 1195172.5700 1207311.9230 1191938.2720 1221720.6740 1142324.0300 1044184.6250 1161076.8310 1102306.2770 1007034.3550 N-Ac-Glutamate 100827.4767 91462.9456 113186.8017 89521.7192 89575.8143 98542.4385 86912.5061 75973.8646 79049.1623 91554.0909 79819.6911 119822.7200 108850.9593 108479.5150 115050.0814 103204.8836 107708.6039 93637.3905 83166.5047 N-Ac-L-Glutamine 11810.8793 14211.8209 13129.2284 10843.8955 15631.9912 17706.9857 14954.9279 13337.2315 17256.3464 15247.9674 14469.3333 16926.1781 19398.2788 19530.4865 14572.5746 10470.9795 12542.7597 10891.7928 12401.9349 N-Ac-Methionine N-Ac-Phenylalanine N-Ac-Tryptophan N-Ac-Tyrosine 72491.9114 81582.2923 70277.5233 69252.8601 165134.9564 163409.1933 156118.3070 153880.3751 154884.5669 160124.2800 161190.8938 135447.1107 160715.2001 159537.2983 159423.4322 77294.3609 96467.6133 75816.2594 65257.4530 NADH NADP N-Carbamoyl-B-Alanine n-Formylmethionine 23936.7557 28987.6205 22284.6917 24163.5711 22970.2236 20722.0322 23288.7500 22809.3501 20819.8135 22104.7658 18871.4150 24067.5589 20376.4552 19991.2926 22238.0081 26685.3990 21568.9307 32264.4850 24668.8134 Nicotinic Acid n-isoButyrylglycine n-isoValerylglycine OH-Phenylpyruvate o-Phosphoethanolamine 1591188.4170 1699492.4180 1625834.8810 1653007.4220 1693936.7240 1964175.3140 1822511.5600 1651560.7490 1757945.5860 1881544.9985 1799351.7010 3064362.4890 2938081.8220 2965143.6110 2855768.5760 1737538.3570 1765261.3250 1656919.5110 1725384.8040 Orotate 111676.1944 87446.8156 79225.2820 81416.6277 294889.4406 245579.9387 291368.2394 259896.0712 304495.7336 324711.3626 266555.0534 159032.8452 181083.8867 138499.7980 151571.2037 115418.6290 86863.4520 124792.7323 89721.8600 Oxalacetate 84692.7336 79218.8572 73340.8302 84810.8994 86293.8813 90478.7101 92165.3426 86886.9863 85614.7831 87763.1383 89967.5154 90758.4202 86790.5456 88647.6300 88594.7649 93867.3671 86171.5860 93662.5991 87193.7966 Oxidized Glutathione 1680805.2980 1573611.2340 1846863.4620 1710111.8470 2672062.4510 2889284.2510 2480171.9700 2477816.5270 2424770.8250 2805563.2875 3198318.0210 2237108.2610 2331594.9750 2589376.9460 2406584.7540 2035170.8140 1302851.6010 1399633.6040 1501372.9660 Oxypurinol Palmitic Acid 335495.7393 364694.0350 354670.1724 350258.8773 493345.7879 561991.7924 616733.8475 514541.1960 581787.8902 527560.3082 519074.8867 569585.2381 562720.5786 582032.8558 628191.2108 329837.3604 339316.5833 282564.5346 319591.6611 p-Coumaric Acid Pentothenate 1130110.8220 1145896.0810 1202454.8780 1076467.2530 2162119.3260 2320699.5700 2199666.2150 2140333.1360 2201293.0420 2118785.6615 2200217.2130 2729900.2280 2572949.7810 2768704.9230 2705606.6750 998383.8572 1060890.4760 1015173.6680 974055.8871 PEP 104851.5719 87151.1697 101911.7526 87528.5263 79309.5604 128620.1268 69802.9127 73528.1867 95846.7259 80444.5964 59913.7564 90529.7164 114766.5981 103179.3313 128280.1763 102063.8791 149522.3465 84989.5623 110151.8737 PGE Phenylacetic Acid 7418.4528 5333.2991 7216.6814 4869.2687 14429.3035 13653.5514 13652.0998 13358.4849 10372.7332 13878.2504 14178.1240 22966.5358 22881.3451 19999.4893 22585.6644 7408.2746 5966.3667 4969.8896 4319.7402 