#METABOLOMICS WORKBENCH jeetp_20220803_110455 DATATRACK_ID:3382 STUDY_ID:ST002270 ANALYSIS_ID:AN003710 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 POSITIVE #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 10C13-Arginine 10C13-Phenylalanine 10C13-Tyrosine 11C13-Uridine 13C13-Tryptophan 1/3-Methylhistidine 135722.0000 117732.0000 124557.0000 65055.0000 117168.0000 99608.0000 108546.0000 100894.0000 93471.0000 96919.5000 97451.0000 125414.0000 121978.0000 154430.0000 108611.0000 129546.0000 129472.0000 96463.0000 103203.0000 1_7-Dimethylxanthine 1-Methyladenosine 1-Methylguanidine 1-Methylhistamine 1-Methylimidazole Acetate 1-Methylnicotinamide 2_3-Diphosphoglyceric Acid 2-Aminoisobutyric Acid 788598.0000 742683.0000 838117.0000 787521.0000 789630.0000 874091.0000 850284.0000 697517.0000 795064.0000 786905.5000 806499.0000 843261.0000 859641.0000 846052.0000 781401.0000 865964.0000 944716.0000 914394.0000 743650.0000 2C13-Choline 2C13-Glutamic acid 24040248.0000 24315766.0000 24864726.0000 24176175.0000 22191378.0000 23449814.0000 22594958.0000 22380934.0000 22851928.0000 22129056.0000 22306154.0000 23659433.0000 24421299.0000 23253153.0000 23075771.0000 23507778.0000 24838365.0000 23618476.0000 23020015.0000 2C13-Tyrosine 4392720.0000 4271188.0000 4445391.0000 4281512.0000 4242270.0000 4298205.0000 4210321.0000 4077538.0000 4266202.0000 4178583.5000 4313627.0000 4283863.0000 4438860.0000 4253494.0000 4308164.0000 4268562.0000 4514126.0000 4420855.0000 4227881.0000 2^-Deoxycytidine 836235.0000 994451.0000 944869.0000 1012443.0000 963299.0000 1053592.0000 786263.0000 850268.0000 1060922.0000 1004657.0000 940536.0000 936183.0000 1000964.0000 876928.0000 1047715.0000 803412.0000 1045969.0000 959324.0000 902898.0000 2^-Deoxyuridine 3-Aminoisobutyrate 14180.0000 16085.0000 13598.0000 16076.0000 15863.0000 33847.0000 36231.0000 21612.0000 15771.0000 22872.5000 20405.0000 42362.0000 25111.0000 41927.0000 25923.0000 16197.0000 25664.0000 27814.0000 11958.0000 3C13-Glycine 3-Indolebutyric Acid 4-Aminobenzoic Acid 9949.0000 8930.0000 9279.0000 9596.0000 8871.0000 11091.0000 11775.0000 11101.0000 11090.0000 9863.0000 11744.0000 9686.0000 9836.0000 9316.0000 9832.0000 9952.0000 10833.0000 9755.0000 10552.0000 4C13-Alanine 4C13-Serine 4-Guanidinobutanoate 1428320.0000 1622776.0000 1608703.0000 1521234.0000 1544641.0000 1577042.0000 1724607.0000 1415426.0000 1481338.0000 1580797.5000 1423596.0000 3029542.0000 2959163.0000 2729796.0000 2755936.0000 1372542.0000 1465344.0000 1314111.0000 1228932.0000 5_6-Dihydrothymine 5_6-Dihydrouracil 107239.0000 96911.0000 118204.0000 85559.0000 111865.0000 113524.0000 135466.0000 90381.0000 107858.0000 98071.5000 96452.0000 147851.0000 169748.0000 130467.0000 134895.0000 90180.0000 96835.0000 87131.0000 84752.0000 5-Aminovaleric Acid 106359.0000 89142.0000 117628.0000 107620.0000 231468.0000 272422.0000 280173.0000 249989.0000 308652.0000 262459.5000 239305.0000 368364.0000 373199.0000 359484.0000 332679.0000 148985.0000 136531.0000 185928.0000 151932.0000 5C13-Aspartic Acid 5C13-Threonine 5-Methylcytidine 44492.0000 47054.0000 44172.0000 42368.0000 54893.0000 63314.0000 43596.0000 46856.0000 57300.0000 66066.0000 55725.0000 57137.0000 56392.0000 52144.0000 57033.0000 50999.0000 48294.0000 45285.0000 46349.0000 5^-Methylthioadenosine 273976.0000 241616.0000 229038.0000 317491.0000 252496.0000 171344.0000 190749.0000 200158.0000 204682.0000 237054.5000 311582.0000 276376.0000 269989.0000 261887.0000 241087.0000 269398.0000 149949.0000 228011.0000 217675.0000 6C13-Asparagine 6C13-Glutamic acid 6C13-Methionine 6C13-Proline 6C13-Valine 6-Methyladenosine 14477.0000 19126.0000 16138.0000 15857.0000 32968.0000 41066.0000 13631.0000 22204.0000 21122.0000 24761.5000 29562.0000 20942.0000 32639.0000 22886.0000 27432.0000 14969.0000 18099.0000 15686.0000 12232.0000 7C13-Glutamine 7C13-iso-Leucine 