#METABOLOMICS WORKBENCH amaynard_20231001_175411 DATATRACK_ID:4354 STUDY_ID:ST002912 ANALYSIS_ID:AN004782 PROJECT_ID:PR001773 VERSION 1 CREATED_ON October 1, 2023, 6:01 pm #PROJECT PR:PROJECT_TITLE Folate depletion induces erythroid differentiation through perturbation of de PR:PROJECT_TITLE novo purine synthesis PR:PROJECT_SUMMARY Folate, an essential vitamin, is a one-carbon acceptor and donor in key PR:PROJECT_SUMMARY metabolic reactions. Erythroid cells harbor a unique sensitivity to folate PR:PROJECT_SUMMARY deprivation, as revealed by the primary pathological manifestation of PR:PROJECT_SUMMARY nutritional folate deprivation: megaloblastic anemia. To study this metabolic PR:PROJECT_SUMMARY sensitivity, we applied mild folate depletion to human and mouse erythroid cell PR:PROJECT_SUMMARY lines, and primary murine erythroid progenitors. We show that folate depletion PR:PROJECT_SUMMARY induces early blockade of purine synthesis and accumulation of the purine PR:PROJECT_SUMMARY synthesis intermediate and signaling molecule, AICAR, followed by enhanced heme PR:PROJECT_SUMMARY metabolism, hemoglobin synthesis, and erythroid differentiation. This is PR:PROJECT_SUMMARY phenocopied by inhibition of folate metabolism using the SHMT1/2 inhibitor - PR:PROJECT_SUMMARY SHIN1, and by AICAR supplementation. Mechanistically, the metabolically-driven PR:PROJECT_SUMMARY differentiation is independent of nucleotide sensing through mTORC1 and AMPK, PR:PROJECT_SUMMARY and is instead mediated by protein kinase C (PKC). Our findings suggest that PR:PROJECT_SUMMARY folate deprivation-induced premature differentiation of erythroid progenitor PR:PROJECT_SUMMARY cells is a molecular etiology to folate-deficiency induced anemia. PR:INSTITUTE Boston Children's Hospital, Harvard Medical School PR:DEPARTMENT pathology PR:LABORATORY Kanarek Lab PR:LAST_NAME Kanarek PR:FIRST_NAME Naama PR:ADDRESS Enders 1116.2, 300 Longwood Ave, Boston, MA 02115 PR:EMAIL naama.kanarek@childrens.harvard.edu PR:PHONE (617) 355-7433 #STUDY ST:STUDY_TITLE Polar metabolite levels in MEL cells following folate depletion ST:STUDY_SUMMARY Culture of MEL cells in RPMI media containing 100 nM folic acid for up to 8 days ST:STUDY_SUMMARY followed my metabolomics targeting polar metabolites. All samples were harvested ST:STUDY_SUMMARY at the same time and the study was set up as a reverse time-course. Day 0 ST:STUDY_SUMMARY samples were cultured in 2,000 nM folate for the full 8 days. ST:INSTITUTE Boston Children's Hospital, Harvard Medical School ST:DEPARTMENT pathology ST:LABORATORY Kanarek Lab ST:LAST_NAME Kanarek ST:FIRST_NAME Naama ST:ADDRESS Enders 1116.2, 300 Longwood Ave, Boston, MA 02115 ST:EMAIL naama.kanarek@childrens.harvard.edu ST:PHONE 6173557433 ST:NUM_GROUPS 6 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:CELL_STRAIN_DETAILS MEL #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 MEL MEL_100nM_Timecourse_Day0_HILIC_1 100nM_Folic_Acid_Growth:Day0 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM640.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day0_HILIC_2 100nM_Folic_Acid_Growth:Day0 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM641.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day0_HILIC_3 100nM_Folic_Acid_Growth:Day0 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM642.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day0_HILIC_4 100nM_Folic_Acid_Growth:Day0 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM643.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day1_HILIC_1 100nM_Folic_Acid_Growth:Day1 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM644.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day1_HILIC_2 100nM_Folic_Acid_Growth:Day1 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM645.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day1_HILIC_3 100nM_Folic_Acid_Growth:Day1 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM646.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day1_HILIC_4 100nM_Folic_Acid_Growth:Day1 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM647.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day2_HILIC_1 100nM_Folic_Acid_Growth:Day2 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM648.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day2_HILIC_2 100nM_Folic_Acid_Growth:Day2 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM649.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day2_HILIC_3 100nM_Folic_Acid_Growth:Day2 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM650.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day2_HILIC_4 100nM_Folic_Acid_Growth:Day2 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM651.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day4_HILIC_1 100nM_Folic_Acid_Growth:Day4 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM652.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day4_HILIC_2 100nM_Folic_Acid_Growth:Day4 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM653.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day4_HILIC_3 100nM_Folic_Acid_Growth:Day4 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM654.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day4_HILIC_4 100nM_Folic_Acid_Growth:Day4 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM655.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day6_HILIC_1 100nM_Folic_Acid_Growth:Day6 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM656.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day6_HILIC_2 100nM_Folic_Acid_Growth:Day6 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM657.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day6_HILIC_3 100nM_Folic_Acid_Growth:Day6 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM658.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day8_HILIC_1 100nM_Folic_Acid_Growth:Day8 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM659.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day8_HILIC_2 100nM_Folic_Acid_Growth:Day8 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM660.raw SUBJECT_SAMPLE_FACTORS MEL MEL_100nM_Timecourse_Day8_HILIC_3 100nM_Folic_Acid_Growth:Day8 RAW_FILE_NAME=Copy of 20222503_AM_MEL_Timecourse_HILIC_AM661.raw #COLLECTION CO:COLLECTION_SUMMARY One million cells from culture were collected via centrifugation for 20 seconds CO:COLLECTION_SUMMARY at 18,000xG, washed with 0.9% NaCl, and collected via centrifugation for 20 CO:COLLECTION_SUMMARY seconds at 18,000xG CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY MEL cells were cultured for up to 8 days in 100 nM folic acid containing RPMI TR:TREATMENT_SUMMARY media. The treatments were setup as a reverse time-course experiment and TR:TREATMENT_SUMMARY harvested on the same day. Day 0 samples were cultured for 8 days in 2,000 nM TR:TREATMENT_SUMMARY folic acid. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Pellet was resuspended in extraction buffer (80% Methanol, 25 mM Ammonium SP:SAMPLEPREP_SUMMARY Acetate and 2.5 mM Na-Ascorbate prepared in LC-MS water, supplemented with SP:SAMPLEPREP_SUMMARY isotopically-labelled amino acid standards [Cambridge Isotope Laboratories, SP:SAMPLEPREP_SUMMARY MSK-A2-1.2], aminopterin, and reduced glutathione standard [Cambridge Isotope SP:SAMPLEPREP_SUMMARY Laboratories, CNLM-6245-10]). Samples were vortexed for 10 sec, then centrifuged SP:SAMPLEPREP_SUMMARY for 10 minutes at 18,000 g to pellet cell debris. The supernatant was divided SP:SAMPLEPREP_SUMMARY into two tubes and dried on ice using a liquid nitrogen dryer. One tube of dried SP:SAMPLEPREP_SUMMARY sample was used for polar metabolite detection. Dried samples were resuspended SP:SAMPLEPREP_SUMMARY in 25 μL water #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Sample was injected into a ZIC-pHILIC 150 x 2.1 mm (5 μm particle size) column CH:CHROMATOGRAPHY_SUMMARY (EMD Millipore). operated on a Vanquish™ Flex UHPLC Systems (Thermo Fisher CH:CHROMATOGRAPHY_SUMMARY Scientific, San Jose, CA, USA). Chromatographic separation was achieved using CH:CHROMATOGRAPHY_SUMMARY the following conditions: buffer A was acetonitrile; buffer B was 20 mM ammonium CH:CHROMATOGRAPHY_SUMMARY carbonate, 0.1% ammonium hydroxide in water; resulting pH is around 9 without pH CH:CHROMATOGRAPHY_SUMMARY adjustment. Gradient conditions we used were: linear gradient from 20% to 80% B; CH:CHROMATOGRAPHY_SUMMARY 20–20.5 min: from 80% to 20% B; 20.5–28 min: hold at 20% B at 150 mL/min CH:CHROMATOGRAPHY_SUMMARY flow rate. The column oven and autosampler tray were held at 25 °C and 4 °C, CH:CHROMATOGRAPHY_SUMMARY respectively. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME EMD Millipore ZIC-HILIC (100 x 2.1 mm,3.5 um) CH:SOLVENT_A 100% acetonitrile CH:SOLVENT_B 100% water; 20 mM ammonium carbonate; 0.1% ammonium hydroxide CH:FLOW_GRADIENT linear gradient from 20% to 80% B; 20–20.5 min: from 80% to 20% B; 20.5–28 CH:FLOW_GRADIENT min: hold at 20% B at 150 mL/min flow rate CH:FLOW_RATE 150 mL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Polar metabolites were relatively quantified while referencing an in-house MS:MS_COMMENTS library of chemical standards and using TraceFinder 4.1 (Thermo Fisher MS:MS_COMMENTS Scientific, Waltham, MA, USA), with a 5 ppm mass tolerance. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples MEL_100nM_Timecourse_Day0_HILIC_1 MEL_100nM_Timecourse_Day0_HILIC_2 MEL_100nM_Timecourse_Day0_HILIC_3 MEL_100nM_Timecourse_Day0_HILIC_4 MEL_100nM_Timecourse_Day1_HILIC_1 MEL_100nM_Timecourse_Day1_HILIC_2 MEL_100nM_Timecourse_Day1_HILIC_3 MEL_100nM_Timecourse_Day1_HILIC_4 MEL_100nM_Timecourse_Day2_HILIC_1 MEL_100nM_Timecourse_Day2_HILIC_2 MEL_100nM_Timecourse_Day2_HILIC_3 MEL_100nM_Timecourse_Day2_HILIC_4 MEL_100nM_Timecourse_Day4_HILIC_1 MEL_100nM_Timecourse_Day4_HILIC_2 MEL_100nM_Timecourse_Day4_HILIC_3 MEL_100nM_Timecourse_Day4_HILIC_4 MEL_100nM_Timecourse_Day6_HILIC_1 MEL_100nM_Timecourse_Day6_HILIC_2 MEL_100nM_Timecourse_Day6_HILIC_3 MEL_100nM_Timecourse_Day8_HILIC_1 MEL_100nM_Timecourse_Day8_HILIC_2 MEL_100nM_Timecourse_Day8_HILIC_3 Factors 100nM_Folic_Acid_Growth:Day0 100nM_Folic_Acid_Growth:Day0 100nM_Folic_Acid_Growth:Day0 100nM_Folic_Acid_Growth:Day0 100nM_Folic_Acid_Growth:Day1 100nM_Folic_Acid_Growth:Day1 100nM_Folic_Acid_Growth:Day1 100nM_Folic_Acid_Growth:Day1 100nM_Folic_Acid_Growth:Day2 100nM_Folic_Acid_Growth:Day2 100nM_Folic_Acid_Growth:Day2 100nM_Folic_Acid_Growth:Day2 100nM_Folic_Acid_Growth:Day4 100nM_Folic_Acid_Growth:Day4 100nM_Folic_Acid_Growth:Day4 100nM_Folic_Acid_Growth:Day4 100nM_Folic_Acid_Growth:Day6 100nM_Folic_Acid_Growth:Day6 100nM_Folic_Acid_Growth:Day6 100nM_Folic_Acid_Growth:Day8 100nM_Folic_Acid_Growth:Day8 100nM_Folic_Acid_Growth:Day8 2,3-Bisphosphoglyceric acid 4774428.935 3831882.573 4828147.796 3476766.023 3573484.883 3891084.918 3636405.453 3866842.11 4381898.562 4035297.357 3407037.255 4411250.361 3430213.23 4553854.999 3495276.47 4560731.381 4475341.803 4783187.283 5068516.219 4774679.89 5517936.425 4679614.384 2-hydroxybutyric 1523089.292 4757153.333 1965341.451 1745673.5 1445571.247 2072901.789 2006940.937 1378039.165 2183350.589 1687037.187 1907740.928 1851264.671 2564905.977 2582332.584 2626427.121 2683187.513 1610395.015 1824262.411 973278.9468 1278386.058 626487.4323 1344255.222 2-hydroxyglutarate 468580222 687601891.8 627589149.2 506523862.4 435460616.8 502321835.2 535135925.2 583402753.5 421777547.9 373069743.7 294493263.4 282174511 431702995.4 481287523.3 435923084.4 687156651.9 631459110.3 572072225.4 452501405.6 397714514.6 673870667.5 446332228.7 3-hydroxybutyric acid 1523089.292 4754896.578 2230291.13 1745673.5 1445571.247 1985373.092 2353212.838 1413079.957 2382039.359 1590862.893 1908381.414 1867225.203 2766916.883 2609858.378 2793773.071 2716400.637 1799957.475 1612895.597 1028312.155 1235464.6 842384.8836 1505000.229 3-methyl-2-oxopentanoic acid 159574872.9 195241464 176748822.6 149407790.5 141787758.7 178014875.1 165761005.8 168375557.2 202189335.1 167670393.6 181022689.3 159651007 86684609.18 86610701.75 79997204.96 95449429.11 60901288.95 64884972.32 56492663.91 51606275.43 45519430.08 36779064.2 3-phosphoglycerate 85559633.27 66804329.06 74253669.68 68075285.56 67010476.03 70911092.81 66163645.46 67631015.06 87330578.27 84632091.34 81971820.04 88245550.34 78241770.76 72000577.04 76132099.67 86287709.37 79275597.47 92864242.96 114471596.6 84518080.62 86188134.16 86379474.26 4-Hydroxyphenylpyruvic acid 1017235.87 1193682.964 1050851.281 693862.6874 673602.5785 851791.4794 911170.8419 643144.607 784523.8879 808857.0821 863216.5265 822522.1506 587153.5049 524846.4581 592474.4708 856838.6908 745223.8491 750439.7974 716795.6472 604036.2659 594310.6573 428958.3023 6-phosphogluconate 9605503.112 11953545.47 9786847.314 9225688.611 10059443.11 10934372.6 10358883.04 11591696.95 10414951.21 8473937.806 8950834.176 9367887.974 8575480.435 7384642.462 8027265.985 8786906.279 6697380.124 7216769.669 6629214.665 5075112.739 4985828.492 4172119.69 Acetyl CoA 32916789.85 33961423.31 34392721.54 30417507.31 29621631.19 34417911.02 34331648.03 33097366.19 31722744.11 28642235.66 27085804.56 26728460.21 28957057.48 30253529.44 30424467.3 31767041.21 23640284.59 24954178.24 23548751.19 20769443.84 21322942.34 17781890.08 acetylcarnitine 69733389.64 78561240.64 77011756.87 65970951.68 65373731.38 93134420.53 73330509.58 72520855.88 51679396.83 43987296.46 48544389.74 46069417.49 34780126.86 40355101.7 41474574.71 46163092.85 40038699.43 43112384.24 43810574.49 34425507.75 38757260.55 35766290.62 acetylglutamate 8424685.583 8768050.998 9098241.404 7749889.898 4990427.861 7607849.773 7062359.988 6289324.612 3684017.743 2946315.686 2812107.096 2908749.686 4681983.347 4831327.755 4999681.752 6606874.122 3390458.8 3018705.165 2964316.995 3033815.688 3801519.398 2657169.69 acetylserine 47055582.17 48142702.77 52098579.36 40739583.73 34038596.16 36067055.07 33536300.14 40975648.28 22681154.34 21454680.77 24001716.65 25372840.81 16193604.05 19859614.13 18540002.06 20545226.39 15109235.46 13668135.77 14868462.06 13483985.18 13760159.39 10475977.8 ADP 127286951.8 110298041.6 124614128.1 106439056.3 96421200.77 107680716.8 106272552.6 104556732.3 79007100 73687679.92 77392145.31 75871475.42 97069810.92 95040506.48 97654670.29 100225563.3 92556004.41 112863871.3 117572710 106938223.9 