Phenylacetylglutamine Phenyllactic Acid Phosphoadenosine Phosphosulfate Phosphoserine Picolinic Acid PPA PRPP Pseudouridine 1264266.0310 727729.3353 1024964.0380 1322588.6400 89929.2597 95606.0305 99828.0739 101576.6913 85508.5370 94794.2414 82775.4390 171239.1749 164708.8908 152395.4044 172107.7070 1394270.4370 2232899.6650 371826.6536 765206.7580 Pyridoxal-5-P Pyruvate 43448.0380 43229.4342 29945.2315 49072.5655 45889.9097 44432.9917 47256.6513 43196.5281 39748.7490 24696.3140 37638.0300 37990.4833 42703.1963 54706.7543 60564.4122 29114.7084 38335.7063 49732.8015 31125.1676 Quinolinic Acid Reduced Glutathione 13974272.6400 14594575.7000 12592273.2600 13244993.1700 22356149.1400 24037533.6200 26550246.1100 23322898.7400 25159587.3500 21787728.4000 22453403.2700 17041969.4900 19525168.0200 16278445.8100 17753037.1900 14034344.2400 18498409.0900 17117495.7200 16233081.3000 Retinoic Acid Ribose-5-P 5023916.0970 4599589.9510 5365723.7790 4808539.2110 5149124.7990 6282965.4510 5167454.2580 4893536.9780 5602964.7990 5369508.4035 4627604.6040 5910406.1580 5958045.8040 5433073.8760 5995208.5440 4839036.8120 6363776.9440 5245230.6800 4812333.9600 Ribulose 5-Phosphate 2470742.2400 2426062.9970 2716268.0370 2181831.0770 2237394.3170 2737607.9400 2037700.7290 2008761.4280 2500397.7780 2332271.8050 1863121.9360 2593333.1670 2739292.4190 2405309.2690 2628237.6510 2231110.9450 2807049.5800 2225263.4190 2147385.1030 Sedoheptulose 7-Phosphate 2115830.4170 1930523.9070 2244680.4940 2009427.0630 1776060.8370 1919160.0630 1436627.9600 1579381.0000 1847581.7430 1905376.7785 1562078.3940 1832588.6000 1689617.2760 1547769.5600 1719941.9420 2281427.6910 2128482.1180 2128474.6220 1968123.5490 Shikimic Acid Sorbitol 65000.3525 68998.3801 69748.6569 68156.5630 247576.9806 224154.6820 220212.6034 239146.5535 227929.0150 224953.4704 238874.4416 220290.1013 223459.3044 255290.3513 260438.8183 80357.7070 65938.2845 63706.5844 73541.5676 Suberic Acid 81159.0719 77903.4944 100484.3769 72526.2848 94821.1888 70789.4057 87660.3023 73514.5712 72577.4138 98416.9659 115986.9059 87474.9485 109444.3200 68766.8604 106064.9438 118420.9036 101614.1703 334532.2811 87984.5388 Succinate 590149.6233 574902.0167 557482.7382 502226.8536 823683.7959 784218.7785 968269.5754 802894.1630 734503.3568 859517.6660 807957.6302 575146.9384 617604.9358 540352.1129 456261.1718 582801.3161 615462.4604 736088.5812 573767.2963 Sucrose 62665.2015 121828.8017 73503.0026 76160.4662 161864.3764 177927.4453 176334.3731 161467.3927 173642.0976 166014.3008 171891.7590 196880.4263 187175.8548 181545.5673 219687.1527 70877.2504 76145.9493 67028.4439 66039.6864 Tauro-alpha/beta-Muricholic Acid Taurocholate Tetrahydrobiopterin Theophylline Threitol Thymidine 458973.9818 640942.1845 495955.8142 657932.3337 535588.4781 617011.9804 421002.3339 472375.0414 609983.3630 504507.6324 455623.1804 548265.4592 641483.5079 521614.3941 645724.4980 361348.4388 568098.0392 474152.8631 522529.2145 Thymine trans-Aconitate TTP UDP UDP-GlcNAc 1235852.7980 1189711.7200 1197179.3710 1275049.4170 1927765.1830 2020191.2020 1710078.2170 1789707.0020 2001269.7190 1904900.0975 1754269.1460 3157819.9450 3398161.8120 