7C13-Leucine 7-Methylguanine 1944299.0000 1993145.0000 2058076.0000 1983473.0000 1698519.0000 1839493.0000 1835666.0000 1695811.0000 1666344.0000 1737153.0000 1754587.0000 1651353.0000 1646237.0000 1593138.0000 1617513.0000 2006316.0000 2131497.0000 2029747.0000 1981782.0000 8C13-Cystine 8C13-Lysine 9C13-Histidine Acetylcarnitine 5131960.0000 6569663.0000 5909683.0000 5596456.0000 8199228.0000 10585000.0000 9836074.0000 8916811.0000 9016681.0000 8919054.0000 9261970.0000 8564034.0000 9423137.0000 7798526.0000 9187505.0000 5056015.0000 7285848.0000 6953643.0000 6062783.0000 Acetylcholine 432137.0000 497602.0000 432658.0000 481230.0000 382225.0000 382132.0000 137787.0000 351438.0000 413024.0000 479995.0000 257069.0000 247523.0000 270495.0000 159714.0000 241472.0000 566154.0000 497840.0000 541375.0000 321139.0000 Adenosine 410096.0000 523648.0000 461550.0000 596876.0000 393662.0000 454932.0000 374097.0000 342506.0000 307152.0000 376953.0000 278241.0000 299887.0000 313092.0000 300361.0000 419636.0000 538410.0000 575096.0000 842974.0000 824064.0000 Adenosylcobalamin Agmatine 55442.0000 42181.0000 43343.0000 31245.0000 59193.0000 38214.0000 45658.0000 45034.0000 54364.0000 51189.5000 60882.0000 49846.0000 60455.0000 54064.0000 62292.0000 27803.0000 37628.0000 52550.0000 40693.0000 Alanine 2334103.0000 2211127.0000 2329047.0000 2171829.0000 2269603.0000 2498195.0000 2315342.0000 2209651.0000 2335830.0000 2204742.5000 2287836.0000 2478288.0000 2495132.0000 2492321.0000 2359444.0000 2275749.0000 2300167.0000 2243799.0000 2192655.0000 Aminoacetone Aminolevulinate 1821095.0000 1820506.0000 1846099.0000 1816760.0000 1873983.0000 1983502.0000 1866235.0000 1667874.0000 1701729.0000 1778368.5000 1809601.0000 1935557.0000 1912153.0000 1734289.0000 1775989.0000 1831328.0000 1966616.0000 1857623.0000 1788840.0000 Anserine Arginine 35022914.0000 33533478.0000 35881890.0000 34293996.0000 36878882.0000 39155737.0000 37140183.0000 35761075.0000 37630908.0000 34173345.0000 35081754.0000 43680667.0000 42709442.0000 42529472.0000 41059191.0000 29701760.0000 31577789.0000 33605210.0000 30511947.0000 Argininosuccinate 54413.0000 46805.0000 52926.0000 41228.0000 58512.0000 54858.0000 67456.0000 68787.0000 63990.0000 65115.5000 63641.0000 80375.0000 62697.0000 75477.0000 62361.0000 60711.0000 40728.0000 43979.0000 49909.0000 Asparagine 974912.0000 780039.0000 1015626.0000 898531.0000 1169667.0000 1186447.0000 1238331.0000 1120258.0000 1192517.0000 1233950.0000 1190368.0000 1276030.0000 1328626.0000 1235888.0000 1233769.0000 954444.0000 947694.0000 970860.0000 790683.0000 Aspartic Acid 1481028.0000 1436845.0000 1623347.0000 1377170.0000 1897961.0000 2040515.0000 1912745.0000 1639481.0000 1917919.0000 1940716.5000 2053317.0000 1386397.0000 1487842.0000 1492688.0000 1536965.0000 1673752.0000 2027052.0000 1815923.0000 1724073.0000 betaAlanine 58178.0000 67358.0000 82736.0000 66833.0000 71581.0000 98509.0000 67898.0000 70801.0000 74706.0000 61308.5000 76709.0000 78122.0000 92602.0000 88094.0000 93549.0000 65273.0000 72606.0000 73657.0000 68263.0000 Betaine 12384431.0000 12058242.0000 13306857.0000 12239328.0000 10871437.0000 11008004.0000 10458540.0000 10554490.0000 10687398.0000 12360652.5000 10521861.0000 12642997.0000 11712286.0000 10232651.0000 12500443.0000 11943513.0000 12106875.0000 12954517.0000 11946278.0000 Betaine Aldehyde Biliverdin 161342.0000 145912.0000 167239.0000 155265.0000 202180.0000 171475.0000 195942.0000 178557.0000 194774.0000 223169.5000 175274.0000 217641.0000 198421.0000 194254.0000 191904.0000 145904.0000 193742.0000 181092.0000 154836.0000 Biopterin Cadaverine 152308.0000 146925.0000 149020.0000 123940.0000 133391.0000 119974.0000 143511.0000 120604.0000 125064.0000 133494.0000 125727.0000 148550.0000 140998.0000 136831.0000 153292.0000 137943.0000 137540.0000 178911.0000 137810.0000 Caffeine cAMP 206941.0000 