91637045.47 117070628.3 AICAR 66349638.08 64843175.37 62338078.55 70256153.34 143747593.7 148303407.6 139042885.3 144973060.9 354007051.8 310174863.3 328061919.2 279747157.8 138236396.9 134730509.9 142561787.9 171348526.3 96756171.46 103679988 101678389.8 79204946.81 84593238.26 78505569.13 alanine 423318576.5 447210897.7 408001397.9 368006926.2 351485341.2 333195366.1 303679808.7 337639469.2 628083933.5 591029946.2 625079534.9 579725875.7 722817215.5 764739213.2 765091206.2 859312923.1 421971867.4 441413783.6 375066350.5 293421914.6 267396683.1 235714675.2 alpha-keto-isovalerate 5217617.636 6150880.654 4865476.53 4328366.931 4523769.773 6228190.291 6406282.302 5168978.989 9122260.165 8048917.886 8069557.796 7086610.766 4706284.94 4277231.254 4592520.389 5482901.793 5037245.079 5087418.732 5067005.317 4275905.589 3899587.537 3242356.822 Alpha-Lipoic Acid 9238601.672 10293284.63 11336843.1 8572465.409 9559076.822 13472900.4 10919021.15 12914706.16 8620101.464 6088399.484 7252549.535 6855915.069 8441302.862 8809641.468 9088495.544 10260517.96 10770749.57 9478998.68 9138277.504 8181888.967 10680294.33 8096749.079 AMP 64313411.31 82271658.62 80911965.19 66450551.04 53054188.65 62302486.39 68121952.04 63138701.24 49177221.47 42078249.5 39894796.5 37344741.31 61235398.77 54529209.31 55612102.16 84291806.84 66027461.17 64988377.28 60399277.38 51966134.97 76861237.65 48364555.92 arginine 3479176377 3971957273 3824332648 3453912025 3308132128 4103594326 3978395438 3637003761 3101166036 2727959221 2877618781 2737069287 2914951386 3026546621 3071217759 3692295285 3292779380 3514870094 3467589778 3234637223 3213240710 2703350218 argininosuccinate 79837387.3 70706590.68 75480197.73 78606090.38 58966509.16 43714628.03 43808721.96 50784551.18 35393827.03 37991991.79 37014911.16 36216431.79 24084037.92 25677235.9 26439667.07 33003785.79 27423668.73 27854331.75 26325315.6 20839333.41 24316081.04 19796061.8 ascorbate 1.40E+11 1.62E+11 1.67E+11 1.43E+11 1.44E+11 1.73E+11 1.54E+11 1.65E+11 1.22E+11 1.01E+11 1.05E+11 1.02E+11 1.32E+11 1.34E+11 1.43E+11 1.76E+11 1.62E+11 1.54E+11 1.42E+11 1.32E+11 1.46E+11 1.25E+11 asparagine 1737439168 1989061711 1883513026 1648629600 1460710810 1777489041 1615534528 1679930265 1596039239 1313749940 1365147408 1314561247 1809594182 1938103884 2053691415 2367447276 1917039042 1862023008 1757618983 1563983526 1655489017 1440911984 aspartate 310771428.7 327405441.8 293971861.4 269956139.7 247777660 290212730.7 256327583.5 270415548.8 373498375.7 326653445.1 311602479.3 329057949.1 442272479.3 512138603.2 559802253.6 645517024.7 872107114.5 855903070.3 821566171.7 1010812020 1156870794 914166328.2 asymmetric dimethylarginine 79130402.44 86605673.68 85278977.88 74475511.71 72803014.12 85707999.05 79908981.87 79329513.6 78944436.18 68234358.9 70345207.71 63871420.68 80663962.02 92814220.87 91174065.28 109127845.7 74290550.4 77545797 73135534.07 64570246.24 64753580.35 54806330.42 ATP 1467393218 963988263.7 1511846792 1208928170 1240083911 1137384265 1182542433 1044607934 656187761.7 850008740.4 830239184.6 912843741 1209836719 897208941 856856434.9 869819412.9 773632028 984836623.5 1195125270 1038142682 644110254.8 1009455910 beta-alanine 68957583.41 73138197.83 72550157.38 61283927.32 62815720.58 72022246.97 68285332.92 66178792.86 77954703.33 68723993.33 69560956.78 67375876 95970968.6 91841477.98 99301255.54 116010533.3 81411824.95 82194869.48 73425084.88 63307444.39 62874761.72 57220444.84 betaine 88715963.23 73362040.1 132649062.4 64054297.03 35522732.14 34132200.04 69152701.6 61313732.71 44903354.32 42078320.65 36175106.46 94271323.07 35266633.91 40499581.03 22424439.3 50080071.16 55211186.24 41301407.11 43106322.82 34519258.81 92153537.45 43943040.2 biotin 64054083.25 80709819.3 66320819.48 59884349.13 63327547.31 80222193.55 78304115.93 70148088.98 98394219.88 80653506.91 82047397.44 78242806.26 88886202.45 98005856.19 101129456.7 105540484.1 86542874.8 83789924.06 82373055.32 71545853.54 79885996.12 68836828.85 Butyrylcarnitine 55299650.12 67382878.09 64235166.25 60776284 56959458.02 75468513.27 63683382.13 70157138.56 46176419.48 41699449.94 42786515.42 39284922.17 21556830.62 23958695.13 26876072.56 28726346.72 18522736.76 17269399.39 14371532.81 13298590.06 14250583.59 10133398.33 cAMP 1653543.553 1760193.376 1694667.466 1327193.006 1638943.681 1732703.001 1557421.502 1498057.734 2085931.486 2071426.48 2007107.418 1805528.173 2012890.288 2212682.027 2217740.885 2419734.941 2022899.396 2139595.602 1980903.691 1858512.399 2137973.577 1798030.72 carnitine 171334893.4 204315300.8 196427084.9 159561725 172922644.7 222469305.3 196446005.9 184592924.8 167555512.3 147745312.3 151179422.7 135149078 129068297.9 139593722.2 140482765.9 155566226.4 174303414.3 177733644 163196377.6 172289761.3 172175228 145408281.4 CDP 8546596.402 7982157.257 8107604.822 7892840.835 5573094.839 7243499.236 6180807.115 5764674.805 5679784.826 5657198.01 5680528.946 6144799.133 6210753.877 6410028.637 6230983.794 6477874.071 6096381.463 6937419.928 6159575.748 6032322.937 5622900.946 8028490.473 choline 101890111.4 150933997.1 113504201.6 117929826.2 205482754.9 245972723.3 241863080.5 202613400.7 479380804.7 449280871.1 490624101 407617489.4 284241826.8 317714952.2 311393953.6 335712237 622218684.1 596332098.4 499808532.2 645579079.8 628723351.4 505098953.1 cis-aconitate 80438970.5 82959688.19 91482787.24 70067288.35 69845642.16 66492668.76 87286322.66 83199877.8 62566113.76 49945030.16 43150390.63 47332831.88 75689760.12 77379268.47 64647577.72 91736074.52 100252821.3 88403152.3 89996117.93 65224984.19 115507995.4 81357827.96 citrate 2381705256 2220172975 2605723693 1965380098 2207053498 2310874030 1976451579 2370045636 2467994457 2178142210 2361480675 2186222119 2542304235 2530305397 2495820790 2894939803 2268867465 2501036347 2310081818 2025480196 2059821950 1873317215 CMP 1518151.511 1939312.405 1702472.542 1646743.513 1411720.266 1441323.714 1910715.882 1210475.245 1638128.907 1853444.46 1463951.229 1450164.897 1647938.631 1743179.552 1893653.186 2208216.22 1717582.226 1987899.788 1607825.058 1660828.817 1605988.246 1530881.763 Coenzyme A 12421431.68 11638611.9 13052021.73 8050683.191 11878523.24 12118831.29 12701765.74 13847151.32 14595510.16 12575844.05 14499507.54 14447685.88 16639310.94 16899578.99 18322367.72 23569328.72 15051715.14 16491896.65 14211287.31 13385198.67 13791059.41 15686142.7 creatine 19308278.01 22250926.56 18181715.97 9713524.526 20397925.89 31218008.26 21139106.67 23989108.37 29388956.69 22773331.6 27965184.59 25610016.46 31539162.93 36377478.65 34563619.13 45206692.56 43073451.99 40427964.61 37950203.88 36508373.97 34694193.35 34148538.85 creatinine 5681420.948 2955734.232 3440753.592 1764889.501 1300347.418 2403095.79 2455633.166 4390180.11 2711030.015 1302895.566 2835162.457 1887734.123 1526415.49 4666428.467 1960079.898 2474710.424 3242046.81 2807814.632 2997057.789 10762478.72 3545045.853 2519016.677 CTP 120343646.2 75913316.33 122716590 109694707.7 99621632.31 85282681.72 91641338.86 87279253.85 84028837.31 109545306.3 109263063.7 128083821.9 128884538.3 108315762.3 97029931.33 99400912.37 86691817.4 104542092.9 