3308989.1410 3147492.6000 1790590.2300 1978023.7240 1857112.9330 1923158.2000 UDP-Glucose 2034881.0060 2489273.8620 2218330.5740 2239214.7740 977896.0865 978251.2308 1339104.9880 1135935.7750 959753.4713 962233.0208 1082495.6390 964485.5714 1150915.7320 858084.1529 1190110.6260 1549246.9610 2049256.8590 1902828.9550 1919274.9010 Uracil 4996258.1180 3510954.0270 4553308.1860 3647872.1440 3254923.1630 3356553.6260 3357996.3950 2984443.7450 3506202.8400 3768972.3905 3373696.0960 3920071.8840 3223135.2310 3626277.4250 3218664.8140 5236723.2160 3429072.1350 3601295.9120 3644231.7260 Urate 7174.7914 5448.9294 2436.5457 6455.9161 11882.2852 13962.8323 31396.9427 16514.7610 24506.2095 13838.8476 17360.3290 4308.5379 11450.5050 9220.9434 7708.6026 17328.8154 14697.3901 17500.5085 14414.2980 Vanilmandelic Acid Xanthine 5621581.7060 5922501.4550 6395734.6320 6069384.4910 4059455.2160 4701424.7090 3389610.7360 3680221.3580 4312565.0850 4158387.3185 3914941.5700 3687588.6920 3797319.0730 3668884.5830 3855203.4390 5787074.4130 6534739.8530 5587614.8970 5890776.6010 Xanthosine 196628.3440 180088.0608 203616.8916 176423.7319 105196.5244 123657.6333 136414.6827 123849.0480 119600.2134 122682.2611 133838.8114 118477.0647 112740.6954 114861.5573 113171.1034 184869.5870 169694.7144 165699.5170 149692.5746 Xanthurenic Acid Xylonate 19375.6591 16998.4295 15734.9912 15398.1047 6127.0338 10969.0229 8573.7931 15040.1011 13280.0179 11554.4899 7562.8958 10854.1330 6480.7913 11945.7297 15678.0902 16348.4675 24265.8866 15147.2494 15603.2908 Xylose MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1C13-Citrulline 2,3-Dihydroxybenzoic Acid C00196 2/3-Phosphoglyceric Acid C00197/C00597 2-Aminoadipate C00956 2-Hydroxyglutarate C02630 2-Hydroxyisobutyrate/2-Hydroxybutyrate N/A 2-Hydroxyisovaleric Acid N/A 2-Hydroxyphenylacetate C01983 2-isoPropylmalic Acid C02504 2-Methylglutaric Acid N/A 2N15-Urate 2N15-Xanthine 2-Oxobutyrate C00109 2-oxo-Isocaproic Acid C00233 3/4-Hydroxyphenylacetic Acid C05593/C00642 3-(4-Hydroxyphenyl)Propionate C01744 3C13-Lactate 3HBA C01089 3-Hydroxyanthranilic Acid C00632 3-Hydroxycinnaminic Acid C00811 3-Hydroxyisovaleric Acid C20827 3-Hydroxypropionic Acid C01013 3-Indoxyl Sulfate N/A 3-isoPropylmalic Acid C04411 3-Methyl-3-Hydroxyglutaric Acid C03761 3-Sulfinoanaline C00606 4C13-3HBA 4C13-Pentothenate 4-Hydroxy-3-Nitrophenylacetate N/A 4-Hydroxybenzoic Acid C00156 4-Pyridoxic Acid C00847 5-Hydroxyl-Indole-3-Acetic Acid C05635 5-Hydroxymethyl-2'-Deoxyuridine N/A 5-Methyluridine N/A 6C13-Glucose 6-Phosphogluconic Acid C00345 Acetylphosphate C00227 Adenine C00147 Adenylosuccinate C03794 Adipic Acid / 3-Methylglutaric Acid C06104/NA ADP C00008 Allantoin C01551 Allopurinol D00224 Alpha-Ketoglutaric Acid C00026 alpha-Ketophenylacetic Acid C02137 alpha-Tocopherol C02477 AMP C00020 Anthranilic Acid C00108 Arabitol/Xylitol C01904 Arachidonate C00219 Ascorbic Acid (Vit. C) C00072 ATP C00002 Azelaic Acid C08261 beta-Muricholic Acid C17726 Biotin C00120 cGMP C00942 Chenodeoxycholate C02528 Cholesteryl Sulfate C18043 Cholic Acid C00695 cis-Aconitate C00417 Citraconic Acid C02226 Citramalic Acid C00815 Citric Acid