263145.0000 289871.0000 244008.0000 120602.0000 147739.0000 79090.0000 82559.0000 123049.0000 120457.0000 78952.0000 96519.0000 130992.0000 102930.0000 114066.0000 255202.0000 271940.0000 290705.0000 195823.0000 Carnitine 7355465.0000 6833784.0000 7418976.0000 6434843.0000 8324373.0000 8471539.0000 8096775.0000 7229189.0000 7838299.0000 8420564.5000 8031481.0000 6792235.0000 8421995.0000 7441430.0000 7850190.0000 7021056.0000 7118915.0000 6802340.0000 6305892.0000 Carnosine 2443844.0000 2745173.0000 2392929.0000 2486778.0000 1439195.0000 1783854.0000 2594492.0000 1821634.0000 1518064.0000 1994316.0000 2362463.0000 2053791.0000 1639911.0000 1666896.0000 1603978.0000 3092579.0000 3206211.0000 3429968.0000 2903756.0000 CDP Cholecalciferol 143389.0000 141432.0000 165099.0000 162690.0000 117663.0000 154497.0000 143943.0000 138738.0000 136550.0000 125498.5000 128533.0000 146223.0000 140598.0000 123779.0000 143657.0000 156625.0000 162853.0000 158359.0000 125831.0000 Choline 19077411.0000 19946433.0000 19219154.0000 18149344.0000 13001500.0000 11835770.0000 11795288.0000 12918457.0000 12502903.0000 13103433.0000 12606473.0000 18357739.0000 18228900.0000 18863541.0000 17574642.0000 16838409.0000 15974363.0000 16156756.0000 16516970.0000 Cotinine Creatine 70622158.0000 68395706.0000 71274960.0000 66388910.0000 70466520.0000 73350752.0000 70227827.0000 65227469.0000 68301033.0000 67109461.0000 68884012.0000 71230693.0000 72357000.0000 67822136.0000 70811302.0000 68089175.0000 72845639.0000 72903798.0000 67941084.0000 Creatinine 213255.0000 217768.0000 205253.0000 283482.0000 309041.0000 295724.0000 287087.0000 256905.0000 273188.0000 269551.0000 248948.0000 323375.0000 253172.0000 278164.0000 291079.0000 297652.0000 250467.0000 266924.0000 257889.0000 Cyanocobalamin (Vitamin B12) Cystamine Cysteine 80005.0000 81479.0000 71680.0000 66277.0000 49632.0000 59062.0000 62638.0000 46599.0000 62011.0000 51168.0000 30759.0000 40860.0000 45492.0000 39151.0000 56004.0000 43031.0000 83243.0000 46453.0000 43696.0000 Cysteinyl-Glycine (Cys-Gly) 14555.0000 11461.0000 12397.0000 15302.0000 26271.0000 24447.0000 22497.0000 19900.0000 19209.0000 24825.0000 24990.0000 18835.0000 17533.0000 19487.0000 17680.0000 14653.0000 13206.0000 12768.0000 12789.0000 Cystine Cytidine 5847717.0000 6494328.0000 6662323.0000 6558472.0000 6755648.0000 7298597.0000 6166632.0000 6515673.0000 6786073.0000 6856499.0000 6509120.0000 6485385.0000 6998179.0000 6174976.0000 7043085.0000 6399947.0000 7604898.0000 6548811.0000 6368940.0000 Cytosine 890230.0000 1132322.0000 1023101.0000 1073178.0000 1110960.0000 1208979.0000 881501.0000 981552.0000 1158513.0000 1115783.0000 975495.0000 1042816.0000 1132500.0000 971080.0000 1189796.0000 897647.0000 1160428.0000 1086383.0000 1052944.0000 d3-Creatinine Deoxycarnitine 40794.0000 63331.0000 55332.0000 53090.0000 47140.0000 40468.0000 60901.0000 55955.0000 50563.0000 50710.5000 39452.0000 100423.0000 107401.0000 90457.0000 81764.0000 41059.0000 44554.0000 47220.0000 36161.0000 Deoxyguanosine 109061.0000 127966.0000 102096.0000 131638.0000 93643.0000 117930.0000 81257.0000 85212.0000 101117.0000 86676.5000 86757.0000 90973.0000 105050.0000 93353.0000 113617.0000 68919.0000 126995.0000 120748.0000 113497.0000 Dimethylarginine (A/SDMA) 11098129.0000 10288522.0000 11824702.0000 10286518.0000 11572482.0000 12032485.0000 11940220.0000 10514649.0000 9906138.0000 11125407.0000 10784732.0000 11801917.0000 12281033.0000 11413706.0000 11636470.0000 11153912.0000 11874430.0000 11369794.0000 10897078.0000 Dimethylglycine 9311.0000 5379.0000 11272.0000 22268.0000 7295.0000 4566.0000 19629.0000 11315.0000 7798.0000 5839.5000 7456.0000 17077.0000 9801.0000 8149.0000 12298.0000 19038.0000 6961.0000 14727.0000 10669.0000 DL DOPA 55773531.0000 56214174.0000 54737580.0000 53414565.0000 56875199.0000 57452445.0000 57930485.0000 54041873.0000 57185874.0000 