127112848.4 111899989.3 78993440.46 114846991.2 cystathionine 2141757.293 2539050.511 2470057.615 2257602.114 1778687.402 2368880.061 2258325.12 2430129.608 10763524.81 9560801.945 9306512.159 9807209.426 14347838.2 15025770.43 16002686.29 17923562.8 12358470.14 12705133.85 11358390.09 9607935.807 9060493.239 8471081.875 cystine 10476166.27 13923371.49 11656014.16 9336543.129 16097753.65 32151866.01 26233692.25 23565066.16 12847273.36 8866669.973 15714537.62 10048825.3 8400206.783 6241112.581 9990242.635 9199166.955 7093716.673 14282592.46 16803995.34 23198081.13 15195769.48 13986579.52 cytidine 6937275.707 5514530.372 6194024.864 4831552.068 5584452.319 6688974.106 7207665.179 5332725.244 4275568.766 4044188.942 5080634.12 3626436.293 14033429.34 13396092.04 13581380.42 13815991.39 24544462.9 29798788.64 28078584.82 27504043.16 27050113.41 28037060.35 cytosine 62444303.28 79990431.62 62775947.33 60438807.4 46539540.96 54717237.78 71745845.26 64303365.68 64897120.62 56496043.12 46209491.68 49441676.45 84366325.21 75079236.54 76804495.72 134472400.2 113548586.8 94212055.42 88436999.11 73068092.88 134395837.4 69423463 dATP 5064695.017 3697729.74 5416089.744 4068150.248 5294574.817 4432055.01 4818648.459 3938266.117 2296237.259 3109276.752 3169305.607 2944297.318 3808711.825 2750699.795 2971792.118 3164416.331 2244055.599 2845649.139 2924218.351 2833651.387 2099364.406 2950516.237 dCTP 32003463.52 17315438.93 30568989.95 26907604.49 40664566.19 30758952.6 31726593.54 29975715.26 30523991.09 43112914.23 43065913.83 46382033.72 59260467.98 44524441.67 40151172.36 36910543.24 35013443.51 46557243.29 61194278.33 49758479.92 31462118.52 48391239.55 dCytidine 14151567.99 16474593.15 11824933.13 11939480.16 15963696.92 17642290.82 16326336.41 19311137.35 11208927.95 9042517.542 9470497.493 8578630.888 14671122.8 15549226.8 15482176.7 17595580.68 18133619.72 19108981.05 16071196.18 14374241.56 14857137.57 13339260.99 dihydroxyacetone phosphate 57600637.34 61532617.44 63212370.95 56916885.73 56673822.22 62942104.32 67301720.08 65175543.09 49682769.09 43247966.97 38986065.99 30234304.19 47311302.89 43944593.16 42111827.76 49002910.01 28056823.09 34177066.05 34832383.88 18498083.2 23164044.9 23036990.39 dTTP 8670078.333 4899484.792 8430259.263 6855791.763 6195009.375 5372219.32 5665925.499 5245485.366 5307309.809 7295425.215 6665471.61 8560727.626 7555831.223 5121855.251 4663216.744 5491002.73 4099074.265 5128576.859 7230032.451 6338613.571 3829525.579 6947512.101 dUMP 1122784.055 1048840.102 924686.3167 1030804.854 3656801.56 3419502.367 4265297.648 3462175.544 3883959.915 3004039.83 4024932.405 3834722.907 10448862.77 10532389.41 10213821.44 11238111.74 12072149.16 12913205.81 11319976.81 10274045.78 12071520.25 9819559.428 erythrose-4-phosphate 2099900.455 2178566.09 2313758.4 2288733.804 2398639.899 2620707.306 2354556.025 2445854.806 2884304.523 2957696.312 2795510.392 2280684.759 2642895.482 2363259.858 2423719.315 2708113.918 2282943.153 2359369.829 2035297.224 2249452.647 1625044.456 1190700.052 F6P_G1P 131303781.5 162377716.1 137947614.3 124917858.6 147841076.9 191692508.8 166417482.4 161953059.5 134816699.6 108016777.5 105252154.6 96070485.73 122112874 119945073.4 116108624.9 126990097.7 104579221.6 102468641.9 88475643.95 91385863.93 80383917.03 64033036.24 FAD 5511622.382 6612278.521 6345015.176 5459168.672 5834822.925 6531024.577 6098581.389 6053140.467 6633692.398 5798083.371 5551393.104 5255467.726 6569900.922 6835761.447 7480570.127 8089993.778 6600954.826 7376511.658 6899612.221 5520197.527 6706697.252 5353699.404 formylmethionine 10766803.31 12331286.21 11477569.7 10162535.47 8115609.424 9576167.76 8820651.087 9242309.419 8794691.999 8089915.232 8243322.562 8721986.776 6354751.867 7135316.231 6778721.225 7046428.836 5850078.912 5915171.521 5004458.833 4711493.29 4955379.776 4359206.647 Fructose 1,6-bisphosphate 93590968.28 91798565.17 85215919.17 80446185.58 90837389.51 104360065.6 107850027.1 96951732.35 75109642.53 57470581.57 59670803.66 50638278.8 66845808.83 71289536.1 69673508.56 72369276.04 41039971.81 50324525.69 49122684.29 34087331.43 43282216.24 39217807.89 fumarate 169004848.9 177874890.2 177105037.1 146480250.4 135772274.9 152253786.5 116519623.5 150118400.3 140631473.4 113602145.7 112166996.3 125696014.1 104856653.3 117881660.8 107559758.1 134705260.8 100692748.9 112440004.5 91685785.46 88930793.96 90723263.74 80673131.16 GAR 26358486.76 21991979.22 22941010.69 25082829.05 42783364.12 40729342.42 39239331.76 44053719.89 102305426.3 98677231.39 97270341.97 95768013.7 86336122.89 96379470.87 103912705.6 114949548.1 105984615.5 107276013.7 108819909.2 99741251.52 107461447.9 93821180.24 GDP 15050680.54 13938237.23 15397813.72 13852738.61 13571475.41 14093096.82 14894102.72 14160246.93 11606638.3 9479723.366 10467810.22 10093711.16 13077368.13 13300550.25 14910293.59 14648427.89 12118024 13574152.91 15305516.67 12337025.13 12931181.5 14196231.99 Glucose 6-phosphate 123337351.5 154555311.6 135867966.9 119897926.9 138827185.4 161816607.6 145173769.8 143554936.3 169691466.3 158238440.2 157184157.5 136183366.1 153522711.7 153689180.8 149059660.9 171805535.9 153556163.9 153191394.5 125611261.2 136802370.7 109267118.4 79838647.09 glucose 14558339.52 20155327.72 15367458 11555943.12 22231444.48 26025805.62 24405788.27 28936672.23 53720526.14 42691805.08 43567157.25 43868391.63 30688352.98 31278163.94 29540168.61 40065273.01 42763701.88 39783365.25 34592395.74 42765570.63 41460646.56 33681642.77 glutamate 4097611315 4473436040 4394766873 3838099899 3620308484 4295371267 3846785421 4064541669 5289638213 4775148593 4671709861 4673948548 5478465166 6230783806 6809926241 8056430773 6077403400 6290514559 5827956172 5320502821 5891808010 4661497004 glutamine 6949499557 8323854978 7875789152 7057234432 7066367048 7995202514 7641425793 7615008472 5219845454 4530024403 4887449653 4385307692 6042071911 6139557414 6409424369 8230125232 11778567264 11553898344 11010919375 10994476513 11726370277 10257899904 glycerate 14092487.11 16986536.08 15795754.99 14014409.43 20564313.5 19549919.96 16415134.15 20753095.9 13698214.12 10040123.06 10656423.09 10821130.95 13343498.17 16544392.69 15078783.45 17802371.33 19219079.77 15720449.82 16753989.66 19258171.75 19449523.5 17661291.81 Glycerol 3-Phosphate 1317712.103 1382270.749 1092619.325 1620814.683 1451487.471 1988822.974 3173935.03 2080856.862 1142596.863 591046.1065 973205.1939 853367.874 1016336.221 1182123.89 760317.9038 801781.1184 1025853.291 741152.2986 516214.6686 777332.9678 512082.5304 671295.1889 Glycerophosphocholine 24184478032 26177048218 25687650351 20593497682 24045757170 25985861720 24807327815 23616615657 16503940024 14790199446 15646434857 14285812453 24112767900 23471668157 23791080443 25848826900 28536210782 32873226935 29710359699 28860236721 27733055258 25682044761 glycine 38947267.86 37760130.16 37757177.32 32337010.96 30990551.83 40732386.97 35691872.64 39842576.72 40462825.91 35242323.38 34571237.99 33196188.66 48818056.68 52518871.4 50965224.35 59565340.19 54545036.73 59470288.04 50577715.8 73224111.35 50766246.2 40864444.58 GMP 1811035.074 1663067.171 1772932.185 2023718.033 