#METABOLOMICS WORKBENCH alanyl_20251204_065215 DATATRACK_ID:6836 STUDY_ID:ST004464 ANALYSIS_ID:AN007481 PROJECT_ID:PR002390 VERSION 1 CREATED_ON December 17, 2025, 3:09 pm #PROJECT PR:PROJECT_TITLE In vivo CRISPR screen identifies copper metabolism as a vulnerability in acute PR:PROJECT_TITLE lymphoblastic leukemia PR:PROJECT_SUMMARY The nutrient-sparse cerebrospinal fluid (CSF) poses a significant challenge to PR:PROJECT_SUMMARY spreading cancer cells. Despite this challenge, leukemia often spreads to the PR:PROJECT_SUMMARY CSF and represents a significant clinical complication. To uncover nutritional PR:PROJECT_SUMMARY dependencies of leukemia cells in the CSF that could be targeted PR:PROJECT_SUMMARY therapeutically, we conducted an in vivo targeted CRISPR screen in a xenograft PR:PROJECT_SUMMARY model of leukemia. We found that SLC31A1, the primary cell surface copper PR:PROJECT_SUMMARY importer, is a genetic dependency of leukemia in both the central nervous system PR:PROJECT_SUMMARY as well as in the hematopoietic organs. Perturbation of copper metabolism leads PR:PROJECT_SUMMARY to complex IV deficiency, perturbed nucleotide metabolism and slowed leukemia PR:PROJECT_SUMMARY cell proliferation. Furthermore, nutritional copper depletion reduced cancer PR:PROJECT_SUMMARY progression in cell line based and patient-derived xenograft models of leukemia. PR:PROJECT_SUMMARY Copper thus appears to be an actionable micronutrient in leukemia. PR:INSTITUTE Boston Children's Hospital PR:DEPARTMENT Pathology PR:LABORATORY Naama Kanarek PR:LAST_NAME Wong PR:FIRST_NAME Alan PR:ADDRESS 300 Longwood Avenue, Boston, MA, 02115, USA PR:EMAIL alan.wong@childrens.harvard.edu PR:PHONE (617) 355-7433 PR:FUNDING_SOURCE NCI 1R01CA282477-01A1 #STUDY ST:STUDY_TITLE Polar metabolite profiling of SEM-luciferase cells purified from the skulls and ST:STUDY_TITLE spleens of mice on copper replete diet (CuR+vehicle) or copper depleted diet ST:STUDY_TITLE with zinc acetate drinking water (CuD+ZnAc) and pulsed with 3-13C serine tracer. ST:STUDY_SUMMARY This study aimed to measure differences in purine synthesis between leukemia ST:STUDY_SUMMARY cells from the central nervous system (CNS) and spleens of mice, and also to ST:STUDY_SUMMARY determine the effect of copper depletion on purine synthesis in these two sites. ST:STUDY_SUMMARY Mice were irradiated, engrafted with leukemia cells and randomized to either ST:STUDY_SUMMARY CuR+vehicle or CuD+ZnAc treatments. 16 hours prior to harvest, mice were dosed ST:STUDY_SUMMARY with 800mg/kg 3-13C serine by intraperitoneal injection. Leukemia cells were ST:STUDY_SUMMARY harvested from the CNS and spleens of mice using magnet-activated cell sorting ST:STUDY_SUMMARY (MACS). This experiment revealed accumulation of purine synthesis intermediates ST:STUDY_SUMMARY in CNS leukemia cells compared to splenic leukemia cells, and that copper ST:STUDY_SUMMARY depletion leads to reduced label incorporation into purines. ST:INSTITUTE Boston Childrens Hospital ST:LAST_NAME Wong ST:FIRST_NAME Alan ST:ADDRESS 300 Longwood Avenue ST:EMAIL alan.wong@childrens.harvard.edu ST:PHONE (617) 355-7433 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - 20251030_QE1_HILIC_SEMserineMACS_AYW1357 Sample source:CNS | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1357.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1358 Sample source:Spleen | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1358.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1359 Sample source:CNS | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1359.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1360 Sample source:Spleen | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1360.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1361 Sample source:CNS | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1361.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1362 Sample source:Spleen | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1362.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1363 Sample source:CNS | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1363.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1364 Sample source:Spleen | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1364.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1365 Sample source:CNS | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1365.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1366 Sample source:Spleen | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1366.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1367 Sample source:CNS | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1367.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1368 Sample source:Spleen | treatment:CuR+Vehicle RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1368.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1369 Sample source:CNS | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1369.