#METABOLOMICS WORKBENCH alanyl_20251203_105005 DATATRACK_ID:6819 STUDY_ID:ST004416 ANALYSIS_ID:AN007388 PROJECT_ID:PR002390 VERSION 1 CREATED_ON December 4, 2025, 7:09 am #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 BCS-treated SEM cells with or without inosine and ST:STUDY_TITLE uridine supplementation ST:STUDY_SUMMARY To investigate whether the effects of bathocuproinedisulfonic acid (BCS) ST:STUDY_SUMMARY treatment (a copper chelator) on steady state metabolite levels can be rescued ST:STUDY_SUMMARY by supplementation with inosine and uridine, SEM cells were treated for 14 days ST:STUDY_SUMMARY with vehicle or 50uM BCS, and vehicle or 100uM inosine/100uM uridine. Cells were ST:STUDY_SUMMARY seeded at 0.125-0.25 million/mL and counted and passaged every two/three days. ST:STUDY_SUMMARY This experiment revealed that inosine and uridine supplementation significantly ST:STUDY_SUMMARY rescues levels of nucleotides. 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 ST:NUM_GROUPS 4 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:CELL_STRAIN_DETAILS SEM leukemia cells #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 - 20251104_QE2_HILIC_Iualan_AYW1710 Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1710.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1711 Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1711.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1712 Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1712.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1713 Sample source:SEM leukemia cells | treatment:BCS | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1713.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1714 Sample source:SEM leukemia cells | treatment:BCS | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1714.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1715 Sample source:SEM leukemia cells | treatment:BCS | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1715.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1716 Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1716.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1717 Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1717.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1718 Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1718.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1719 Sample source:SEM leukemia cells | treatment:BCS | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1719.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1720 Sample source:SEM leukemia cells | treatment:BCS | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1720.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1721 Sample source:SEM leukemia cells | treatment:BCS | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1721.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1725 Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1725.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1726 Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1726.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1727 Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1727.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1728 Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1728.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1729 Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1729.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1730 Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:Vehicle RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1730.