1339133.605 1288939.548 1566354.63 1396391.51 1373723.776 1353685.56 1433085.95 1288221.186 1789179.43 1699413.771 1684483.161 2246986.947 1530631.001 2066405.786 1982059.335 1497815.904 1586307.398 1827165.063 GSH 6833171107 7186438264 6499770694 5771770528 6264536336 7786329061 7112778540 6845647940 6342843056 5771500634 6252660080 5498686997 6867801290 6673693871 8672390315 10419110875 8120819876 9855806047 9207674555 7918002643 7910100689 7139470877 GSSG 103493608 151768724.9 257069558.9 212855968.1 162524295.5 143979412 135897858 178258624.3 243852990.5 245225989.3 121035685.4 212478549.2 369110632.2 437915514.5 211523111.8 186137572.1 495025300.5 252058386.2 216767907.4 248990266.8 425087990.9 272735461.2 GTP 112871161.6 72618436.15 127945201.5 98317134.45 103673255.1 94575836.9 98537480.66 84099480.68 60501116.14 79653582.02 80407316.02 83732999.59 116869400.8 86587696.88 76515535.83 75902625.63 61850785.96 77151019.05 99540178.91 83288235.33 52421423.36 86301870.66 guanine 59945064.98 79349667.87 67280210.74 56346035.91 43469609.22 60055492.3 70702430.2 56404517.42 38368391.69 32377058.22 28773975.54 27791110.49 60495481.55 49470077.82 50745042.82 89364369.14 68271377.44 62226322.54 60295178.44 50263407.13 77004384.34 48569599.95 guanosine 388950.0032 507993.2929 412068.7334 415355.437 296867.9901 435096.9267 341316.8521 359668.2869 290451.9092 253624.9856 265201.5604 257795.5245 465123.8824 493853.7111 538087.6705 588813.5895 415487.1572 519734.0934 516603.7603 364619.0458 349897.5907 376522.9754 GUANOSINE_15N5 84815.11628 102048.9702 109266.0615 97793.33435 94219.58541 107283.4863 62632.51636 104585.406 119214.5147 93792.66799 80012.03618 70489.55719 99018.89127 99522.6114 118179.1796 172677.4257 120913.3228 101553.9043 85768.27758 76628.16631 97439.27348 96630.99964 histidine 410320830.4 466792840.8 458943184.4 390023626.2 370872658.2 474196365.2 473995009.6 440846203.7 562708231.8 489088581.1 500344579 523170180.2 404904765.8 399303036.7 416818855 544135227.8 416131609.9 439343650.4 422800013.6 439595860.3 457310995.4 358405709.4 hydroxyproline gammaALA 209585590.2 195160188.4 199741163.1 149283907.2 200933371.8 168400286.4 135669395.7 211155819.8 294442661.5 263544982 243723352.5 260086871.9 313288797.9 347032395.8 352311242.4 438042825.8 370027875.4 318078177.5 283054326.5 273464350.1 311726963.4 264184724.8 hypotaurine 1120738.077 1714212.484 869451.4518 1712525.898 543179.5086 692618.2137 542297.6015 348817.0284 1809809.152 1856693.624 1839414.004 2179704.669 2489223.14 3424224.984 4249906.242 4152874.735 4309780.882 3620077.903 3493128.506 3239180.819 3630192.128 4015741.375 hypoxanthine 15821764.09 24584317.46 21680574.72 19680214.95 10315009.23 15410395.92 17610435.79 15668154.99 10151419.25 9207672.084 7387621.89 7370538.94 18399031.97 14598848.61 14869851.53 27203572.07 23060985.07 18834081.21 17670709.69 19405082.38 21639559.74 19144859.2 IMP 16624475.61 18934289.56 18279637.27 15361973.76 19307140.63 21836409.48 21619609.49 21072712.86 30420355.98 29965911.78 28288497.56 24864026.98 23512531.26 23377428.37 24050900.28 24448927.81 17504942.42 19670627.96 17442890.18 17145366.04 17286327.66 16234130.09 inosine 6512795.917 4803307.022 5828343.657 6708318.778 5441361.477 4927520.371 4644128.956 3701507.32 3145993.503 3167690.548 2943385.304 2576281.175 5165999.721 4754562.3 5035684.966 4912905.421 3298878.626 3923586.875 3899738.804 3663546.352 2989666.726 4162808.864 isoleucine 578591583.4 652299332.5 529800408.4 493685957.6 511582199.4 592104874.7 664989960.1 576984668.1 612415211.8 550364827.1 568111903.3 544143997.8 500575931 544391430.5 588999541.5 601653012.5 566545311.5 611315817.1 561452281.1 570002322.4 621307844.5 505013818.9 Itaconic Acid 249654580.1 279548567.4 315647802.8 284452771.6 237205063.4 265519921.7 283486149.9 275642029.5 215918868.2 211568264.5 156026645.7 172010179.3 289022622.3 238705216.6 238616132.8 337592914.7 328480269.7 268050248.9 235996755.7 195760530.5 390636661.2 207179127.7 kynurenine 5947747.313 7722319.943 5554928.261 5723699.13 5413507.338 7058388.158 6534140.106 6013785.078 6493972.554 5838499.166 6007635.352 5429816.577 5260335.088 5604919.543 5866180.465 6172351.35 5228994.985 5517097.565 5119189.064 5367370.637 4589231.032 4297825.239 lactic acid 5005142795 5740025163 5317002142 4397812620 5503836539 6900253239 6523505104 6070133330 4874147294 3779594618 4290162028 3700724198 2977483108 2679599462 2584687689 2864467026 939103851.5 1199337949 1021783950 642664008.7 594051980.1 539775698.6 leucine 480736577.3 599142741.6 527322186.7 486517159.2 482349611.2 597571169.9 615226642.1 547978410 662405301.4 547953452.2 580935105 515015339.4 506898750.9 576467684.2 531967085.5 667542294.5 680138317.2 744129134.6 664321747.1 676801466.2 709715693.2 614486846.4 lysine 24469149.62 28164970.09 28727162.14 23157158.79 29843070.47 36295605.58 40607549.96 31961618.02 43508887.24 40897523.59 44280839.19 37276376.62 41001205.74 35521501.82 37506537.95 40829743.73 78593114.1 94875841.81 96619723.54 115975521.3 91943987.84 86164683.75 malate 2347095222 2621269117 2407804445 2058383239 1850735902 2218121246 1958654056 2150667511 1937550923 1619181916 1646808688 1710605700 1558156602 1661921878 1735375332 1939042104 1564785547 1622416378 1458354520 1321548994 1344989698 1140233390 Methionine sulfoxide 19420155.33 20574360.44 23132470.28 21811230.19 19908446 21396140.95 19479503.52 21788735.76 21234441.61 21393178.59 20534547.54 20141328.54 20131560.48 21307667.54 19626306.4 20625684.18 25274782.15 20624625.39 22678324.61 25370912 25909782.63 23824582.93 methionine 270093599.6 296744758.2 274958829.7 244842748.8 269282694 300345352.5 298963792.3 284146863.1 315450827.8 290715136.3 308807098.1 274202757.8 267779539.4 280629788.9 280762656.7 336698162.2 406275060.9 443671588.1 414778292.7 420863452.9 446367054.3 365384178.7 methylthioadenosine 53111910.78 65959395.91 58632385.29 52930400.54 50642848.92 58798409.79 59256177.83 61277607.38 66769316.25 55233347.15 57383016.86 53814892.85 51728100.86 57208397.02 61917141.08 71055717.29 54136099.14 52195730.64 53611009.87 42760225.43 48430044.71 38703433.43 myo-inositol 73977119.35 83094285.36 77200638.97 62586647.44 64838800.2 76565723.78 72411397.79 70181286.88 92951567.73 81936965.65 82026740.49 75982938.86 116015698 122312159.7 129493704 135989800.1 108614048.4 110706193.1 102449317.8 95739983.88 95418785.72 80863633.23 N-acetylcysteine 838265.2099 871059.2748 676887.035 713379.307 759792.3781 782174.8902 564416.8916 1255936.307 1742635.41 1058442.678 1176976.715 1215984.986 445969.6136 800873.7595 668718.1223 353815.8308 325021.6064 348509.5675 270771.8448 423809.0847 572970.4502 350623.5031 N-acetylglutamate 8424685.583 8768050.998 9098241.404 7749889.898 4990427.861 7607849.773 7062359.988 6289324.612 3684017.743 2946315.686 2812107.096 2908749.686 4681983.347 4831327.755 4999681.752 6606874.122 3390458.8 3018705.165 2964316.995 3033815.688 3801519.398 2657169.69 N-acetylglutamine 34983842.43 44472617.95 37322908.29 31512501.07 23757148.46 32453942.38 27125772.99 30048288.57 14011265.72 11948581.64 12240809.44 11753104.73 12846516.27 13822218.27 14896827.09 