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1370 Sample source:Spleen | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1370.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1371 Sample source:CNS | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1371.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1372 Sample source:Spleen | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1372.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1373 Sample source:CNS | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1373.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1374 Sample source:Spleen | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1374.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1375 Sample source:CNS | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1375.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1376 Sample source:Spleen | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1376.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1377 Sample source:CNS | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1377.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1378 Sample source:Spleen | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1378.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1379 Sample source:CNS | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1379.raw SUBJECT_SAMPLE_FACTORS - 20251030_QE1_HILIC_SEMserineMACS_AYW1380 Sample source:Spleen | treatment:CuD+ZnAc RAW_FILE_NAME(raw file name)=20251030_QE1_HILIC_SEMserineMACS_AYW1380.raw #COLLECTION CO:COLLECTION_SUMMARY Mice were anesthetized with ketamine/xylazine (100-120mg/kg; and 10mg/kg by CO:COLLECTION_SUMMARY intraperitoneal injection), and cells were harvested from the skulls and spleens CO:COLLECTION_SUMMARY of mice by blunt dissection into 1xPBS with 2% FBS and 2mM EDTA on ice (PBE). CO:COLLECTION_SUMMARY Cells were pelleted, then resuspended in 160uL of PBE, and 50uL of Mouse Cell CO:COLLECTION_SUMMARY Depletion Cocktail (Miltenyi Biotec cat #130-104-694) was added per sample and CO:COLLECTION_SUMMARY samples incubated on ice for 5 minutes. While incubating, one LS column CO:COLLECTION_SUMMARY (Miltenyi Biotec 130-042-401) per sample was affixed to a QuadroMACS magnet CO:COLLECTION_SUMMARY (Miltenyi Biotec 130-091-051) and primed using 3mL of ice-cold PBE. The cell CO:COLLECTION_SUMMARY suspension was then applied to each column and the flow-through containing CO:COLLECTION_SUMMARY unlabelled, human leukemia cell-enriched fraction was collected. The column was CO:COLLECTION_SUMMARY washed with an additional 2x1mL of PBE and the flow-through collected as well. CO:COLLECTION_SUMMARY The columns were then discarded. The flow-through was spun at 4000g for 1 minute CO:COLLECTION_SUMMARY at 4C, and the cell pellet resuspended in 1mL of 0.9% NaCl. After an additional CO:COLLECTION_SUMMARY 20 second spin at 4C and 21,000rcf, pelleted cells were resuspended in 100% CO:COLLECTION_SUMMARY LC-MS grade methanol for metabolite detection. CO:SAMPLE_TYPE Leukemia cells #TREATMENT TR:TREATMENT_SUMMARY NOD-SCID mice (5 weeks or older) were randomized by cage to either a copper TR:TREATMENT_SUMMARY replete diet (6ppm, Teklad TD.240097) with 2% sucrose in the drinking water TR:TREATMENT_SUMMARY (SigmaAldrich S0389-1kg) or copper deficient diet (0.3-0.7ppm, Teklad TD.240098) TR:TREATMENT_SUMMARY with 2% sucrose and zinc acetate (SigmaAldrich 383317-25g) in the drinking TR:TREATMENT_SUMMARY water. The zinc acetate dose was 2g/L for 4 weeks (2 weeks prior to injection TR:TREATMENT_SUMMARY and 2 weeks after); after this treatment period, all mice were switched to TR:TREATMENT_SUMMARY autoclaved water. Mice were allowed to consume food and water ad libitum, and TR:TREATMENT_SUMMARY the food and water was replaced every week. Two weeks after starting these TR:TREATMENT_SUMMARY treatments, mice were irradiated (250 rads) and then engrafted with 3 million TR:TREATMENT_SUMMARY SEM-luciferase cells in 200uL sterile 0.9% NaCl by tail vein injection. On the TR:TREATMENT_SUMMARY 25th day after injection, 16 hours prior to euthanasia, all mice were dosed with TR:TREATMENT_SUMMARY 800mg/kg 3-13C labelled serine in sterile 0.9% NaCl by intraperitoneal TR:TREATMENT_SUMMARY injection. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Cell pellet was resuspended in 400uL of 100% LC-MS grade methanol supplemented SP:SAMPLEPREP_SUMMARY with 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]) with repeated pipetting up and down and vortexing SP:SAMPLEPREP_SUMMARY for 10 seconds. Then, 100uL of LCMS-grade water containing 125 mM Ammonium SP:SAMPLEPREP_SUMMARY Acetate, 10 mM Na-Ascorbate, and 7.9 mg/mL 5,5-dithio-bis-(2-nitrobenzoic acid SP:SAMPLEPREP_SUMMARY (Ellman's reagent) was added, and the sample vortex for another 10 seconds. SP:SAMPLEPREP_SUMMARY Samples were then centrifuged for 10 minutes at 18,000 g to pellet cell debris. SP:SAMPLEPREP_SUMMARY The supernatant was transferred to a new tube and dried on ice using a liquid SP:SAMPLEPREP_SUMMARY nitrogen dryer. The dried metabolites were then resuspended in 30uL and 2uL was SP:SAMPLEPREP_SUMMARY injected. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 2 μL of each sample was injected into a ZIC-pHILIC 150 x 2.1 mm (5 μm particle CH:CHROMATOGRAPHY_SUMMARY size) column (EMD Millipore) operated on a Vanquish™ Flex UHPLC system (Thermo CH:CHROMATOGRAPHY_SUMMARY Fisher Scientific). Chromatographic separation was achieved using the following CH:CHROMATOGRAPHY_SUMMARY conditions: buffer A was 95% acetonitrile and 5% 20 mM ammonium carbonate, 0.1% CH:CHROMATOGRAPHY_SUMMARY ammonium hydroxide in water; buffer B was 95% 20 mM ammonium carbonate, 0.1% CH:CHROMATOGRAPHY_SUMMARY ammonium hydroxide in water and 5% acetonitrile. Gradient conditions used were: CH:CHROMATOGRAPHY_SUMMARY 0-17.5 min: linear gradient from 16.6% to 75.0% B; 17.5-18.0 min: linear CH:CHROMATOGRAPHY_SUMMARY gradient from 75.0% to 85.0% B; 18-20.0 min: hold at 85.0% B; 20.0-20.5 min: CH:CHROMATOGRAPHY_SUMMARY from 85.0% to 16.6% B; 20.5-24 min: hold at 16.6% B at 0.150 mL/min flow rate. CH:CHROMATOGRAPHY_SUMMARY 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 SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 95% acetonitrile/5% water; 20mM ammonium carbonate; 0.1% ammonium hydroxide CH:SOLVENT_B 95% water/5% acetonitrile; 20mM ammonium carbonate; 0.1% ammonium hydroxide CH:FLOW_GRADIENT 0-17.5 min: linear gradient from 16.6% to 75.0% B; 17.5-18.0 min: linear CH:FLOW_GRADIENT gradient from 75.0% to 85.0% B; 18-20.0 min: hold at 85.0% B; 20.0-20.5 min: CH:FLOW_GRADIENT from 85.0% to 16.6% B; 20.5-24 min: hold at 16.6% B CH:FLOW_RATE 0.15 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 MS data acquisition was performed using a QExactive benchtop orbitrap mass MS:MS_COMMENTS spectrometer equipped with an Ion Max source and a HESI II probe (Thermo Fisher MS:MS_COMMENTS Scientific) and polarity switching was used. Two scans were used: full scans in MS:MS_COMMENTS both positive and negative ionization mode in a range of m/z = 70–1000, with MS:MS_COMMENTS the resolution set at 70,000, the AGC target at 1 × 10e6, and the maximum MS:MS_COMMENTS injection time (Max IT) at 20 msec from 0-20 minutes. Tune file parameters were: MS:MS_COMMENTS spray voltage = 3.5kV, capillary temperature = 320C, S-lens RF = 50, auxillary MS:MS_COMMENTS gas temperature = 350C. Targeted TraceFinder analysis for unlabelled MS:MS_COMMENTS metabolites, normalized to internal standards and total well-detected polar MS:MS_COMMENTS metabolites. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized peak area MS_METABOLITE_DATA_START Samples 20251030_QE1_HILIC_SEMserineMACS_AYW1357 20251030_QE1_HILIC_SEMserineMACS_AYW1358 20251030_QE1_HILIC_SEMserineMACS_AYW1359 20251030_QE1_HILIC_SEMserineMACS_AYW1360 20251030_QE1_HILIC_SEMserineMACS_AYW1361 20251030_QE1_HILIC_SEMserineMACS_AYW1362 20251030_QE1_HILIC_SEMserineMACS_AYW1363 20251030_QE1_HILIC_SEMserineMACS_AYW1364 20251030_QE1_HILIC_SEMserineMACS_AYW1365 20251030_QE1_HILIC_SEMserineMACS_AYW1366 20251030_QE1_HILIC_SEMserineMACS_AYW1367 20251030_QE1_HILIC_SEMserineMACS_AYW1368 20251030_QE1_HILIC_SEMserineMACS_AYW1369 20251030_QE1_HILIC_SEMserineMACS_AYW1370 20251030_QE1_HILIC_SEMserineMACS_AYW1371 20251030_QE1_HILIC_SEMserineMACS_AYW1372 20251030_QE1_HILIC_SEMserineMACS_AYW1373 20251030_QE1_HILIC_SEMserineMACS_AYW1374 20251030_QE1_HILIC_SEMserineMACS_AYW1375 20251030_QE1_HILIC_SEMserineMACS_AYW1376 20251030_QE1_HILIC_SEMserineMACS_AYW1377 20251030_QE1_HILIC_SEMserineMACS_AYW1378 20251030_QE1_HILIC_SEMserineMACS_AYW1379 20251030_QE1_HILIC_SEMserineMACS_AYW1380 Factors Sample source:CNS | treatment:CuR+Vehicle Sample source:Spleen | treatment:CuR+Vehicle Sample source:CNS | treatment:CuR+Vehicle Sample source:Spleen | treatment:CuR+Vehicle Sample source:CNS | treatment:CuR+Vehicle Sample source:Spleen | treatment:CuR+Vehicle Sample source:CNS | treatment:CuR+Vehicle Sample source:Spleen | treatment:CuR+Vehicle Sample source:CNS | treatment:CuR+Vehicle Sample source:Spleen | treatment:CuR+Vehicle Sample source:CNS | treatment:CuR+Vehicle Sample source:Spleen | treatment:CuR+Vehicle Sample source:CNS | treatment:CuD+ZnAc Sample source:Spleen | treatment:CuD+ZnAc Sample source:CNS | treatment:CuD+ZnAc Sample source:Spleen | treatment:CuD+ZnAc Sample source:CNS | treatment:CuD+ZnAc Sample source:Spleen | treatment:CuD+ZnAc Sample source:CNS | treatment:CuD+ZnAc Sample source:Spleen | treatment:CuD+ZnAc Sample source:CNS | treatment:CuD+ZnAc Sample source:Spleen | treatment:CuD+ZnAc Sample source:CNS | treatment:CuD+ZnAc Sample source:Spleen | treatment:CuD+ZnAc 2-aminobutyric acid 106558701.1 111076549.5 134157071.6 180823329.1 131796353.6 138623334.2 328050304.8 259164230.9 153015539.6 167613167.9 264868475 266736413.4 94300380.4 127301841.6 102777080.9 152990527.6 87276113.56 91187123.8 67130993.36 77652166.66 