C00158 Citrulline C00327 CMP C00055 Cortisol C00735 CTP C00063 Cystathionine C02291 Cysteine-S-Sulfate C05824 DATP C00131 DCDP C00705 DCMP C00239 dCTP C00458 Deoxycholic Acid C04483 DHAP/D-GA3P C00111 D-Leucic Acid C03264 Dopamine C03758 DTMP C00364 DUMP C00365 DUTP C00460 Erythronic/Threonic Acid NA/C01620 Erythrose C01796 Erythrose-4-Phosphate C00279 Ethylmalonic acid N/A F16BP/F26BP/G16BP C00665/C00354/C01231 Fructose C00095 Fumaric Acid C00122 G1P/F1P/F6P C01094/C00085/C00103 G6P C00092 gamma-Aminobutyrate C00334 gamma-Tocopherol C02483 GDP C00035 Gentisate C00628 Geranyl Pyrophosphate C00341 Gibberellin C01699 Glucoronate C00191 Glucosamine-6-Phosphate C00352 Glucose C00031 Glutaric Acid C00489 Glyceraldehyde C00577 Glycerate C00258 Glycerol-3-P C00093 Glycochenodeoxycholate C05466 Glycocholate C01921 Glycolic acid C00160 GTP C00044 Guanidinoacetate C00581 Hippuric Acid C01586 Homogentisate C00544 Homovanilate C05582 Hydrocinnamic Acid C05629 Hypoxanthine C00262 IMP C00130 Indole-2-Carboxylic Acid N/A Indole-3-Acetic Acid C00954 Indole-3-Carboxylic Acid C19837 Indole-3-Lactate C02043 Indole-3-Propionate N/A IndolePyruvate C00331 Inositol C00137 isoValeric Acid /3-Oxobutanoate/4-Oxobutanoate C5H10O2/C4H6O3/C4H6O3 Itaconic Acid C00490 Kynurenic Acid C01717 Lactate C00186 Lactose/Trehalose C00243 Linoleic Acid C01595 Linolenic Acid C06427 L-Mandelic Acid C01984 L-Tartaric Acid C00898 Malate C00149 Maleic Acid C01384 Malondialdehyde C19440 Malonic Acid C00383 Mannitol C00392 Mannose C00159 Margaric Acid N/A Melatonin C01598 Methylmalonate C02170 MethylSuccinate N/A Mevalonate C00418 MOPEG Sulfate N/A Myristic Acid C06424 N-Ac-Alanine N/A N-Acetyl-Aspartate (NAA) C01042 N-Acetyl-Aspartyl-Glutamate (NAAG) C12270 N-AcetylGlycine N/A N-Acetylneuraminate C00270 N-Ac-Glutamate C00624 N-Ac-L-Glutamine N/A N-Ac-Methionine C02712 N-Ac-Phenylalanine C03519 N-Ac-Tryptophan N/A N-Ac-Tyrosine C01657 NADH C00004 NADP C00006 N-Carbamoyl-B-Alanine C02642 n-Formylmethionine C03145 Nicotinic Acid C00253 n-isoButyrylglycine N/A n-isoValerylglycine N/A OH-Phenylpyruvate C01179 o-Phosphoethanolamine C00346 Orotate C00295 Oxalacetate C00036 Oxidized Glutathione C00127 Oxypurinol C07599 Palmitic Acid C00249 p-Coumaric Acid C12621 Pentothenate C00864 PEP C00074 PGE C00584 Phenylacetic Acid C07086 Phenylacetylglutamine C04148 Phenyllactic Acid C05607 Phosphoadenosine Phosphosulfate C00053 Phosphoserine C01005 Picolinic Acid C10164 PPA C00166 PRPP C00119 Pseudouridine C02067 Pyridoxal-5-P C00018 Pyruvate C00022 Quinolinic Acid C03722 Reduced Glutathione C00051 Retinoic Acid C00777 Ribose-5-P C00117 Ribulose 5-Phosphate C00199 Sedoheptulose 7-Phosphate C05382 Shikimic Acid C00493 Sorbitol C00794 Suberic Acid C08278 Succinate C00042 Sucrose C00089 Tauro-alpha/beta-Muricholic Acid N/A Taurocholate C05122 Tetrahydrobiopterin C00272 Theophylline C07130 Threitol C16884 Thymidine C00214 Thymine C00178 trans-Aconitate C02341 TTP C00459 UDP C00015 UDP-GlcNAc C00043 UDP-Glucose C00029 Uracil C00106 Urate C00366 Vanilmandelic Acid C05584 Xanthine C00385 Xanthosine C01762 Xanthurenic Acid C02470 Xylonate C05411 Xylose C00181 METABOLITES_END #END