57486467.5000 58071086.0000 53947336.0000 55954431.0000 52167260.0000 51760184.0000 54329660.0000 58348930.0000 59108681.0000 55498119.0000 Epinephrine Ergocalciferol Ethanolamine 23324.0000 23232.0000 26375.0000 19273.0000 15918.0000 16920.0000 26123.0000 14650.0000 31275.0000 36514.0000 14753.0000 20288.0000 25753.0000 21696.0000 22186.0000 24778.0000 17560.0000 19247.0000 15320.0000 FAD 232582.0000 272570.0000 261950.0000 322869.0000 320851.0000 325237.0000 297839.0000 298606.0000 285438.0000 320009.5000 316572.0000 326388.0000 339392.0000 308958.0000 324361.0000 257527.0000 284562.0000 288616.0000 252659.0000 Folic Acid Gluconolactone Glucosamine Glutamic acid 17755011.0000 16581184.0000 18181403.0000 16874257.0000 19277424.0000 20941738.0000 19868850.0000 18849807.0000 19794002.0000 20116160.0000 20147814.0000 17068180.0000 16790082.0000 16649072.0000 16627731.0000 18678356.0000 19927976.0000 19348859.0000 18099610.0000 Glutamine 16812321.0000 15277713.0000 16967392.0000 15451907.0000 17759735.0000 19252573.0000 18854923.0000 16708996.0000 17543433.0000 17461612.0000 17638927.0000 18487345.0000 19147091.0000 18938988.0000 19059709.0000 14770284.0000 16508591.0000 16639693.0000 13898507.0000 Glutarylcarnitine 112922.0000 135858.0000 127342.0000 122372.0000 207224.0000 217220.0000 200706.0000 143109.0000 207366.0000 200139.5000 188388.0000 240643.0000 248301.0000 239193.0000 238566.0000 92689.0000 120240.0000 129730.0000 102731.0000 Glycerophosphocholine 2004791.0000 2489988.0000 1963577.0000 2635428.0000 3868322.0000 4040491.0000 4601035.0000 3933968.0000 3382496.0000 3372054.5000 3828256.0000 3107854.0000 3748464.0000 3349367.0000 3679300.0000 1587656.0000 2904629.0000 2359542.0000 1672159.0000 Glycine 325863.0000 279357.0000 325058.0000 334425.0000 286190.0000 319152.0000 299444.0000 295517.0000 295533.0000 298269.0000 264812.0000 351585.0000 333218.0000 337635.0000 345825.0000 284286.0000 299276.0000 300196.0000 295689.0000 GMP 6615862.0000 7270743.0000 6554559.0000 7070621.0000 9670377.0000 10139098.0000 10658970.0000 10280142.0000 8948240.0000 9249089.0000 10023815.0000 9812031.0000 10213761.0000 9426550.0000 9638550.0000 7324680.0000 8657337.0000 7915576.0000 7946640.0000 Guanine 2831221.0000 3065337.0000 3060929.0000 2932811.0000 2686227.0000 3156822.0000 2265279.0000 2356091.0000 2852303.0000 2565437.5000 2080060.0000 3259179.0000 3202378.0000 2937970.0000 3568872.0000 2605125.0000 3488169.0000 3431144.0000 2290393.0000 Guanosine 3847921.0000 3471989.0000 4121337.0000 3514166.0000 2411956.0000 2551331.0000 2814959.0000 2408814.0000 2290619.0000 2543814.5000 2766292.0000 2454106.0000 2291971.0000 2422284.0000 2371497.0000 3523639.0000 3450970.0000 3521073.0000 3133567.0000 Histamine 42760.0000 46748.0000 19476.0000 28910.0000 28896.0000 26344.0000 32892.0000 23168.0000 21011.0000 20646.0000 27183.0000 17090.0000 20145.0000 12780.0000 16843.0000 18885.0000 41251.0000 37976.0000 51186.0000 Histidine 31981855.0000 27485515.0000 33038606.0000 27508678.0000 31728390.0000 32890892.0000 26838596.0000 27125771.0000 30885171.0000 30264229.0000 28751645.0000 33289661.0000 32322351.0000 30609732.0000 31587067.0000 30183678.0000 30811447.0000 30253240.0000 25885614.0000 Homoarginine 396170.0000 421776.0000 435953.0000 433435.0000 555061.0000 607846.0000 575374.0000 528129.0000 648546.0000 563773.0000 602243.0000 555887.0000 551370.0000 591549.0000 470874.0000 432772.0000 531992.0000 490069.0000 443496.0000 Homocitrulline 79562.0000 78200.0000 99332.0000 78252.0000 81067.0000 91666.0000 105116.0000 71680.0000 94997.0000 89376.0000 89066.0000 101199.0000 88820.0000 97566.0000 86343.0000 77804.0000 76410.0000 81840.0000 80845.0000 Homocysteine Hydroxyproline 1451333.0000 1377839.0000 1515315.0000 1424967.0000 1500598.0000 1666173.0000 1563565.0000 1474610.0000 1480033.0000 1516784.0000 1536013.0000 1329704.0000 