101288160.1 121625661.1 75129685.24 109480578.2 2-hydroxyglutarate 6306993550 2235280643 3616211219 4306364857 2225709165 9544642042 2333909883 21106588264 2234305012 2450661799 2818986546 4877610760 7813214518 39622286722 15284774997 27403882274 2507969489 9612609671 2578236541 6112286716 2055311506 7401377917 3826599130 27798446774 3-methyl-2-oxopentanoic acid 61054930.18 29438762.58 59338886.89 34745512.38 57467212.44 55054908.35 42976623.91 86950295.21 65517219.13 33115592.03 57331395.63 41800037.69 57486979.45 152627128.7 97099669.49 122094874.8 59908410.82 59441025.21 51288798.33 41495494.11 75391598.71 41785400.03 49401525.05 109832318.7 3-phosphoglycerate 99661850 239999862.7 116867935.3 160274945.4 130531359.3 119353999.3 75327791.03 46905917.33 134997326.2 189820779.2 94803613.8 160415085.7 67047653.5 14571156.93 67474156.03 70473643.08 121363701 82860430.8 116146749.6 119315388.3 165152884.7 128155135.7 103668238 37042761.75 adenine 24980774.81 34537709.49 40255230.43 45426044.32 30512267.06 42785048.21 20231721.87 28046354.82 25972413.4 43356317.1 24246018.05 48261937.98 31609833.74 20655373.36 17529344.45 18157777.7 29558084.67 8380562.718 23999581.07 37085091.93 24911596.45 35470545.29 35134456.52 18127105.47 ADP-ribose 1858073.267 6371836.507 4440958.183 21611635.02 2309543.636 13480179.98 1570587.218 5279373.892 3007623.224 12548758.36 2251412.66 11203726.76 4595503.888 0 0 1539736.108 2145724.554 11924200.17 3442336.583 20999018.7 3577300.765 19209737.69 4105549.316 1429822.305 ADP 1837789589 1870511424 1898185330 1921366681 2144924862 1064220849 2092046480 853768977.8 2026737937 1914852140 2139206223 1513154938 1642239756 271193170.9 1200980480 807032974.5 2443110095 1985427980 2490599454 1564629578 2154004988 1617821825 1867110031 807102967.6 AICAR 238653129.2 4686121.154 197937104.2 36208654.1 147194089.6 2469755.009 128272136.2 0 133809877.8 3341289.338 216185502 2787111.382 56979213.33 0 34317090.32 0 136276017.7 0 186203534.2 622010.0162 221732610.3 0 238213574.7 0 alanine 1642316915 1154347638 1448754119 1429082319 1548235733 1634718404 1973426425 1977817249 1776902508 1538857881 1671252146 1674957452 2604198773 969525656.4 2356116922 1729831191 2022051312 2111216554 1988802919 2086197037 1691159225 1745769661 1854794383 1254913660 allantoin 29107804.4 30065980.6 42882801 33824453.49 46968098.66 21252157.42 69166470.98 20213731.83 48797354.57 37615294.81 44253110.3 31309783.46 19865543.36 20960033.92 16626893.93 15725882.68 40960762.02 17074342.59 36020665.88 21220950.62 33879677.65 21626792.19 39653780.32 8602679.939 amidoadipate 380545625.5 240249621 114967802.5 244282262.9 141189147 532231701.4 108441264.3 544296424.6 122783985.8 266846617.8 155563734.9 327070205.3 425610502.8 974511214.6 525897817.1 714466665.9 176403653 431089681.3 179442739.5 365425403.4 128543002.3 380345706.9 202738505.2 815740152.2 AMP 789874858.2 823150094.1 753950556.3 1032634241 1019208079 563183002.2 1207862083 282759116.3 910050139.3 893463728.4 1037691432 692629034.1 885760136.3 81357410.73 584579710.3 229727301.1 1493085557 856939161.8 1304909497 735960322.4 1046706329 645594533.8 1090349812 273016383.9 arginine 2389183574 1957640704 2189222159 1806640142 2651848568 1618283099 2329137135 1316844168 2512045118 2019811913 2468727208 1677326241 1538392655 424984143.4 1344872681 888153560.5 2621343508 1635027148 2665868370 1736602712 2624142405 1701768604 2240514206 1016330259 ascorbate 5.11E+11 1.90E+11 2.54E+11 2.93E+11 1.81E+11 6.92E+11 1.90E+11 1.66E+12 1.82E+11 1.82E+11 2.22E+11 3.49E+11 5.99E+11 2.66E+12 1.17E+12 2.07E+12 1.95E+11 8.75E+11 2.33E+11 4.76E+11 1.71E+11 5.63E+11 2.49E+11 2.29E+12 asparagine 480707614.4 561942733.5 392930214.9 600505470.5 357221861.4 777378470 357841944 727710847.3 363963233.6 525238754.5 284128595.9 576736650.7 756362958.7 230646895.1 621156038.1 546708790 413214822.3 711159704.8 416422794.2 691330009.3 279353369.3 643493776.1 328680341.1 512287297.7 aspartate 1467598840 2618618604 1040582682 1996842762 1093428211 2123153446 1241629223 1396697225 1096194527 2723146798 1292296087 2548939518 1521554108 587031593.4 1270225410 1504122684 1001130623 1844665914 1044724985 2336981888 821119314.6 2634256861 1178533932 1315835542 ATP 2272932607 3738089396 2817715090 1427998705 2870879253 920644897.3 2647424592 2098011703 3173986662 2880357814 3100182906 1727358859 704450223.7 382181428.3 584498051.5 1451981957 2562433893 3317535310 2757212862 1556625961 2815444100 2537365365 900766810.7 858233858.8 carnitine 4048127890 7732732666 4846622208 3943840017 6269254523 3639311784 6566699148 1789814413 6330601429 3970066545 5510469910 2847199096 4284223618 2963423100 2649769573 6999503400 4976946209 3975644058 5900694537 5081637709 5425463752 4675821259 5201030884 3460596804 CDP 183994566.7 161437628.8 192813324.6 167282252.9 225528505.7 85544901.06 234866645.3 66564907.61 203982190.6 186574380.7 219695853.3 135329689.5 128755317.6 12316421.46 100944167.3 49043717.69 