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1731 Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1731.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1732 Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1732.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1733 Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1733.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1734 Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1734.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1735 Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1735.raw SUBJECT_SAMPLE_FACTORS - 20251104_QE2_HILIC_Iualan_AYW1736 Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:InosineUridine RAW_FILE_NAME(raw file name)=20251104_QE2_HILIC_Iualan_AYW1736.raw #COLLECTION CO:COLLECTION_SUMMARY 1-1.5 million cells from culture were collected via centrifugation for 20 CO:COLLECTION_SUMMARY seconds at 18,000xG at 4C, washed once with ice-cold 0.9% NaCl, and collected CO:COLLECTION_SUMMARY via centrifugation for 20 seconds at 18,000xG at 4C. Cells were cultured in CO:COLLECTION_SUMMARY RPMI-1640 with 10% FBS and penicillin/streptomycin in a 37C incubator with 5% CO:COLLECTION_SUMMARY CO2. CO:SAMPLE_TYPE Leukemia cells #TREATMENT TR:TREATMENT_SUMMARY Cells were treated for 6-8 days with vehicle or 50uM BCS, and vehicle or 100uM TR:TREATMENT_SUMMARY inosine and 100uM uridine. Culture media was RPMI-1640 containing 10% FBS and TR:TREATMENT_SUMMARY penicillin and streptomycin in 6-well plates. Cells were seeded at 0.125-0.25 TR:TREATMENT_SUMMARY million/mL and counted and passaged every 2-3 days. #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. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized peak area MS_METABOLITE_DATA_START Samples 20251104_QE2_HILIC_Iualan_AYW1710 20251104_QE2_HILIC_Iualan_AYW1711 20251104_QE2_HILIC_Iualan_AYW1712 20251104_QE2_HILIC_Iualan_AYW1713 20251104_QE2_HILIC_Iualan_AYW1714 20251104_QE2_HILIC_Iualan_AYW1715 20251104_QE2_HILIC_Iualan_AYW1716 20251104_QE2_HILIC_Iualan_AYW1717 20251104_QE2_HILIC_Iualan_AYW1718 20251104_QE2_HILIC_Iualan_AYW1719 20251104_QE2_HILIC_Iualan_AYW1720 20251104_QE2_HILIC_Iualan_AYW1721 20251104_QE2_HILIC_Iualan_AYW1725 20251104_QE2_HILIC_Iualan_AYW1726 20251104_QE2_HILIC_Iualan_AYW1727 20251104_QE2_HILIC_Iualan_AYW1728 20251104_QE2_HILIC_Iualan_AYW1729 20251104_QE2_HILIC_Iualan_AYW1730 20251104_QE2_HILIC_Iualan_AYW1731 20251104_QE2_HILIC_Iualan_AYW1732 20251104_QE2_HILIC_Iualan_AYW1733 20251104_QE2_HILIC_Iualan_AYW1734 20251104_QE2_HILIC_Iualan_AYW1735 20251104_QE2_HILIC_Iualan_AYW1736 Factors Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:Vehicle Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:Vehicle Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:Vehicle Sample source:SEM leukemia cells | treatment:BCS | treatment2:Vehicle Sample source:SEM leukemia cells | treatment:BCS | treatment2:Vehicle Sample source:SEM leukemia cells | treatment:BCS | treatment2:Vehicle Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:InosineUridine Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:InosineUridine Sample source:SEM leukemia cells | treatment:Vehicle | treatment2:InosineUridine Sample source:SEM leukemia cells | treatment:BCS | treatment2:InosineUridine Sample source:SEM leukemia cells | treatment:BCS | treatment2:InosineUridine Sample source:SEM leukemia cells | treatment:BCS | treatment2:InosineUridine Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:Vehicle Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:Vehicle Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:Vehicle Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:Vehicle Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:Vehicle Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:Vehicle Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:InosineUridine Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:InosineUridine Sample source:NALM6 leukemia cells | treatment:Vehicle | treatment2:InosineUridine Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:InosineUridine Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:InosineUridine Sample source:NALM6 leukemia cells | treatment:BCS | treatment2:InosineUridine 2-aminobutyric_acid 104991132.7 62427810.22 75176431.46 44575679.01 51757270.33 99386648.57 43275084.73 114146114.8 48855789.64 53522394.2 43447811.08 52220795.09 72608804.96 62816981.81 64176095.7 59944297.31 62014500.08 55509914.91 65055875.99 398677043.5 61192143.58 51150803.66 57207954.72 53559430.2 2-hydroxyglutarate 2843869178 2817762773 3010438540 2580106678 2539132773 2328295287 2561219272 3218507223 2876533379 2597531327 2634947526 2826031377 4280062323 4120260904 3600637085 2951029526 3019528692 2841940298 3352216099 3541236711 3747496030 2825175223 2608877487 2803907823 3-phosphoglycerate 4130298.582 4771386.347 4245759.382 6522008.538 5905669.057 6763213.048 3748225.017 3139294.348 3560243.194 4292409.689 5025942.866 3764096.736 37674715.93 38510985.3 43852936.03 14471237.54 13950589.46 14169413.19 27568126.18 26677800.58 29785281.21 24631694.4 26215796.93 22726944.05 3-ureidopropio0te 1077158153 768341612.5 1079511253 697074126.4 666652866.8 708125333.9 936362103.6 1130963100 958951793 721262181.1 747506320.6 790020543 1757248172 1648176595 1554025841 1058661887 1188505903 1115701773 1414665417 1361775083 1514482569 1075302148 991897360.3 1142358587 Acetyl CoA 5057497.76 5501452.475 6012152.138 3883835.628 3762877.887 3534781.996 5914109.47 4790699.156 4571140.276 3363250.989 4103074.138 3884279.447 13325544.23 15225956.83 15997070.55 10373282.16 8008684.87 9495160.958 12606732.9 12860145.32 16108804.96 11380336.28 11124118.32 11222379.65 acetylcarnitine 91625730.82 106938909.9 109094109.6 99291101.65 93175950.02 92077778.6 103746220.6 110537279.1 106286856.2 89182109.89 103288618.7 91045719.47 35545423.68 40851627.61 43364194.84 62311390.9 63798209.37 69443903.5 58423980.66 30097079.42 36949761.02 37333953.25 38968647.84 40418129.83 adenine 132657092.4 100244873.4 98273526.12 76491195.95 92635093.26 119284889.1 139062454 134747731 167997603.9 129049822.2 141498873.7 116650873.6 197883244.3 214550613 238909360.5 173607339.3 252996721 272338399.4 382606429.8 394466294.5 312888585 129400132.5 136857145.9 124385732.6 ADP 84675491.84 83863846.31 97574257.8 94019793.27 109106934.6 112321051.3 103723995.6 91324119.43 72468447.47 115106244.2 127951405.5 133262214.2 79167942.44 83053687.37 81771306.2 108971425.9 91212628.31 93790885.58 85274800.91 81116890.11 87106259.62 116137048.9 101144470.7 91536654.29 alanine 251486738.2 239446866.2 252001320 254942953.9 220189151 250609821.1 225612906.5 186970499.3 213251358.5 239861893.2 213186986.3 231575336.6 1184609654 1192379540 1270495703 416575636.6 342620206.8 428077460.3 979238363.5 1048497047 1197679582 396620087.2 428786060.7 415373249.2 Alpha Ketoglutarate 117044223.6 175701664.4 131743743.1 143836486.1 129930366.8 117480281.8 176080280.6 118474609.6 114244254.3 