1417157.0000 1306681.0000 1391683.0000 1440356.0000 1585469.0000 1518085.0000 1527243.0000 Hypotaurine 18010.0000 17180.0000 18176.0000 12140.0000 26995.0000 24719.0000 23944.0000 23950.0000 19863.0000 22757.5000 24259.0000 18092.0000 19179.0000 23012.0000 18188.0000 14853.0000 16630.0000 28849.0000 16465.0000 Imidazoleacetic Acid 54406.0000 67018.0000 111833.0000 69445.0000 91999.0000 123088.0000 110381.0000 77994.0000 101556.0000 106635.5000 100999.0000 101559.0000 90845.0000 71370.0000 104969.0000 120495.0000 71314.0000 67664.0000 78881.0000 Imidazole Propionate Indole Inosine 20936250.0000 19342741.0000 24823556.0000 19522397.0000 14677635.0000 15635124.0000 18341190.0000 14169860.0000 12531317.0000 14568283.5000 16619270.0000 15180117.0000 13378111.0000 13307463.0000 13407899.0000 22603366.0000 20942755.0000 21938780.0000 18527544.0000 iso-Leucine /allo-isoLeucine 1065172.0000 1021473.0000 1057528.0000 1002744.0000 1242122.0000 1251567.0000 1122668.0000 1068982.0000 1226623.0000 1183207.5000 1115443.0000 1245303.0000 1213611.0000 1132317.0000 1124305.0000 911649.0000 936128.0000 1037130.0000 879403.0000 isoValerylcarnitine 585317.0000 737157.0000 607438.0000 683480.0000 1186221.0000 1058143.0000 1132849.0000 988488.0000 1093236.0000 1158874.0000 1096642.0000 1388739.0000 1424280.0000 1445951.0000 1216288.0000 582221.0000 494059.0000 648616.0000 574467.0000 L-2-Aminobutyric Acid 45115.0000 49914.0000 42937.0000 64289.0000 57800.0000 48484.0000 64319.0000 58627.0000 33932.0000 44204.5000 48024.0000 38874.0000 51653.0000 74068.0000 73821.0000 33414.0000 40587.0000 38366.0000 45364.0000 Leucine /D-Norleucine 5655477.0000 5297139.0000 5993937.0000 5528639.0000 6596299.0000 6872916.0000 6745008.0000 6217308.0000 6482758.0000 7014659.5000 6387097.0000 7279530.0000 6528603.0000 6677270.0000 6540897.0000 5384682.0000 5482524.0000 5985273.0000 5178196.0000 L-Kynurenine 5410.0000 5394.0000 5030.0000 2374.0000 17899.0000 11559.0000 13604.0000 10411.0000 12810.0000 12910.5000 11239.0000 12066.0000 16890.0000 13135.0000 16217.0000 5846.0000 5056.0000 5390.0000 8049.0000 Lysine 9827847.0000 9504197.0000 9494471.0000 9408908.0000 10000038.0000 10199548.0000 10724979.0000 9917999.0000 10176241.0000 9763001.5000 10310509.0000 11808958.0000 11918817.0000 11954486.0000 11218117.0000 7735548.0000 8114633.0000 8957579.0000 7472905.0000 Methionine 387621.0000 359829.0000 371164.0000 385769.0000 422679.0000 467053.0000 433661.0000 397694.0000 461979.0000 429964.0000 448199.0000 493268.0000 466054.0000 474100.0000 391857.0000 338379.0000 348100.0000 377502.0000 315584.0000 Methionine Sulfoxide 70994.0000 63865.0000 67808.0000 73907.0000 96873.0000 93895.0000 90746.0000 92228.0000 125677.0000 128408.0000 123170.0000 139459.0000 132063.0000 122695.0000 120639.0000 56502.0000 69108.0000 69938.0000 70347.0000 Methylcobalamin N2_N2-Dimethylguanosine N6-Acetyl-Lysine 57910.0000 61233.0000 55652.0000 59653.0000 42926.0000 48626.0000 35299.0000 27112.0000 37407.0000 43722.5000 33716.0000 52317.0000 52037.0000 46462.0000 50819.0000 59375.0000 50447.0000 58220.0000 55718.0000 N6-Trimethyllysine 3520908.0000 3651757.0000 3901338.0000 3906690.0000 5066837.0000 5337836.0000 5293518.0000 4290423.0000 4680607.0000 5236310.5000 4974152.0000 6837617.0000 6954699.0000 7071441.0000 6683235.0000 3410553.0000 3757479.0000 3434742.0000 3471210.0000 N-Ac-Arginine 1170024.0000 1048687.0000 1122306.0000 1135600.0000 2601431.0000 2465925.0000 2384371.0000 2189907.0000 2599143.0000 2580856.5000 2159297.0000 3095403.0000 3131401.0000 2822789.0000 2788820.0000 910952.0000 911056.0000 1055318.0000 912409.0000 N-Acetylornithine 17315.0000 13951.0000 30701.0000 17166.0000 40868.0000 38093.0000 49056.0000 24842.0000 36967.0000 29067.0000 38994.0000 36343.0000 44042.0000 36364.0000 34311.0000 14793.0000 23622.0000 20135.0000 16550.0000 N-Acetylputrescine NAD 42189.0000 