259763283.5 164461666.8 249163777 124172964.8 243730948 123845492.4 158014083.7 57632873.77 cis-aconitate 524271375.4 223360130.9 396297184.6 351299601.3 258711001.1 684617867.7 244914510.4 1523172469 259368198.5 236006213.4 294603550.1 415566331.2 557974123.4 2754123693 1072172600 1686801760 288952618.6 711628109 307376789 463578241.4 269874543 586666402.7 311988797.6 1667855025 citrate 3795575226 2010851627 3057364502 2899377933 2712400517 3323766442 2810947577 4599733578 2886551969 2434852134 3188793376 3473775412 3416577405 1429549137 4394912256 2216130391 2763153160 3484693032 3152627429 3283476360 2884049517 3318059675 2693188595 2419469082 citrulline 2731169051 1516810655 2082078941 1814861974 2564930442 2632939410 2350782193 3105647275 2420928932 1891799661 2515419042 2247716829 1964520369 487925556.1 3253446723 919130691.6 1723338621 1705482110 2153496069 1883158206 2059701727 1770592333 2122130369 1651207020 CMP 99379317.62 88657699.59 99695529.06 126989734 121962585.5 68475404.77 146928368 34190319.32 100813701.1 103587397.8 115856854 80852201.17 121120938.4 1057014.549 79942634.39 25801369.98 180582742.6 110631939.9 155265414 87143241.83 127472849.7 70033201 123070176.8 35962022 creatine 10715498283 5087714365 11031669929 6248625143 12201636983 6525863834 12961277820 4859287471 12406328260 5214986426 13258855444 7098946987 9618159103 2722129639 7157854335 5161950753 10428799238 7050395958 12117859279 7166098906 10909325960 6478051660 11428481265 4716915935 creatinine 175622176.4 85654822.42 145700543.4 80167361.14 137348683 96400368.71 176868257.4 90924868.42 147304761.8 93420224.98 163605226.5 100707179.9 110977309.4 351146017.4 161082378.7 251355745.7 113063643.7 96529688.29 116793770.9 84322219.63 111253218.5 101224144 114412415.3 230412834.8 CTP 235559024.7 291823680.6 272075353.6 126561245.9 278189153.9 68692308.96 240840744.3 187666885.3 274748171.6 260644462.1 270783358.3 168460675.6 57133785.14 11354517.12 52699223.08 65232940.76 221787702.2 231905470.1 248234873.8 111730306.4 253325704 197456417.8 78718540.97 65577806.9 Cysteine-Ellmans 442462321.7 629356721.1 500315584.5 811602881.2 594161712.7 473729467.9 585872149.9 375396422.9 510915909.5 671288555.3 450688874.4 583975171.4 360087258.7 43398596.08 291831553.3 131756666.5 485038693.2 419674640.2 527059376.4 515403968.7 532889051.3 436730620.3 476735457.2 247012039.6 dihydroxyacetone phosphate 52941410.87 22366357.54 64510174.66 29900726.83 73508165.13 16773549.43 54234260.47 11486061.37 73575529.81 27509975.42 62313276.03 32836298.8 36904212.96 0 31169199.73 8067234.183 67594063.37 16579093.74 61584344.14 18568856.9 71477935.23 12101691.91 68247024.73 922751.1281 dimethylglicine 20510408.39 18617683.04 26625178.61 23144019.88 33755812.5 19797066.31 35482307.78 16347496.17 27677646.09 28264436.41 33095996.61 25698891.58 17704410.83 19563668.71 19486459.08 12878063.98 28783203.55 14670847.84 26891505.42 17053510.93 28453081.51 16899207.51 34578480.15 25416281.77 dTMP 215630461 142575317.6 142421190.3 132247148.5 144894623.3 211075985.9 148674889.2 513053342.9 129758591.4 139666404.6 154770952.7 144753727 202383400.7 708203631.1 403921940.6 660428455.3 146215297 310619836.4 159761414.9 156828224.7 126376816.6 118010601.2 123201449.2 416548382.2 F6P-G1P 11086156.43 115061893.3 14261084.77 33144039.52 14260342.96 36321012.09 14910317.09 8847541.309 15104955.77 39229009.29 15020992.59 21856389.57 22945944.84 2411796.607 19297565.62 19697827.34 15941036.73 20011894.95 13829294.39 48101786.35 13628043.56 41033453.1 12595152.92 12943541.67 FAD 9145664.074 16714810.77 9713041.068 17964837.22 11440161.87 9998327.838 10924469.26 6189160.64 12501237.07 16924987.69 9735311.363 13491743.65 8838518.148 0 1751246.493 1513005.829 9627430.711 10551365.67 8871320.848 14322625.66 11925183.66 12376020.84 10731817.79 1230367.652 formyl methionine 3670425.402 9124255.829 6334400.871 8171513.409 10967061.72 3473978.444 10629781.39 0 9576830.725 12198699.48 9146565.588 11803947.78 4120373.399 0 0 0 11239514.36 718354.093 9714892.468 4823632.848 9789621.916 1375206.684 9315957.954 0 fumarate 343743898.9 372477202.7 335802528.3 425394357 382828099.6 363017691.1 392914642.5 448440839.1 327923413.9 409775766.3 371459980.9 434008086.4 383932615.2 198980792.1 351366756.2 248572034.3 340135991.9 339064347.5 359773195.7 422004272.9 324610628.2 362158362.7 357147411 218255439.1 GAR 31524193.21 85154.82853 26150298.38 476965.3321 22679844.08 0 18919414.67 0 16992497.88 0 21969232.5 0 1071194.184 0 0 0 15748306.66 0 24274391.5 0 29846090.37 0 43713597.65 0 GDP 211031170.3 158606531.3 218841887.9 170311962.4 244815699.4 111006512.1 246475397.8 87276928.54 212222273.3 171814967.5 234716003.1 145021800.3 160039077.3 22072037.16 128376993.3 60732300.94 270093952.9 174795128.1 259124720.5 131943667.8 222859295.3 132646270.2 194363689 71000252.18 Glucose-6-phosphate 11086156.43 119674637.7 14261084.77 33144039.52 14260342.96 36321012.09 14910317.09 8847541.309 