118959082.3 136530601.1 97644209.08 284539114.8 268374611.1 247304830.5 159279159.1 113777455.7 100870775.5 223796209.5 212102111.9 220287040.2 134550891.3 126687957.8 122518630.1 AMP 8021547.02 7286628.684 9629923.717 17003352.68 16406721.4 19942720.44 8667081.887 10189155.77 8246471.147 19117491.52 18160532.97 17301989.67 22600236.56 20406644.98 21928929.39 33446124.13 24165979.69 31053653.94 24845524.32 22280485.17 19572569.77 25272328.3 24570506.69 23310294.06 arginine 3588200149 4106616297 3261177004 2667388549 3009785459 2695883430 3171399427 3251137024 2828213405 2654780860 2785349662 2993307861 3676727393 3571631755 3617449678 5803218922 5518708982 6249453106 3091305339 3213422220 3607390420 5161199731 5369931631 5740945600 argininosucci0te 21080067.94 17285593.68 23057714 27604280.84 23082132.86 28419377.38 18980436.17 24293960.51 19653057.58 35732833.87 33791959.19 30380383.27 42181651.9 39924754.03 41971212.12 62725795.89 61047078.72 56535717.85 29259853.16 31799730.24 35258502.96 66417571.03 60709404.93 64041117.65 ascorbate 1.82833E+11 1.38932E+11 1.66103E+11 1.42681E+11 1.45643E+11 1.43684E+11 1.68548E+11 2.10606E+11 1.79735E+11 1.58819E+11 1.68026E+11 1.91925E+11 2.36E+11 2.29E+11 1.91E+11 1.59E+11 1.62E+11 1.80E+11 1.90E+11 1.84E+11 1.96E+11 1.26E+11 1.42E+11 1.49E+11 asparagine 1077332719 767120857 1089645884 706872464.8 670971396.5 691368602.9 942202410.5 1141853479 963677890.2 721243582.3 751215447 773936880.3 1773224597 1654785766 1553196591 1067003414 1207902097 1125645127 1418143110 1313535960 1520654685 1079418309 997328913.4 1147783711 aspartate 153110969.4 138086178.2 152341219.8 54812093.03 60712298.41 52533277.35 127465340.5 136938635.8 131096415.1 56855579.8 46577578.05 60472343.06 183896260.6 167766634.3 142475506.5 40350786.97 57760063.06 63511726.97 118825474 125568144.2 138636227.7 27832278.66 25165053.7 22945593.74 asymmetric dimethylarginine 18068699.92 25143183.11 18209574.13 14851964.71 16062070.13 15129683.65 16091421.65 16636895.61 14396479.95 13792075 13127659.03 13803268.71 22061775.23 23020996.05 22732663.88 44303274.26 36255041.75 41979271.16 23963231.91 19928523.61 22364480.19 35109731.9 35216760.12 36620316.41 ATP 365256023.6 404555488.5 409063928.2 365721195.4 326218780.6 323257418.1 445469879.2 372221475.2 342161216.8 287966895.1 374683897.6 375399902.4 527103969.8 571226681.6 604891487.7 445298266.4 294788854.6 355779900.1 593186223.2 586954263 734092073.8 344870905.1 307877217.9 335408320.8 betaine 106374359.2 148060922.5 159197951.3 142137196.6 111031388.3 71984051.3 152762525.1 142153953.1 100106358.5 83774568.89 140769563 109007436.5 91161788.18 89864745.4 94119777.32 36710648.66 41706062.75 40537237.47 99132102.02 77880547.88 93119190.82 42551520.7 47074020.95 37054122.24 Butyrylcarnitine 179109428.4 150668594 146700806.7 121304779.8 130337884.1 118896151.5 162522198.7 164112763.2 141154548.7 129918392.1 119750329.8 128420705.7 37702268.33 34928694.78 47438888.96 7647333.274 23039469.36 17052027.69 38019087.9 29746217.3 28512877.49 3555465.266 6166369.458 4144474.023 C5 Carnitines 26820123.53 32122384.96 25891354.31 30895156.71 35236508.05 33562164.34 28039392.55 32410123.23 26134576.09 26931107.83 27568674.46 28031949.39 229161406.3 237935231 240432552 267094269.7 250073913.9 282755497.3 282441659.4 224510601.4 217706487.6 255625054.9 274521425.7 291689856.2 carnitine 390413072.6 358679123.2 417359802.5 404166679.5 403363208.1 412210129.6 383599524.2 382828402 384433910.6 408871266.6 383872520.1 396004783.5 3473808.369 