41099.0000 36548.0000 36848.0000 37328.0000 61606.0000 33867.0000 39062.0000 37243.0000 36879.5000 44421.0000 41846.0000 55022.0000 30422.0000 36323.0000 33563.0000 60318.0000 45646.0000 30538.0000 NADPH Neopterin 102348.0000 122490.0000 124232.0000 122949.0000 87580.0000 87984.0000 96459.0000 84487.0000 79389.0000 85263.5000 80623.0000 72970.0000 88346.0000 79060.0000 74463.0000 100330.0000 117457.0000 91860.0000 87985.0000 n-Glycylproline 148730.0000 167926.0000 189126.0000 170114.0000 194346.0000 219281.0000 197017.0000 160753.0000 235768.0000 211064.5000 170941.0000 248842.0000 257622.0000 240617.0000 231357.0000 135767.0000 167734.0000 165195.0000 116465.0000 Niacinamide 2260365.0000 2271671.0000 2292541.0000 2158662.0000 2520323.0000 2243846.0000 2364250.0000 2406667.0000 2420995.0000 2590908.0000 2728265.0000 2491428.0000 2486286.0000 2658191.0000 2552348.0000 2495901.0000 2171381.0000 2348171.0000 2373219.0000 Norepinephrine Normetanephrine Ornithine 446504.0000 426897.0000 440859.0000 433033.0000 400525.0000 470363.0000 501474.0000 411601.0000 405667.0000 391205.5000 402277.0000 707058.0000 618150.0000 614296.0000 602917.0000 318951.0000 343236.0000 403311.0000 299995.0000 Phenylalanine 8589036.0000 7965277.0000 8912771.0000 8144138.0000 12674285.0000 12925901.0000 12369838.0000 12012159.0000 13014031.0000 13669206.5000 12185609.0000 15916482.0000 14286929.0000 14422895.0000 14322450.0000 7663315.0000 7746589.0000 8018037.0000 7057825.0000 Phosphocreatine 27933.0000 25364.0000 35003.0000 20511.0000 9469.0000 30211.0000 18989.0000 10140.0000 19453.0000 17704.5000 21521.0000 15131.0000 16984.0000 6026.0000 34738.0000 22497.0000 41540.0000 42498.0000 24676.0000 Phosphorylcholine 327148.0000 389856.0000 328363.0000 365283.0000 142781.0000 181032.0000 175235.0000 147544.0000 130198.0000 175612.5000 155460.0000 382803.0000 364260.0000 319815.0000 347460.0000 379995.0000 407713.0000 392592.0000 362043.0000 Phosphotyrosine Pipecolate 26275.0000 13856.0000 15608.0000 20504.0000 27765.0000 18969.0000 20524.0000 26664.0000 27098.0000 30530.0000 22645.0000 21133.0000 22167.0000 7237.0000 11510.0000 3856.0000 13401.0000 19079.0000 5713.0000 Proline 2292966.0000 2146033.0000 2403882.0000 2182682.0000 2566985.0000 2602259.0000 2334440.0000 2181826.0000 2535928.0000 2514558.0000 2299292.0000 2843934.0000 2719717.0000 2640452.0000 2611051.0000 2121614.0000 2088462.0000 2173864.0000 1996143.0000 Putrescine 7423381.0000 7540119.0000 7817225.0000 7855782.0000 7370100.0000 7955507.0000 10062608.0000 8127731.0000 7422869.0000 7511104.0000 8556943.0000 9476566.0000 9326578.0000 8709141.0000 9166180.0000 6647580.0000 7308369.0000 7665711.0000 6306492.0000 Pyridoxamine Pyroglutamic Acid 165865.0000 168595.0000 180563.0000 170526.0000 156537.0000 126810.0000 122307.0000 147740.0000 139304.0000 140730.5000 160749.0000 177077.0000 181609.0000 152763.0000 160740.0000 157871.0000 172405.0000 162654.0000 156567.0000 Retinal 63412.0000 62804.0000 62915.0000 76311.0000 118958.0000 95367.0000 126207.0000 121919.0000 118617.0000 131876.0000 131738.0000 133829.0000 116297.0000 131439.0000 136841.0000 57034.0000 52728.0000 41744.0000 63838.0000 Retinol 38266.0000 41185.0000 36484.0000 31211.0000 49449.0000 44579.0000 59223.0000 46577.0000 58704.0000 52762.5000 56736.0000 1315814.0000 1350127.0000 1336612.0000 1316727.0000 37917.0000 37724.0000 32196.0000 44676.0000 Riboflavin 992385.0000 1002040.0000 984471.0000 1055398.0000 1190585.0000 1229114.0000 1267663.0000 1236684.0000 1184519.0000 1186694.0000 1160207.0000 1324975.0000 1372594.0000 1381994.0000 1342532.0000 850315.0000 1009291.0000 1064493.0000 837916.0000 S-Adenosylmethionine (SAM) 938808.0000 1137732.0000 1015361.0000 1165305.0000 939024.0000 1103684.0000 1011946.0000 855230.0000 899079.0000 908240.0000 942985.0000 1421202.0000 1574627.0000 1446312.0000 1446668.0000 883064.0000 