15104955.77 39229009.29 15020992.59 21856389.57 22945944.84 2411796.607 19297565.62 19697827.34 15941036.73 20011894.95 13829294.39 48101786.35 13628043.56 41033453.1 12595152.92 12943541.67 glutamate 11349340596 10912979536 10915726180 12475636860 12021154823 9967296762 12571173398 7886943784 12399875827 13277422607 11547394622 13329949019 11769069269 1642017770 9142388366 3536828328 13088056290 8649109444 13169246105 11207376700 11978432210 9873036030 12936791255 4998708141 glutamine 9062926114 6244025293 6417023787 8150480509 4702295647 13671178558 5626050254 14683861937 5549620142 8682182832 7626885321 13019573994 10763867327 3467503207 10599558921 6491848208 4998135994 14069639309 6349677499 14661122175 4402852611 14556410947 6959545089 12409431555 Glycerol-3-Phosphate 206029122.1 262023013.1 213569066.2 382357739.1 213613890.1 326488045.5 180855045 213883424 186092518.6 278912648.4 185698649.4 302234112.6 223726778.4 61022369.44 151544256.1 112516275.8 238958895.8 331080186.9 208451014.3 279698537.9 205957407 290773587.7 330990166.6 205570882.6 glycine 167559691.5 143351399.8 172383876.7 154966850.8 195252278.7 179774831.5 197985814.4 152226231.7 147757116.1 144704107 161146967.2 147016183.2 142367129.9 90067981.73 179187612.8 158780931.7 134369427.5 149926714.5 155424288.5 143227756.6 124958186 138048712.4 130001817.8 117804007.5 GMP 150583211.9 154001475.2 260597246.7 154620115 248050451.4 75787025.49 388530921.4 37376479.44 278887799.8 135413955.7 204918701.7 88767145.71 152774246.3 13645205.41 107474950.3 30226421.89 402380884.1 124232695.4 311257282.7 90631952.88 308203235.6 70925471.99 178916363.6 35654721.91 GSH-Ellmans 3778694587 4994557636 4098772256 4749956081 4365837235 4359749515 4222470996 3040402721 4235973284 4942582431 4320446062 4942816187 4056260003 1223628448 3485280438 2935825312 3845876363 4220507716 4007566110 4831635763 3940255512 4606784315 4077632864 2613519601 guanidinoacetate 10982659.06 32849617.22 12616777.36 20335869.88 15173032.31 61393218.62 9918666.522 32542372.12 9632171.204 32949028 14821149.95 20377479.8 16058027.18 32673447.85 15939102.97 62684518.54 7418598.18 48376549.07 14661503.1 42328004.78 8270268.721 50433787.09 10292104.03 36399226.04 guanosine 38152632.42 60054618.85 31836848.65 110492541 17561768.29 94456179.95 20439542.8 65429741.27 28091202.53 46810799.54 28856501.08 83017659.89 43569598.95 11816524.23 23940390.44 45438872.41 33948393.91 115296687.9 38708862.32 98685280.95 28688027.74 111534147.6 37843173.26 60654198.65 histidine 2169459040 695759315.8 1678237437 981128564.9 1986925172 1366441733 1275434863 1778471378 1659126104 938051031.4 1249867530 1187153677 3228813882 897291491.4 3567004107 1257709572 2154314366 1118287955 2031441255 1538860932 1753675414 1319531077 2101568581 1463532652 homocitrulline 29156373.09 10724050.8 20913622.09 16528056.51 20892906.01 13538953.19 28713784.74 26609006.68 14609118.47 7306899.36 16256841.3 11861444.78 23154973.42 11793760.74 22070110.21 11316247.21 15197146.02 11148676.48 21227466.55 10451883.72 15067604.26 8919381.026 16771379.75 10997506.96 hypotaurine 23686494.31 8852666.403 79639932.35 7005627.167 22797013.65 55802473.54 8566575.114 46497478.33 19380354.77 5071672.59 10505326.72 16541970.23 8052614.463 36896827.08 19845819.19 32351729.22 15661393.32 25529039.63 14308781.07 9160110.032 14874763.68 17713253.75 17012953.13 29174404.02 hypoxanthine 47482531.24 111802610 57641804.9 101760038.6 60041271.66 101123056.7 73366136.28 77069513.14 64115085.98 146071027.4 78066503.36 153967642.4 109822141.8 13461981.83 81190461.49 20920228.94 60017728.08 94680535.5 48173086.14 121438879.7 51277249.41 125508517.9 65279306.37 104334373.9 IMP 11617286.99 8320520.628 7643101.551 9633716.592 5945230.076 18497879.36 9556343.293 10427661.88 6282879.911 6823664.584 13360225.07 13431319.2 30977110.51 0 34506244.42 9160046.966 5066510.105 7325161.879 8369268.591 10761223.59 5877875.577 9222877.236 14771496.41 0 isocitrate 464224291.6 470025770.5 507573940.1 387296282.3 488176928.3 252073272 581785691 490341081.7 738802652.5 475988494.6 711469000.9 507816671.7 319670261.2 86395406.24 265603631.6 166781016.7 558605085.8 665212428.9 561393494 353954649.6 624541646.3 341277392.8 406918795.3 182648975.9 isoleucine 530525203 774722421.2 797140557.3 612287555.7 753707249 484048093.7 338729301.2 314723350.2 637032333.9 741522639.6 621414168.5 972013093.4 1075073628 290701141.7 796853887.9 406455070.1 806178406.5 1060537035 682889520.7 1079161179 978135224.7 961005302.4 883985483.8 524972114.3 lactic acid 1933916601 814503786.6 1862514557 1170915570 1747666234 722349875 1272759741 1174625184 2165533746 873076394.7 1491738920 1215110496 1391261386 1959806994 1540702272 1656318902 1811866100 852969719.5 1806350868 870772503.4 2425073551 904828720 2187727220 1805059406 leucine 1007742841 1131664004 1038343184 1383947142 762283366.1 964414600 723327763.3 632102759.1 1226787976 1257745487 1071841750 1060333452 910378293.8 