17488986.74 30327789.85 32196603.86 32078922.85 33414970.78 30743861.12 34574898.66 N-acetyllysine 8013502.057 10321425.86 8051241.361 7715821.775 7927483.985 10405356.78 8967003.449 7789373.608 9435174.893 7996340.133 8271220.661 8538516.026 10571025.18 10140157.52 12289475.57 12803860.96 11656343.87 9216718.011 9037697.311 9164919.655 8954994.975 7913202.799 N-acetylmethionine 2397784.145 3476252.059 2836917.465 2890002.088 2127423.127 2188666.504 2362994.233 2473832.565 1366919.979 1498502.211 1279723.51 1491616.782 1075678.886 1229629.588 1110633.419 1225364.384 1129260.074 1070317.224 1051672.457 911007.6128 1088042.998 782885.8673 NAD+ 608377701.6 738430364 667311567.9 617819504.7 625938390.6 678512102.2 654342947.1 605054406.6 670622130.5 584517639.3 652293227.3 605686773.3 698336364.1 692238547 745770634.3 840469226.3 599156751.6 613348524.2 557180546.4 482326471.5 461238252 479107701.7 NADH 12406917.6 14791504.91 15330465.85 9772019.369 21146962.03 14655400.59 15753344.41 18089235.01 15758182.92 15532367.68 18351922.45 12255737.26 22484343.01 12545878.56 16546116.59 24799327.56 8722745.622 12327177.64 13374966.51 9088569.256 8012919.585 911418.8324 NADP 22709492.61 22131701.83 21802080.16 19812962.55 17245068.91 18815016.57 20408661.13 16781300.98 18902338.82 19443315.59 19032233.83 18600356.36 22668971.38 26450627.58 23403580.02 28724110.14 27640721.73 27115157.06 21255739.96 15162773.85 16944550.36 22803743.09 NADPH 551738.8322 1219289.4 231096.8191 266814.5691 1357638.925 738925.901 116013.6586 1816722.041 3081873.194 3083908.096 2618062.649 2407315.305 4934249.667 2253664.726 4409260.033 4005859.639 1672758.145 2337139.885 5581095.841 5595032.997 5294145.919 1484964.014 niacinamide 442319822.7 505882028 446338795.9 415871168.6 467566284.1 484966928.2 415720858 381896770 429285906.2 418162856.1 507349112.5 441293615.4 281370023.8 312377877.8 331176391.8 388760762.5 290480487.7 303737669.6 296555964.6 311371479.4 347274231.3 360171485.3 Nicotinic Acid 3331865.373 11528060.8 3596502.273 3845116.921 3718749.507 3600637.266 5399323.994 4445397.295 4428985.669 2390550.615 3384319.71 3747409.615 3644573.162 3567277.324 3183179.035 4115737.157 3080361.524 2338933.42 1774571.98 2304374.753 2827176.338 1745408.322 O-phosphoethanolamine 1534011.223 1689429.757 1733251.168 1318108.632 1379016.396 1822383.209 1606502.809 1778689.058 2775337.305 2781999.947 2971477.772 2344414.537 2620485.13 2513294.673 2476587.322 2912796.168 3876524.784 3968579.417 4237720.946 3969823.28 4355849.006 3597674.177 ornithine 12137312.89 10584590.49 13804179.32 10917935.54 10184219.01 10519504.01 9931343.659 8636785.648 7685435.979 7687102.379 7691446.29 6987195.188 6342121.146 6406829.794 7030174.308 8358462.451 9407943.565 10962617.08 11608910.14 13213408.67 12183727.83 10685528.62 palmitate 166171349.2 194754181.7 303648636.8 200826361.4 131257892.8 203081227.4 227759127.3 204614750.7 225195088.3 139896160.2 127480718.5 154014739.8 114324234.2 135923723.4 160133607 289003521.2 168282860.9 149503357.8 188889777.7 126028300.7 125491980.3 135700996 Pantothenate 489407353.9 580968408.1 499604685.8 448942597.2 497568493.3 586095607.2 549138877.4 536436392.2 731761669.2 623904940 640330597 609544804.8 881797375.3 974077753.4 994112168.2 1103569714 1021326175 971908414.8 938532067.9 808538385.8 934641383.8 790709839.9 phenylalanine 89366872.28 100322434.5 100079767.1 89286095.28 100062017.5 120646058.6 110645008 105054998.8 136238272.8 130430337.9 133706541 123227353.5 118323898.8 121111616.9 129111573.9 153757835 222450135.8 244071292.5 229142461.1 230281737.4 229671983.7 196343969 phosphocholine 28014451387 30153413019 30826355451 27345836646 25339231860 30669659494 27307840470 27157245830 21145833354 19525733946 19350881815 19418274542 19675463220 20324991199 20928605623 26131853836 20662207742 21269402632 20635760712 17312364183 19004430327 16077372937 phosphoenolpyruvate 30776138.16 25162614.45 31372207.11 29587456.62 31641585.14 31134114.74 27191507.24 30182134.1 37276427.42 37030180.43 39358784.64 35320014.02 38744526.52 32907665.53 36450723.97 37012977.97 35977652.37 46546538.45 64346098.38 39438566.89 32570264.08 37893985.23 phosphoethanolamine 1039046.481 1248714.26 1087722.071 687982.9448 1066507.467 1285954.197 1244781.921 1154897.726 1867116.717 1955780.466 1653611.248 1318704.043 1550631.721 1754526.559 1991971.528 2100120.189 2546849.774 2802161.372 2445647.243 2746598.72 2814944.64 2500174.64 phosphoserine 192558.219 1313715.269 1846489.785 1158623.514 1836608.364 2269143.959 3648515.137 3559827.739 5073456.644 19182970.64 15176316.06 18508391.25 29155197.63 34498405.85 28265510.44 Picolinate 3701077.761 11878997.21 4029901.711 3400038.574 2998677.712 4869970.005 3314867.844 3940112.539 4423300.182 2528513.165 3503175.493 3747409.615 1799452.265 3411464.579 3155361.501 4020484.532 3055556.529 3461814.229 1612621.036 1391258.301 2827176.338 2257104.846 proline 12498564281 15013600289 13180496700 11122002321 12628963455 14580753363 14017232868 13850119559 10661026177 8716178640 9413183969 8336091345 6998246037 7164612288 7247586436 8215834157 8407999144 8409758704 8298047145 7792314864 8859445702 7125035422 propionylcarnitine 27758171.01 29329547.8 25887122.89 21269465.69 11651732.05 13678363.33 11201853.22 15649607.17 7074531.933 8415267.444 7589313.444 9914596.198 2074329.063 2807700.999 3611948.001 3066964.571 2687273.636 2293869.551 3160608.45 3500277.601 2819515.805 2074682.699 PRPP 9363053.079 7300575.738 10329574.12 7382546.956 14246110.49 17313830.13 17048155.36 17394402.38 60626263.07 50303992.64 48954929.37 55678490.08 39004944.91 39469809.74 36687402.5 35278222.31 23671610.12 26321028.17 27811656.31 25029597.09 23534232.12 18791637.21 pseudouridine 1492973.193 1630177.276 1457820.064 1123888.5 1367479.225 1634876.13 1357035.124 1391569.383 1671136.046 1285186.288 1193532.537 1284101.259 1596273.797 1645809.579 1796566.902 2032854.323 1181481.3 1148379.152 944717.7159 831052.6337 804439.4567 615337.978 Pyridoxal 22664250.4 25493163.41 24768570.9 21876526.28 18344362.81 23929645.11 26316051.36 23099607.82 27603252.93 24662690.64 27645537.37 27518200.89 32880575.41 36492304.81 39871699.1 44789971.69 37871221.88 35653296.33 35489451.84 29242897.2 33205189.94 28599584.59 Pyridoxine 316873121.1 400447981.5 356722739.4 311278496.8 352612557.2 466082809.8 470623189.7 422858729.1 476943129.9 415700104.1 440425362.7 393996476.3 377732414.8 410320873.3 417511874.8 490718778.7 481553597.7 514426163 468186143.9 448765414.3 478887782.8 389068215.1 pyruvate 49186639.9 49165942.93 43779818.33 35532283.19 26855155.8 41944086.99 47269776.03 31538095.11 39671176.15 34644432.07 38514556.06 35203113.18 29912857.86 21145229.8 26216366.89 34329110.7 17283230.07 25850588.11 19751358.3 16369164.25 17203435.79 14526356.3 quinolinic acid #VALUE! 956714.617 1252176.702 1067720.011 504010.6272 1075761.021 1796375.357 387107.8987 212399.2491 520733.7619 595334.6773 584386.3 490898.4432 318354.4277 374918.1507 757048.101 360792.8621 833776.4908 334787.9956 512445.2086 #VALUE! 