1251676.0000 1101227.0000 915826.0000 SAH 216098.0000 232095.0000 210739.0000 200692.0000 544455.0000 498919.0000 596669.0000 587491.0000 496161.0000 564555.0000 608677.0000 696838.0000 613440.0000 671361.0000 578457.0000 274117.0000 292789.0000 320791.0000 315994.0000 Salicylurate Sarcosine 4966.0000 8473.0000 4853.0000 3869.0000 3920.0000 8444.0000 5062.0000 3631.0000 5925.0000 11240.5000 10774.0000 14134.0000 14511.0000 16977.0000 14658.0000 7301.0000 3791.0000 3787.0000 1738.0000 Selenomethionine Se-Methylselenocysteine Serine 3052302.0000 2777048.0000 3071671.0000 2843987.0000 3661379.0000 3763129.0000 3427347.0000 3353849.0000 3609419.0000 3583946.5000 3440147.0000 4029665.0000 3988002.0000 3938218.0000 3735126.0000 2801996.0000 2822293.0000 2714819.0000 2601358.0000 Serotonin S-Methylcysteine 404733.0000 377927.0000 428631.0000 377404.0000 719433.0000 790071.0000 743017.0000 723427.0000 739199.0000 765535.5000 751146.0000 943935.0000 876813.0000 884926.0000 816402.0000 318946.0000 379688.0000 351673.0000 291784.0000 Spermidine 129996.0000 172152.0000 206274.0000 210993.0000 149497.0000 147093.0000 182229.0000 155705.0000 161141.0000 162674.5000 141959.0000 173752.0000 187284.0000 191867.0000 200085.0000 176128.0000 202330.0000 210859.0000 169606.0000 Spermine Succinylcarnitine 202108.0000 193714.0000 226182.0000 207150.0000 237741.0000 266283.0000 279426.0000 246293.0000 253487.0000 237873.5000 232324.0000 523048.0000 567724.0000 518953.0000 547540.0000 163649.0000 175499.0000 180933.0000 151780.0000 Taurine 122683.0000 186024.0000 186806.0000 131656.0000 71653.0000 60681.0000 43267.0000 76375.0000 45536.0000 64744.0000 44937.0000 47931.0000 55389.0000 60918.0000 42716.0000 175099.0000 146601.0000 132068.0000 155130.0000 Taurocyamine 105210.0000 106592.0000 107306.0000 101173.0000 79478.0000 107344.0000 99090.0000 87317.0000 92913.0000 93920.0000 95824.0000 90046.0000 77815.0000 91212.0000 103946.0000 109423.0000 93787.0000 105385.0000 110014.0000 Theobromine Thiamine 125948.0000 107314.0000 125382.0000 108499.0000 103800.0000 115541.0000 103310.0000 85775.0000 120765.0000 103178.0000 96908.0000 101664.0000 127452.0000 98053.0000 119900.0000 110369.0000 109968.0000 122572.0000 98104.0000 Thiamine pyrophosphate Threonine 1735082.0000 1476207.0000 1508203.0000 1456325.0000 1902580.0000 1982705.0000 1789542.0000 1764721.0000 1914690.0000 1982269.0000 1917883.0000 2143037.0000 2164643.0000 2247705.0000 2164558.0000 1501593.0000 1481940.0000 1488105.0000 1268727.0000 Thyroxine Trigonelline Trimethylamine-N-Oxide (TMAO) 54632.0000 41070.0000 59118.0000 50666.0000 48710.0000 49987.0000 47960.0000 40162.0000 49375.0000 53668.0000 50689.0000 62352.0000 62962.0000 54235.0000 63240.0000 46090.0000 51475.0000 53707.0000 44889.0000 Trimethylamine (TMA) Tryptamine Tryptophan 1982243.0000 1917112.0000 2012562.0000 2036886.0000 3057921.0000 3078520.0000 3044495.0000 2712877.0000 3003224.0000 3122453.0000 2827604.0000 4082881.0000 4042965.0000 3906015.0000 4009421.0000 1570576.0000 1833745.0000 1949879.0000 1631388.0000 Tyramine Tyrosine 3273619.0000 3275282.0000 3308675.0000 3077426.0000 6402713.0000 6303806.0000 6090869.0000 5787039.0000 6339949.0000 6391146.0000 6021690.0000 7171028.0000 7098023.0000 7123635.0000 6974678.0000 2583414.0000 3129671.0000 2907979.0000 2509234.0000 Ubiquinol UMP 781798.0000 816330.0000 732694.0000 691595.0000 1118404.0000 1211612.0000 1985865.0000 1567866.0000 1172787.0000 1332968.0000 1593845.0000 1497477.0000 1537639.0000 1568162.0000 1357266.0000 913571.0000 1087218.0000 1044621.0000 924939.0000 Uridine 1193294.0000 1545718.0000 1390903.0000 1568123.0000 1591492.0000 1601486.0000 1405509.0000 1519611.0000 1578915.0000 1542597.5000 1462545.0000 1429763.0000 1633049.0000 1502790.0000 1626244.0000 1341582.0000 1759435.0000 1556036.0000 1592540.0000 Valine 754949.0000 737503.0000 796192.0000 