161292847.3 897074242.1 382295554.3 1039961592 693437289.7 819118870.9 855607610.8 1015836976 791549863.5 728822975.3 447522807.3 lysine 665244338.8 555822072.1 717932925.4 517754829.5 943785780.7 392071664.4 1026841791 310539162.1 1012492837 618321453.3 753224940.9 442764481.2 818203791.8 130999732 524195388.8 245656506 1350942489 453423110 1137374009 505392441.8 1131848907 413941769.5 1018219524 228974567.5 malate 4052978589 4125368100 3742020339 4731909156 4163675386 4153989769 4305048425 4722428264 3744776562 4409974120 4235442873 4782214953 4358083650 1403726634 3909831321 2997505073 3762333237 4192880857 4015160356 4635037367 3582481937 4104521710 3886813581 2528459198 Methionine-sulfoxide 84364967.31 54741256.25 54908353.66 56293858.89 61602564.22 50066000.09 54698409.88 53197192.14 127159383.4 104423929.7 65644290.67 58686014.86 239546740.8 60763746.14 135996112.7 52142408.75 122480869.7 100568241.8 104255714.2 78602340.16 106668703.2 87319118.74 217332677.7 106965684.6 methionine 730939928.4 730112523.7 788646561 708529346.9 877509538.8 596846310.5 1088422124 639003536.6 1447242498 1268330616 913246950.3 746465672.8 2626017341 429866712.4 1586764669 414438244.4 2058322370 1070520385 1505007746 956689230.5 1465079341 868977236.3 2628064254 858924429.6 myo-inositol 515894500.5 583342622.9 790330367.9 652731106.1 1018698896 448420982.1 1368787733 495601856.2 973433451.8 749333797.1 614402817.7 613920329.8 455676636.4 189581149.9 590961568.8 224057253.3 589273118.7 383884048.3 949817030.7 485206128.9 833711726.6 356946311.7 747749651.9 292091540.6 NADH 2584664.924 4291998.937 3484019.794 2773029.66 5500587.873 1690800 6170734.616 250785.8478 2858206.992 4738059.414 5211154.52 4723822.864 1004557.601 0 218337.4722 0 3832657.1 1328351.082 3572842.854 4198206.665 5212248.486 3138875.218 4083300.987 0 niacinamide 76271626.76 125914459.3 101692049.6 244233503.7 97045473.74 165218122.9 97491712.34 123622654.2 123301586.5 200683940.4 98906070.97 155047027.9 111062309.8 68113013.93 80195914.13 92550932.2 96551666.76 169928724 97477152.38 189341198.2 140838236.5 196555893.5 100131329.8 120781623.2 O-phosphoethanolamine 5694136564 4745060512 6027499149 5564879239 5908454324 5232640568 6396162710 4572483881 6082024068 5156740323 6137630048 6026176087 5778266786 783428902.7 4679140593 1850711342 5480698014 5060309765 5731685740 5628041574 5329644544 5338182188 5701739247 3058319375 ornithine 97089601.49 51724963.41 83562185.89 68461660.31 81440138.71 60247772.91 72136338.95 60490048.6 90590719.89 55374466.57 74810540.9 61615230.04 86513841.81 65650362.73 95402768.45 101188848.2 98686633.93 68475552.2 90358223.39 55419908.35 93755064.74 61099188.69 100898791 64081218.44 phenylalanine 82929349.85 100072501.6 122214169.4 116239135.1 149146709.3 35397928.09 128771607.6 0 156866791 117555121.1 123039639.1 132302097.3 88685156.21 0 15609517.85 0 140916193.4 54470173.05 133398134.1 84224772.97 146673887 48941390.26 126889643.7 0 phosphocholine 20688777663 16428828782 22589992911 18815755181 23511264586 17025760116 22405817115 16196443281 19919234808 16661603811 19654294761 16857087680 23519311967 4262085016 24421154049 6398054995 24391065122 20051552392 23299711870 17765144441 23123392995 15451388499 22992799174 13927611997 phosphoenolpyruvate 39373990.05 105705212.8 45122250.75 93378466.31 41910529.79 82062804.8 26314531.16 32081983.2 42837571.06 78419538.36 30488788.87 77310848.75 27620513.35 14832885.14 30180862.22 46651788 37234883.3 52766440.29 37317067.72 63870592.15 49332261.61 77433393.96 34444133.59 25364078.3 phosphoserine 1241579.212 438263.7637 2959962.483 879181.9419 4291997.105 1693588.077 1809108.228 0 5032043.482 4259304.682 2605442.821 4267751.775 217152.4606 0 395353.2074 0 4464526.161 2761237.621 2530497.907 4281351.017 5426040.215 5824576.031 2124799.44 0 proline 8395113967 6113624841 8479242195 7325191355 8775928615 4683956680 7989946215 4457237830 8874380638 5686176613 8399196729 5606711322 10696346597 2151565067 10170419351 5087847269 11905258537 6381595253 11569743532 5758453312 10781574687 5731145620 9018378740 4594927824 PRPP 25944902.18 12375917.7 31131230.74 10686022.23 45281200.05 4161410.597 25277038.44 248752.6402 35470696.88 13551135.13 34206935.97 12258912.18 5078612.108 0 351975.3126 596291.3492 27749256.77 7371912.896 30376072.24 7492182.983 39101820.92 8997607.801 19078519.56 0 Ribose-1-phosphate 14322711.57 46489841.5 20055869.51 47869615.39 18149860.04 37228622.49 18265654.97 9276383.105 17921201.28 38842879.43 20209747.46 33140672.38 35838359.96 1101953.408 27451368.7 8842519.004 21050298.68 25133401.81 19223432.22 36642941.13 18288144.59 39363281.24 19364049.8 6438739.346 sarcosine 1654959633 1162261928 1463228664 1451635362 1569523171 1689955477 1998622928 2008331877 1792700157 1563795817 1661257948 1700252582 2650107047 1019107229 2434700614 1712974151 2049473710 2168921028 2004037853 2093695861 1696542366 1741074072 1887586161 1310268659 Sedoheptulose-7-phosphate 