836588.8332 Ribose-1-phosphate 5387944.062 6064569.203 5556304.597 5583707.222 8316246.254 8449093.44 7919785.81 8560585.438 31062389.3 27627470.94 26771017.3 24624131.93 13523922.95 16340884.82 17178255.99 17982392.17 10110490.14 11329322 9335396.836 8018977.477 8747918.551 8307887.011 Ribose Ribulose 5-phosphate 3Me-Lys 23856165.47 28195400.55 26347609.88 24156056.83 26628852.21 29718781.6 31287336.37 28446838.3 39012208.04 35354430.14 33229961.07 30852725.95 26997257.57 28587638.93 31116903.53 31337813.93 27122070.45 28325923.4 24584351.42 20063672.53 22749084.57 21833479.84 S-Adenosyl-L-Homocysteine 12642180.21 11768313.59 12648357.4 12239184.94 12113277.19 11931039.83 12111397.73 10890497.23 12997912.38 13635221.32 13161236.54 11344642.26 11739469.72 11469211.61 11919190.81 12128703.62 10127104.99 10346509.51 9821707.484 8324898.972 9063489.598 8514765.879 S-Adenosyl-L-methionine 404731943 456257905.4 477816520.4 364080527.4 377513505.8 458944542.9 447079949.6 380476803.7 313257957.3 278266757.5 272789048.5 258226026.2 354994735.6 364185216.8 416060421.7 561955455.8 392679747.6 421400205 408489799.7 328888104.4 383829754.4 310824207.6 sarcosine 420878817.1 444969208.7 403062712.8 363462752.6 347288953 331446111.1 299292362.9 335030913.8 627283135.1 590618102.9 624336709 578222523.6 715845102.4 762742942.3 763590497.1 858232723.2 416149729.5 436242409.3 373024077.2 289817186.4 265139123.6 232644398.7 Sedoheptulose-7-phosphate 112418555.6 134896572.6 125115242.1 112607502.7 127316420.9 160025548.8 149077964.3 146863994.3 55181739.32 43300033.64 45963712.71 41107627.17 42296536.05 40515261.49 38741120.75 43904757.39 29512250.74 30688773.31 26332985.36 25355715.2 22685202.4 18206951.5 serine 8820395.94 9308161.147 11572270.37 9230078.033 8013243.496 10875157.13 7134818.36 12036380.7 168508176.3 163963932.2 146199055.1 156637442.7 179089946.4 215984880.1 224505932.5 271991424.1 306537976.7 303857820.3 288781256.7 299664830.9 318783284.5 256640969.6 sorbitol 2009028.453 1592407.49 2221945.529 1269277.787 1398174.434 2092125.135 2032154.939 2295946.114 2848038.182 2511177.449 2938777.818 3267199.419 2321859.693 2846344.549 2584540.227 3001373.62 1428985.555 1548291.511 1611738.178 1635708.228 1226695.685 1063482.562 succinate 64197084.59 82873105.2 69839055.79 61372557.69 48897743.45 55788753.69 47954346.12 64927671.61 65566868.34 57864064.96 62365627.86 73852316.03 41032652.13 50593578.26 50517906.65 59288832.51 49188335.03 47796194.25 42361042.06 38140144.11 44334151.79 33423199.87 succinyl-CoA 4609268.89 5012529.108 4353055.387 4562567.348 3409367.212 2780150.797 3012157.081 3586813.699 2948602.867 3216294.591 2996986.777 3314781.65 2840565.26 2886081.904 2955615.292 3131413.471 2207630.663 2378812.258 2321095.62 2011259.796 2387760.008 1844830.007 threonine 164004894.7 183193796.2 176605465.9 154180113.9 148969823.7 182459435.1 165952206.3 168517698.7 212718822.7 179542064.6 181491526.1 183917085.6 240490222.7 242857076.1 250315008.3 311106306.6 354055296.3 382217054 361564746.3 337665648.2 366705396.1 328648989 trans-urocanate 14422018.52 10422057.37 37529535.1 17215156.66 5800718.432 9575026.377 9181682.831 11649616.65 9703556.734 4360562.678 4763341.573 18375006.66 7876853.733 5415121.145 6477997.013 6305193.765 17563530.93 8552048.087 18922721 71531960.61 47470570.36 10448258.87 tryptophan 53867279.05 62469173.28 57986399.5 53209958.98 61318791.54 69377149.86 70794879.59 65012979.11 82129252.93 76496771.97 79706922.2 71825464.58 70667802.02 71944694.9 72981727.19 86831069.86 119799783.5 136129141 127849040.4 135608318.1 138574872.7 119217649.3 tyrosine 413060329.3 490534267.5 450761647.8 398146371.3 406559303.1 462584729.6 462349581.8 423809430 472183043.9 422968631.5 431496638.6 400507297.9 431558694.9 434242271.2 429249454.8 496750296.1 477104228.9 516830475.9 493684187.2 453684800.9 485187339.8 454502978.3 UDP-GlcNAc 228993911.2 242204942.9 238833823 218478587.7 186647361.1 191626881.3 193120528.3 204107527.7 200355340 186678583.2 181429091.9 205797006.7 206894799.9 224640437.9 247043130.3 291159675.4 238993931.1 256328031.1 242286055.5 218179713.5 237567366.8 209556234.6 UDP-hexose 139667310.1 128531130 132648166.6 121199540.8 114882821.6 129427848.9 125773588 119174075.7 156745472.1 154567035.5 152634552 161770033.5 187096697.3 182737768 191557745.6 197003999.9 160880671.3 181976702.2 185881524 166744585.7 144525999.1 160972311.4 UDP 31457224.61 27106475.44 26091535.06 24530442.7 19809075.58 27412146.11 23017203.47 19862389.52 24556295.16 50299345.02 51894686.21 31361584.43 27803455.48 26216392.16 27062297.55 25125775.91 27806071.33 27416866.74 26059133.56 25114675.24 21329135.87 38340685.36 UMP 3971609.344 4196165.929 4169470.937 3981885.532 3033264.944 3490781.488 3098559.79 3720236.486 4226297.823 4141243.773 4546246.069 4528688.529 4318936.209 4894942.298 4775231.587 5467970.145 3531637.353 4674361.45 4339971.696 3757346.756 4150909.668 4086135.492 uracil 15388762.68 17593126.31 17748309.03 14955438.42 26512918.11 30397292.74 18316765.98 16911832.85 68565794.25 57710028.32 56859088.17 54300752.59 95243830.07 103403455.1 103443602 117198326.7 96632478.54 89167879.41 81353043.09 69430038.99 87563515.85 58787227.1 UTP 325315290.5 203841551.2 324548177.2 287449197.5 306837639.9 254734361.2 266233091.8 264361075.4 320799391.7 419293379.7 416203734 493267008.2 494035259 379774508.3 361419721.4 353745065.3 299183087.7 377996151 480281743.2 400458971.6 285945841.4 424777686.6 xanthine 338034.3326 361215.8847 521551.255 421129.0791 282957.9184 506912.6389 387416.9394 617061.5496 403335.8955 297270.1032 422257.7347 331822.3296 595615.7176 682113.3997 739511.7459 987875.137 363653.7266 424697.4293 442806.395 529650.3403 495412.8386 304452.9101 xanthosine 180644.6429 82502.12174 53074.01744 81194.48181 55063.331 45212.62966 56782.39994 30843.95135 98659.08486 133925.2129 125110.7465 166406.2679 98311.33571 106050.4679 188121.7112 131023.4847 65818.9498 28262.01087 33157.56903 35576.87635 33806.84093 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Standardized name Formula Exact mass Sub class 2,3-Bisphosphoglyceric acid - - - - 2-hydroxybutyric 2-Hydroxybutyric acid C4H8O3 104.0473 Hydroxy FA 2-hydroxyglutarate 2-Hydroxyglutaric acid C5H8O5 148.0372 Dicarboxylic acids 3-hydroxybutyric acid 3-Hydroxybutyric acid C4H8O3 104.0473 Hydroxy FA 3-methyl-2-oxopentanoic acid 3-Methyl-2-oxovaleric acid C6H10O3 130.0630 Short-chain keto acids 3-phosphoglycerate 3-Phosphoglyceric acid C3H7O7P 185.9929 Short-chain acids 4-Hydroxyphenylpyruvic acid 4-Hydroxyphenylpyruvic acid C9H8O4 180.0423 Phenolic acids 6-phosphogluconate 6-Phosphogluconic acid C6H13O10P 276.0246 Monosaccharide phosphates Acetyl CoA Acetyl-CoA C23H38N7O17P3S 809.1258 Acyl CoAs acetylcarnitine CAR 2:0 C9H17NO4 203.1158 Acyl carnitines acetylglutamate N-Acetylglutamic acid C7H11NO5 189.0637 Amino acids acetylserine O-Acetylserine C5H9NO4 147.0532 Amino acids ADP ADP C10H15N5O10P2 427.0294 Purine rNDP AICAR AICAR C9H14N4O5 258.0964 Imidazole ribonucleosides and ribonucleotides alanine Alanine C3H7NO2 89.0477 Amino acids alpha-keto-isovalerate Ketoisovaleric acid C5H8O3 116.0473 Branched FA Alpha-Lipoic Acid Lipoic acid C8H14O2S2 206.0435 Thia FA AMP AMP C10H14N5O7P 347.0631 