767529.0000 904295.0000 940296.0000 851702.0000 863448.0000 900572.0000 893791.5000 829731.0000 912034.0000 873026.0000 886099.0000 847243.0000 759754.0000 742580.0000 738751.0000 686426.0000 Vitamin K1 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 10C13-Arginine 10C13-Phenylalanine 10C13-Tyrosine 11C13-Uridine 13C13-Tryptophan 1/3-Methylhistidine C01152 1,7-Dimethylxanthine C13747 1-Methyladenosine C02494 1-Methylguanidine C02294 1-Methylhistamine C05127 1-Methylimidazole Acetate C05828 1-Methylnicotinamide C02918 2,3-Diphosphoglyceric Acid C01159 2-Aminoisobutyric Acid C03665 2C13-Choline 2C13-Glutamic acid 2C13-Tyrosine 2'-Deoxycytidine C00881 2'-Deoxyuridine C00526 3-Aminoisobutyrate C03284 3C13-Glycine 3-Indolebutyric Acid C11284 4-Aminobenzoic Acid C00568 4C13-Alanine 4C13-Serine 4-Guanidinobutanoate C01035 5,6-Dihydrothymine C00906 5,6-Dihydrouracil C00429 5-Aminovaleric Acid C00431 5C13-Aspartic Acid 5C13-Threonine 5-Methylcytidine N/A 5'-Methylthioadenosine C00170 6C13-Asparagine 6C13-Glutamic acid 6C13-Methionine 6C13-Proline 6C13-Valine 6-Methyladenosine N/A 7C13-Glutamine 7C13-iso-Leucine 7C13-Leucine 7-Methylguanine C02242 8C13-Cystine 8C13-Lysine 9C13-Histidine Acetylcarnitine C02571 Acetylcholine C01996 Adenosine C00212 Adenosylcobalamin C00194 Agmatine C00179 Alanine C00041 Aminoacetone C01888 Aminolevulinate C00430 Anserine C01262 Arginine C00062 Argininosuccinate C03406 Asparagine C00152 Aspartic Acid C00049 betaAlanine C00099 Betaine C00719 Betaine Aldehyde C00576 Biliverdin C00500 Biopterin C06313 Cadaverine C01672 Caffeine C07481 cAMP C00575 Carnitine C00487 Carnosine C00386 CDP C00112 Cholecalciferol C05443 Choline C00114 Cotinine N/A Creatine C00300 Creatinine C00791 Cyanocobalamin (Vitamin B12) C02823 Cystamine N/A Cysteine C00097 Cysteinyl-Glycine (Cys-Gly) C01419 Cystine C00491 Cytidine C00475 Cytosine C00380 d3-Creatinine Deoxycarnitine C01181 Deoxyguanosine C00330 Dimethylarginine (A/SDMA) C03626 Dimethylglycine C01026 DL DOPA C00355 Epinephrine C00788 Ergocalciferol C05441 Ethanolamine C00189 FAD C00016 Folic Acid C00504 Gluconolactone C00198 Glucosamine C00329 Glutamic acid C00025 Glutamine C00064 Glutarylcarnitine N/A Glycerophosphocholine C00670 Glycine C00037 GMP C00144 Guanine C00242 Guanosine C00387 Histamine C00388 Histidine C00135 Homoarginine C01924 Homocitrulline C02427 Homocysteine C00155 Hydroxyproline C01157 Hypotaurine C00519 Imidazoleacetic Acid C02835 Imidazole Propionate C20522 Indole C00463 Inosine C00294 iso-Leucine /allo-isoLeucine C00407/C21096 isoValerylcarnitine C20826 L-2-Aminobutyric Acid C02356 Leucine /D-Norleucine C00123 L-Kynurenine C00328 Lysine C00047 Methionine C00073 Methionine Sulfoxide C02989 Methylcobalamin C06453 N2,N2-Dimethylguanosine N/A N6-Acetyl-Lysine C02727 N6-Trimethyllysine C03793 N-Ac-Arginine N/A N-Acetylornithine C00437 N-Acetylputrescine C02714 NAD C00003 NADPH C00005 Neopterin C05926 n-Glycylproline N/A Niacinamide C00153 Norepinephrine C00547 Normetanephrine C05589 Ornithine C01602 Phenylalanine C00079 Phosphocreatine C02305 Phosphorylcholine C00588 Phosphotyrosine C06501 Pipecolate C00408 Proline C00148 Putrescine C00134 Pyridoxamine C00534 Pyroglutamic Acid C01879 Retinal C00376 Retinol C19962 Riboflavin C00255 S-Adenosylmethionine (SAM) C00019 SAH C00021 Salicylurate C07588 Sarcosine C00213 Selenomethionine C05335 Se-Methylselenocysteine C05689 Serine C00065 Serotonin C00780 S-Methylcysteine C22040 Spermidine C00315 Spermine C00750 Succinylcarnitine N/A Taurine C00245 Taurocyamine C01959 Theobromine C07480 Thiamine C00378 Thiamine pyrophosphate C00068 Threonine C00188 Thyroxine C01829 Trigonelline C01004 Trimethylamine-N-Oxide (TMAO) C01104 Trimethylamine (TMA) C00565 Tryptamine C00398 Tryptophan C00078 Tyramine C00483 Tyrosine C00082 Ubiquinol C11378 UMP C00105 Uridine C00299 Valine C00183 Vitamin K1 C02059 METABOLITES_END #END