8425972.49 25956682.93 13705302.66 19899682.34 16755685.63 6324363.033 11601057.93 0 12736523.83 20214116.51 13502563.1 12427080.77 9187140.027 0 0 0 16533872.65 5830201.067 14426433.7 13088920.21 16390494.64 10555365.93 12084904.11 0 serine 120135016.6 107508058.7 114470707.5 108428993.8 123618422.7 221485338.3 108089283.4 190010490.1 98334773.82 139659588.3 116744694.5 172402349.4 159560161.1 135193160.6 229430360.4 176652821.5 84174403.84 237857769.3 94343818.51 231046591.7 82175077.7 259726271.2 98394293.91 204271126 sorbitol 114925465.2 57294559.61 76867553.75 63663809.32 45430038.72 86363030.61 57147766 130038826.9 64627576.04 58350260.46 84900380.83 67155765.7 78656921.01 389224816.1 140321850.7 262115940.4 49299645.87 98195404.83 52255305.88 64141901.56 52729360.78 80973947.23 77680714.23 246336073.6 succinate 337228291.2 282482647.8 345049730.2 288000777.4 346860651.3 372667502.5 485539401.7 511264238 368371340.7 307823423.6 398294965.6 342314559.3 380311017.3 893817266.1 470302911.7 825072123.7 405154179.7 323486689 312480951.9 288453975.8 351298280 273398102.2 403364713.7 733938620.1 taurine 7154365767 6068231104 6667447612 6277896396 7101924526 7296036057 7266853018 4337496215 6674032720 5892616313 7414674855 5533069814 5605885313 3922571702 3638864846 7955107087 5857689964 7390144693 6620736194 7484393276 5882181944 7665748089 6110802057 4308507574 threonine 1768892192 961370920.7 1667567205 1192385404 1797389266 1476019538 2010515289 1686125321 2015469323 1183402778 1602023037 1101819355 1768362877 471696997.6 1909046334 647428113.8 2258758469 2014914275 1974049131 1543731521 1745691163 1430241504 1522691140 889621453.5 trans-urocanate 31473248.13 15499331.39 18825343.7 15295838.89 14088858.41 26309572.08 9118642.084 61263634.01 10541136.99 7053177.12 9165498.524 12950100.22 27498156.77 161367529.2 52533232.82 87442360.31 7933114.091 18032521.28 9923699.871 16239536.45 9592879.898 16469754.96 15255335.17 114305243.1 tyrosine 1379882034 1392998707 1142850145 1502136042 1381438478 1266092612 1613620603 1294437082 1531273900 1623587333 1604991827 1531959075 1615115267 436954450.9 1696499093 554332456.3 1431646964 1155412889 1394042706 1353225506 1243689684 1148091268 1479201801 858914402.4 UDP 508761279.5 477592544.9 492971543.6 496831606.2 586304238.1 271992587 698546968.1 215722805 569689242.4 481460984.4 660985121 387045810.8 411421086.6 59706446.18 310871892.4 152426410 680796177.2 466788533.8 675617076.9 387322074.6 628559026.5 344471918.4 496563747.7 190993177 UMP 362328468 393904324.7 328969381.4 488517337.7 431473657.3 231053163.8 569475197.9 116278637.5 361779383.7 435045416.1 481700810.2 278251541.8 395773857.6 18217725.67 253105154.8 94899534.42 613277271.2 363200350 586653113.5 303884344.8 436355896.1 254415063.2 439473914.6 126719205.1 Ureidosuccinic acid 68633813.95 143492565.1 47113556 108510398.6 55973539.65 75931969 79112659.62 5984236.884 66961479.2 139203597.4 81888598.81 146140432.6 58503943.07 0 11955903.48 0 41993593.94 20857500.03 48484959.36 74299548.89 35887647.64 55687238.32 68041218.4 0 uric-acid 348812713 220139214.8 396125703.2 314494894.6 426819520 330713969.8 452147699.5 159351186.5 441510683.2 389486296.2 590968002.5 450963131.6 268111805.6 260684466.1 284189944.5 264362011 357643477.6 331661238.1 387422234.4 306955236.2 372148657.5 307308600.5 372852640.8 284068464 UTP 721754113.5 1060614197 870602974.7 447260489.9 864688707.6 228808743.4 828909925.2 620404902.4 900240796.6 910808317.3 968487259.8 544132451.3 197292658.8 49306871.16 154238956.3 229249431.5 710730216.9 805788990.7 797664960.5 382785596.3 803752200.2 665712564.5 266423176.6 194637765.1 xanthine 19796108.36 13079178.45 13808428.85 11179190.73 11341496.95 6573295.892 12013337.54 5218248.009 18491170.89 12920776.01 12439330.71 10513729.63 10271130.61 4532926.321 5042195.187 8988218.036 11722714.3 8007657.354 12183797.91 6986530.788 19210343.14 9557677.536 15894408.72 10157040.98 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 2-aminobutyric acid 2-hydroxyglutarate 3-methyl-2-oxopentanoic acid 3-phosphoglycerate adenine ADP-ribose ADP AICAR alanine allantoin amidoadipate AMP arginine ascorbate asparagine aspartate ATP carnitine CDP cis-aconitate citrate citrulline CMP creatine creatinine CTP Cysteine-Ellmans dihydroxyacetone phosphate dimethylglicine dTMP F6P-G1P FAD formyl methionine fumarate GAR GDP Glucose-6-phosphate glutamate glutamine Glycerol-3-Phosphate glycine GMP GSH-Ellmans guanidinoacetate guanosine histidine homocitrulline hypotaurine hypoxanthine IMP isocitrate isoleucine lactic acid leucine lysine malate Methionine-sulfoxide methionine myo-inositol NADH niacinamide O-phosphoethanolamine ornithine phenylalanine phosphocholine phosphoenolpyruvate phosphoserine proline PRPP Ribose-1-phosphate sarcosine Sedoheptulose-7-phosphate serine sorbitol succinate taurine threonine trans-urocanate tyrosine UDP UMP Ureidosuccinic acid uric-acid UTP xanthine METABOLITES_END #END