Purine rNMP arginine Arginine C6H14N4O2 174.1117 Amino acids argininosuccinate Argininosuccinic acid C10H18N4O6 290.1226 Amino acids ascorbate Vitamin C C6H8O6 176.0321 Gamma butyrolactones asparagine Asparagine C4H8N2O3 132.0535 Amino acids aspartate Aspartic acid C4H7NO4 133.0375 Amino acids asymmetric dimethylarginine Dimethylarginine C8H18N4O2 202.1430 Amino acids ATP ATP C10H16N5O13P3 506.9958 Purine rNTP beta-alanine beta-Alanine C3H7NO2 89.0477 Amino acids betaine Betaine C5H11NO2 117.0790 Amino acids biotin Biotin C10H16N2O3S 244.0882 Biotins Butyrylcarnitine CAR 4:0 C11H21NO4 231.1471 Acyl carnitines cAMP 3',5' cyclic AMP C10H12N5O6P 329.0525 Purine rNMP carnitine Carnitine C7H15NO3 161.1052 Carnitines CDP CDP C9H15N3O11P2 403.0182 Pyrimidine rNDP choline Choline C5H14NO 104.1075 Cholines cis-aconitate cis-Aconitic acid C6H6O6 174.0164 TCA acids citrate Citric acid C6H8O7 192.0270 TCA acids CMP CMP C9H14N3O8P 323.0519 Pyrimidine rNMP Coenzyme A Coenzyme A C21H36N7O16P3S 767.1152 Other purines creatine Creatine C4H9N3O2 131.0695 Amino acids creatinine Creatinine C4H7N3O 113.0589 Imidazolines CTP CTP C9H16N3O14P3 482.9845 Pyrimidine rNTP cystathionine Cystathionine C7H14N2O4S 222.0674 Amino acids cystine Cystine C6H12N2O4S2 240.0239 Amino acids cytidine Cytidine C9H13N3O5 243.0855 Pyrimidine ribonucleosides cytosine Cytosine C4H5N3O 111.0433 Pyrimidones dATP dATP C10H16N5O12P3 491.0008 Purine dNTP dCTP dCTP C9H16N3O13P3 466.9896 Pyrimidine dNTP dCytidine Deoxycytidine C9H13N3O4 227.0906 Pyrimidine deoxyribonucleosides dihydroxyacetone phosphate Dihydroxyacetone phosphate C3H7O6P 169.9980 Short-chain acids dTTP dTTP C10H17N2O14P3 481.9893 Pyrimidine dNTP dUMP dUMP C9H13N2O8P 308.0410 Pyrimidine dNMP erythrose-4-phosphate Erythrose 4-phosphate C4H9O7P 200.0086 Monosaccharide phosphates F6P_G1P - - - - FAD FAD C27H33N9O15P2 785.1571 Flavin nucleotides formylmethionine N-Formylmethionine C6H11NO3S 177.0460 Amino acids Fructose 1,6-bisphosphate Fructose 1,6-bisphosphate C6H14O12P2 339.9961 Monosaccharide phosphates fumarate Fumaric acid C4H4O4 116.0110 TCA acids GAR GAR C7H15N2O8P 286.0566 Glycinamide ribonucleotides GDP GDP C10H15N5O11P2 443.0243 Purine rNDP Glucose 6-phosphate Glucose 6-phosphate C6H13O9P 260.0297 Monosaccharide phosphates glucose Glucose C6H12O6 180.0634 Hexoses glutamate Glutamic acid C5H9NO4 147.0532 Amino acids glutamine Glutamine C5H10N2O3 146.0691 Amino acids glycerate Glyceric acid C3H6O4 106.0266 Sugar acids Glycerol 3-Phosphate sn-Glycero-3-phosphate C3H9O6P 172.0137 Organic phosphoric acids Glycerophosphocholine sn-Glycero-3-phosphocholine C8H20NO6P 257.1028 Organic phosphoric acids glycine Glycine C2H5NO2 75.0320 Amino acids GMP GMP C10H14N5O8P 363.0580 Purine rNMP GSH Glutathione C10H17N3O6S 307.0838 Tripeptides GSSG Oxidized glutathione C20H32N6O12S2 612.1520 Tripeptides GTP GTP C10H16N5O14P3 522.9907 Purine rNTP guanine Guanine C5H5N5O 151.0494 Hypoxanthines guanosine Guanosine C10H13N5O5 283.0917 Purine ribonucleosides GUANOSINE_15N5 Guanosine C10H13N5O5 283.0917 Purine ribonucleosides histidine Histidine C6H9N3O2 155.0695 Amino acids hydroxyproline gammaALA - - - - hypotaurine Hypotaurine C2H7NO2S 109.0198 Sulfinic acids hypoxanthine Hypoxanthine C5H4N4O 136.0385 Hypoxanthines IMP IMP C10H13N4O8P 348.0471 Purine rNMP inosine Inosine C10H12N4O5 268.0808 Purine ribonucleosides isoleucine Isoleucine C6H13NO2 131.0946 Amino acids Itaconic Acid Itaconic acid C5H6O4 130.0266 Dicarboxylic acids kynurenine Kynurenine C10H12N2O3 208.0848 Amino acids lactic acid Lactic acid C3H6O3 90.0317 Short-chain acids leucine Leucine C6H13NO2 131.0946 Amino acids lysine Lysine C6H14N2O2 146.1055 Amino acids malate D-Malic acid C4H6O5 134.0215 Beta hydroxy acids Methionine sulfoxide Methionine sulfoxide C5H11NO3S 165.0460 Amino acids methionine Methionine C5H11NO2S 149.0511 Amino acids methylthioadenosine Methylthioadenosine C11H15N5O3S 297.0896 Purine ribonucleosides myo-inositol Myo-inositol C6H12O6 180.0634 Inositols N-acetylcysteine N-Acetylcysteine C5H9NO3S 163.0303 Amino acids N-acetylglutamate N-Acetylglutamic acid C7H11NO5 189.0637 Amino acids N-acetylglutamine N-Acetylglutamine C7H12N2O4 188.0797 Amino acids N-acetyllysine N(2)-Acetyllysine C8H16N2O3 188.1161 Amino acids N-acetylmethionine N-Acetylmethionine C7H13NO3S 191.0616 Amino acids NAD+ NAD+ C21H27N7O14P2 663.1091 Nicotinamide dinucleotides NADH NADH C21H29N7O14P2 665.1248 Nicotinamide dinucleotides NADP NADP+ C21H28N7O17P3 743.0755 Nicotinamide dinucleotides NADPH NADPH C21H30N7O17P3 745.0911 Nicotinamide dinucleotides niacinamide Niacinamide C6H6N2O 122.0480 Pyridine alkaloids Nicotinic Acid Nicotinic acid C6H5NO2 123.0320 Pyridine alkaloids O-phosphoethanolamine Phosphoethanolamine C2H8NO4P 141.0191 Phosphoethanolamines ornithine Ornithine C5H12N2O2 132.0899 Amino acids palmitate Palmitic acid C16H32O2 256.2402 Saturated FA Pantothenate Pantothenic acid C9H17NO5 219.1107 Amino acids phenylalanine Phenylalanine C9H11NO2 165.0790 Amino acids phosphocholine Choline phosphate C5H14NO4P 183.0660 Cholines phosphoenolpyruvate Phosphoenolpyruvic acid C3H5O6P 167.9824 Short-chain acids phosphoethanolamine Phosphoethanolamine C2H8NO4P 141.0191 Phosphoethanolamines phosphoserine Phosphoserine C3H8NO6P 185.0089 Amino acids Picolinate Picolinic acid C6H5NO2 123.0320 Pyridine alkaloids proline Proline C5H9NO2 115.0633 Amino acids propionylcarnitine CAR 3:0 C10H19NO4 217.1314 Acyl carnitines PRPP Phosphoribosyl pyrophosphate C5H13O14P3 389.9518 Monosaccharide phosphates pseudouridine Pseudouridine C9H12N2O6 244.0695 Pyrimidine ribonucleosides Pyridoxal Pyridoxal C8H9NO3 167.0582 Pyridine alkaloids Pyridoxine Pyridoxine C8H11NO3 169.0739 Pyridine alkaloids pyruvate Pyruvic acid C3H4O3 88.0160 Short-chain acids quinolinic acid Quinolinic acid C7H5NO4 167.0219 Pyridine alkaloids Ribose-1-phosphate Ribose 1-phosphate C5H11O8P 230.0192 Monosaccharide phosphates Ribose Ribulose 5-phosphate 3Me-Lys - - - - S-Adenosyl-L-Homocysteine S-Adenosylhomocysteine C14H20N6O5S 384.1216 Other purines S-Adenosyl-L-methionine S-Adenosylmethionine C15H23N6O5S 399.1451 Other purines sarcosine Sarcosine C3H7NO2 89.0477 Amino acids Sedoheptulose-7-phosphate Sedoheptulose 7-phosphate C7H15O10P 290.0403 Monosaccharide phosphates serine Serine C3H7NO3 105.0426 Amino acids sorbitol Sorbitol C6H14O6 182.0790 Sugar alcohols succinate Succinic acid C4H6O4 118.0266 TCA acids succinyl-CoA Succinyl-CoA C25H40N7O19P3S 867.1313 Acyl CoAs threonine Threonine C4H9NO3 119.0582 Amino acids trans-urocanate Urocanic acid C6H6N2O2 138.0429 Imidazole alkaloids tryptophan Tryptophan C11H12N2O2 204.0899 Amino acids tyrosine Tyrosine C9H11NO3 181.0739 Amino acids UDP-GlcNAc UDP-N-acetylglucosamine C17H27N3O17P2 607.0816 Pyrimidine ribonucleosides UDP-hexose UDP-hexose C15H24N2O17P2 566.0550 Pyrimidine rNDP UDP UDP C9H14N2O12P2 404.0022 Pyrimidine rNDP UMP UMP C9H13N2O9P 324.0359 Pyrimidine rNMP uracil Uracil C4H4N2O2 112.0273 Other pyrimidines UTP UTP C9H15N2O15P3 483.9685 Pyrimidine rNTP xanthine Xanthine C5H4N4O2 152.0334 Xanthines xanthosine Xanthosine C10H12N4O6 284.0757 Purine ribonucleosides METABOLITES_END #END