2931821.314 3229417.857 722695.8669 458721.0805 527088.4235 3990965.38 4863140.358 3697141.013 6353195.675 5930910.482 4878548.924 CDP 3173769.267 3409864.646 4407726.464 3249801.329 2672589.972 3065901.523 6539485.081 6728628.854 5573043.137 7928649.83 8439211.094 9373271.419 259547655.6 243278866 212917337.8 145797986.8 164440455.3 152465839.3 180233377 203104073.9 215611800.3 116863338.2 119566046.8 114911762.3 cis-aconitate 152235169.3 121330026.2 162077966.1 109964743.3 122417314.3 123061640.3 136600508.7 166418282.5 135088954.8 111706571 122545389.1 123799829.6 1633549781 1534549175 1298900084 449604499.7 494164603.7 398926173.4 1143651807 1175848906 1241440451 391125962.3 364156436.1 284687335.4 citrate 504175896.3 412371614.9 604900995.8 269776506.9 241065547.3 311701568.8 447409878.5 589918705.2 456324675.4 265932146.9 277793239.6 256175188 79503027.76 84690281.78 73701601.64 63389397.16 67880403.24 72757428.21 98533774.19 68592083.05 67520227.83 62724586.86 62183354.96 66553349.52 citrulline 59462312.63 56472267.96 59817828.78 43919624.27 45052627.14 46756382.7 56189874.03 66401847.61 51479792.12 61000582.07 37697806.22 45128827.7 251611.1385 701282.5888 413092.8572 393445.0132 289641.8227 167949.8752 1081257.009 1043438.206 549015.0547 1663996.971 1617132.851 1687119.692 creatine 1142294017 1371699833 1053098838 1058261124 1011095989 999578679.2 1003970199 887950354.9 1430276689 1007941757 976751638.5 905821968.1 14484840834 14421982733 14537158635 15712365405 13917227787 14421463099 13772090225 12444013861 14405259823 16534238986 17645390390 16771489831 creatinine 73051954.25 97213435.42 60663943.52 57372632.17 62232077.88 54816046.23 71376080.17 61239693.52 55860441.13 53968526.63 54615845.79 59171869.4 92442561.63 94026105.41 106053106.4 98836902.66 85573883.6 111928666 88250185.65 85026305.89 96903365.09 100235619.8 103062796.7 112518942.3 CTP 31589139.25 35608193.58 37803432.94 18292971.99 17799310.22 17603340.08 71173065.28 54319448.39 52376075.6 40582460.76 48877403.66 48359970.39 61909093.85 65320450.85 67869505.2 7540831.043 6957605.137 5502324.194 71222529.37 80530792.74 96818526.52 57083000.18 55828737.15 56260182.44 Cysteine-Ellmans 26375590.17 60102082.92 18073778.74 25058242.47 40062897.78 23651093.92 21706934.94 16754388.7 17144102.07 28049330.44 26815140.08 29172193.7 20786648.48 19019206.68 26436879.08 76933773.97 65226364.31 110766520 21778752.46 22275535.64 23896059.02 66296201.51 74758467.57 94915898.04 cystathionine 12582235.27 8797521.187 15052922.31 5056949.3 5179447.972 4987531.333 8630503.853 9202528.033 6969566.28 5926811.52 4212621.418 5625424.349 6371987.741 4790858.864 5593557.702 1090783.206 1309299.316 1111191.273 4760028.394 5454026.148 4273421.635 3322908.073 3205362.055 3616175.046 dihydroorotate 808605.754 1393569.918 630963.2422 27474546.9 29664700.63 27081453.78 110108.6613 237454.9912 0 99076.79309 0 0 170147.4401 0 0 20147768.5 12433006.7 14682060.38 0 59607.3484 63102.09007 0 0 0 dihydroxyacetone phosphate 10060523.39 10713959.6 12979995.69 35235037.67 29019349.78 35183277.5 10210312.76 9248895.775 9149193.324 27601352.45 32393270.51 26762384.44 36764486.23 35575847.1 39683615.02 26426354.47 19888289.88 24264682.22 38199234.14 43328203.02 47728657.23 34652135.99 32816870.19 30170672.23 formyl methionine 0 0 0 0 0 0 0 0 0 0 0 0 6667186.002 6615996.602 6165679.181 4428547.429 2899379.34 3380424.204 4178112.107 5117490.075 4573152.261 5133585.32 4710372.927 4092100.645 Fructose-1-6-bisphosphate 3663353.082 3837305.773 4000691.646 3832978.114 3847351.103 3957179.995 3730824.8 3004927.47 2897946.029 3259853.362 3699412.394 3882349.191 16194119.79 17307170.62 17738521.86 55080350.42 45925801.13 52888070.93 14093844.62 12440866.72 17482897.94 48206749.68 51960633.61 54831984.32 GDP 6544970.26 5922387.752 7605189.253 11147236.33 9724562.262 10376068.64 6437731.639 6423527.299 5844294.596 9084063.721 10427628.46 10793395 7765569.047 8610170.779 8669230.815 17899340.63 11636102.1 13805732.06 7956493.988 7603685.846 9146284.666 18356972.08 16924536.39 15623067.85 Glucose-6-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 15185574.71 15668630.86 16394681.29 17850959.44 16224849.02 14598964.33 15722809.8 11843184.95 15077689.2 18695271.6 18206726.33 20090784.65 glutamate 0 0 0 0 0 0 0 0 0 0 0 0 695627532.1 573404375.6 627793889.3 966800181.5 991129331.2 825982727.6 455294891 569155924.6 488092568.6 868689754 968352063.9 971847142.6 glutamine 8144284612 7505451037 9243055351 5279667350 5621432972 5265857133 8785942057 9399698231 8257473388 6365768812 5603980878 7090920756 4185078277 4330908849 4891490195 8637845531 9778236183 9917275115 4083346271 4718288516 4670422920 8664457295 8816172853 9383253237 Glycerol-3-Phosphate 32628263.7 30593272.85 36296296.24 152534345.2 155092095.3 160644447.3 26945339.7 24359437.51 21355428.87 153296775.6 150920195.8 162396155.4 55383067.06 51048804.15 52303891.61 618221722.6 552627219.9 626008420.1 53541267.81 56417087.41 63026497.55 790955017.4 769071414 762646745.4 glycine 38537328.2 31520556.3 36151819.37 29383258.81 28448537.9 46102652.33 41195106.12 41218854.1 40625992.41 30715055.32 29194350.33 28221592.78 101419706.3 91878135.85 90421356.89 115448916.6 86057564.42 99486336.45 98013306.33 338244683.6 106674518.1 85764544.64 90015092.34 85973988.9 GMP 1574965.855 1758093.957 823478.7196 2831484.912 2116909.133 3114160.25 683854.7291 636471.2176 1404328.902 2884213.27 2648806.692 2517088.166 2459248.224 2676287.945 2318884.658 9615918.942 5674985.002 7305623.303 2712812.494 2713899.541 3250485.012 6197608.692 5424235.597 6688425.35 GSH-Ellmans 770345601.8 601332794.1 846540409.2 665588849.9 674671765.8 722186241.2 857272256.1 792979265 704715440.1 685207871.9 670418247.4 728114679.9 760869815.4 715153651.9 763153226.1 1182019029 1030884771 1053020410 680537870.8 667428453.4 679328295.3 1024340297 1012406752 991835303 GSSG 3583929.624 3730162.752 1585701.571 2011530.835 1200261.082 1149963.539 1349823.43 1303200.544 7265506.212 1999522.333 895427.7594 1015444.024 1013995.311 2313007.061 830328.8343 1922588.228 20265658.14 8295405.251 11119525.67 817994.1582 3285957.517 2181830.83 1444361.554 1249529.859 GTP 27753767.32 31339061.38 33866101.13 38168485.32 35050835.69 36009585.98 33939187.26 24285624.26 24238817.89 24316834.74 36007388.91 34912986.14 62581347 72144675.59 71492667.83 78851448.08 52889353.49 66815499.92 60337895.75 55395687.45 80958579.76 120788574.3 103686082.2 108676704.2 guanidinoacetate 0 0 0 0 0 0 0 0 0 0 0 0 61108842.92 49563222.03 51307825.38 71381974.3 73992339.86 74632057.07 67325278.75 82626661.81 75532137.56 156585163.4 160177590 158110855 hypotaurine 74336384.1 73660734.04 92227630.2 118308245.4 107769294.2 114700467.5 91977740.38 105289126.3 83374569.67 103326036.7 109993850.4 109661619.4 535957373.4 501726750.2 445445686.1 271361010 246920202.5 227582187 304561380.7 287729495.6 349451534.5 212001895.8 194438071.5 201361493.4 hypoxanthine 11482505.72 12338511.41 12842929.06 11275384.32 11272596.78 10950152.52 24899171.36 29512797.56 24807480.09 36381099.73 34700901.23 27096927.93 17563596.63 17142730.67 15173465.89 11145010.41 12328634.42 11421571.63 27045473.97 32466669.06 25055690.15 30824508.66 29538996.23 39366807.88 IMP 1027676.427 1265783.131 920388.6757 6481646.297 6683146.556 6724878.823 4660255.48 4503134.015 4548837.918 10855034.8 15077782.65 10751106.98 35412124.65 39419705.72 36739523.76 173833287.8 176439727 182224824.6 32049737.61 22623147.57 33596877.25 640457130.9 621072342.3 632149435.2 isoleucine 0 0 0 0 0 0 0 0 0 0 0 0 1334222225 1280016973 1225892396 1829786021 1938927675 2114796609 1193479229 1150864224 1044013967 1674640248 1972579341 1366569420 leucine 0 0 0 0 0 0 0 0 0 0 0 0 637590008.8 629110154.9 397129611.8 569837215.9 615344294 679935041.6 306737996.3 405203162.7 364573481.6 671204568.2 1041063658 790995951.3 lysine 42867610.84 56552034.6 38175924.44 33691835.88 44000770 34805057.2 37233566.51 34913947.42 31732164.56 36230429.28 32168914.2 37438211.46 22862546.79 22548130.54 25015485.2 104010492.4 101115076.7 129839371.4 23199671.25 24935641.75 20900598 94196271.54 92301864.27 102487629.2 malate 562248953.2 478150379.4 578699422.6 337441262 582131423.4 541281520.5 234396763.7 93654695.6 471486257.7 714690348.1 596653854.8 391235966.1 538421277.8 798381891.5 145744636.8 592109986.6 306029466.3 700950364.4 1056186812 1098240760 1162809383 833320431.3 781757469.3 686616869.9 Methionine sulfoxide 85621789.47 106663817.8 86968174.25 61999084.13 79084362.06 62095660.86 70897168.75 88203804.31 86656276.99 72194633.15 60577601.73 59091681.48 76860020.43 80962810.58 76523167.13 88061324.03 99151838.14 98736319.25 94217070.07 64139531.25 81578979.3 78838256.38 97653464.1 92671849.98 methionine 485294825.9 516923724.9 496851360.8 382660073.8 413328627.3 343591646.3 439797967.3 461877658 395682007.5 351108253 335373229.7 354848255.6 467236127.8 439163261.5 443177728.2 723092310.2 665029837.4 687935969.8 347862341.1 363773273.3 399370275.5 684362823.3 720266897.5 758160613.2 methylthioadenosine 6506030.412 4642294.026 5293653.441 2632864.118 3109724.32 3086752.4 5224625.259 5335485.829 6108219.62 5659856.853 3482982.62 4064239.15 147572630.8 141519693.8 160725688.3 42264439.64 40735256.67 41687703.62 146045926.2 145818247.4 188170259.2 67010792.89 69082687.66 60559085.07 myo-inositol 389098076.5 365237272.2 431412339.6 346846047.8 341589445.7 359715123.3 434330362 377826320 357728551.5 320673343.8 286143524.9 336669687.6 383253148.4 355000251.3 398914355.9 397031992 322414922.3 355317438.6 318844971.2 296578389.1 313599941.3 391214786.6 353383609.8 338978597 N-acetylglutamine 19362193.77 16957076.21 16290425.57 12656264.5 8354678.585 23444514.21 34618439.76 26678200.43 32687995.84 22463104.49 25065889.6 32176499.61 10964007.26 28865647.78 36051001.6 28687461.18 24682599.41 39092453.54 44168255.15 32693480.42 34852278.05 24683782.27 30032630.24 27692950.47 N-acetylmethionine 6351689.857 4196240.492 4913369.909 5498025.174 4235045.019 5478203.66 4492882.849 4807631.727 3523966.898 6412851.929 5847539.815 5579004.881 26329934.07 24534474.38 30401094.67 5827707.768 5410532.082 4868188.679 22916881.81 22766982.45 28533213.49 15099272.91 11957484.99 12354067.93 0D+ 154658720.9 149037294.4 182823787.4 128826717.2 128223843.9 139185667.7 172216727.8 165888875.1 164351308.2 124787871.1 131187535.4 130471960.6 332448461.4 344546516.8 346955729 201819997.4 216855615.4 210921215.7 288165736.3 282949981.8 307379436.8 221623782.5 206116703.8 201154129.3 0DH 25561954.7 27832624.17 24566877.21 57121319.17 51155375.33 53670170.6 25083443.56 25584585.42 21658580.99 49529916.66 58682379.74 54083929.81 53616636.83 53246816.08 48815622.54 107277018 79770656.87 92745780.33 35104255.48 37055130.6 44462131.63 110786087.7 107857681.1 98874779.17 0DP 1288807.344 932376.5475 1371745.226 1043344.783 901306.6516 1002087.531 992961.9915 885867.7146 1038817.381 968602.4961 1119368.384 1080078.416 0 0 0 0 0 0 0 0 0 0 0 0 0DPH 6979875.495 7838890.681 8361161.054 6450045.361 6264225.691 6232371.647 7633263.504 6878164.865 6164246.694 5007501.636 5304455.85 5240065.498 16382864.16 17446159.4 17688037.38 12615739.33 9535277.359 10883153.89 11712356.17 12458308.47 14190798.46 11398060.51 10455478.28 10113789 niaci0mide 42513053.48 49452122.98 29346425.67 32562774.39 43053959.69 39881502.34 35408159.4 30857629.5 33333436.56 30687032.11 34543278.38 46443683 44064680.1 55463593.53 69192008.7 85420823.61 65984428.6 100261862.5 59342959.63 62595705.4 83050114.03 51804174.29 66094267.11 64725211.31 ornithine 61364338.76 61012584.17 55684156.72 36927283.43 46081749.09 44011731.51 47165121.02 63708726.32 47017438.71 35644333.91 31943158.76 38102448.8 44341152.09 45604583.27 43634992.53 80236473.02 91944280.09 98404159.73 36132981.2 42898233.81 35203429.11 65585904.43 75271432.77 85374586.84 palmitate 545504739.4 227517344.8 392662647.8 343511482.5 387189022.5 315745984 319899451.5 452473250.2 454324650.4 425073170.3 270283755 501374739.7 320167280.8 288861384.6 254400893.5 291985314.1 720650128.5 310817466.5 360639782.8 349782898.5 208708130.4 252461072 279968577.7 188967822.7 phosphocreatine 8580934.06 9626681.754 2756153.014 5830627.972 3303342.134 3447333.088 1920420.993 1795374.41 27818031.81 4480338.627 2576174.817 1427455.698 14992830.66 20386573.17 14881192.57 13905999.67 82801837.66 50022882.45 76721929.67 8691377.059 29254821.78 12051501.02 7480241.622 9215489.906 phosphoenolpyruvate 2382602.485 2425456.474 2671492.018 2709268.591 2576898.881 2955036.166 1693501.2 1690968.171 1742222.165 1790763.287 1775042.913 1310261.059 24133110.67 24326919.41 23533688.54 3710688.064 3915303.498 3420327.39 15078835.53 15557285.38 17657605.13 7795118.855 7244372.758 7256523.336 proline 6058154666 5244693752 6307105844 6299711254 5982111210 6292650309 5686179338 6812087869 5099950092 6630620530 6055831371 6300716107 11763915152 10943676538 11154910484 9509472079 8762788695 8690690000 9506697096 8337877394 9471216944 9822201644 10684428491 10254029313 Pyridoxine 75423298.07 90693567.31 54993095.42 51236741.94 69451250.38 50094228 51129292.42 57852853.4 50543997.9 44547899.49 54022526.86 55500370.48 80004637.39 92706855.21 93291641.82 94052805.5 88978529.88 112957326.6 78060903.83 75030707.77 89322380.51 95144159.27 98567318.86 102697499.4 Ribose/Ribulose-5-phosphate 660237.7378 1006574.745 970585.2055 1948850.08 1973976.751 861288.9639 1268137.842 533571.9173 202855.1977 1532395.532 1518355.81 400751.6343 5568624.502 5020131.482 5354522.075 12890147.75 12962015.32 11809904.95 3605629.509 4978183.045 5664844.496 6712211.938 6378807.233 7435916.282 S-Adenosyl-L-Homocysteine 7488602.467 7602704.676 8440196.243 7113157.249 7171531.953 6064252.548 8881081.315 10179073.89 8903579.793 8258252.87 7267505.228 7812867.915 12270039.4 11723077.25 11198208.05 6010869.525 6252135.313 5728606.834 11759600.02 8495900.596 10414250.02 7619842.972 8404923.664 8548331.587 S-Adenosyl-L-methionine 118060240.3 91565684.33 135137387 84883938.74 82893384.35 90199406.2 137707142 170701759.8 114234539.1 108149304.3 96978994.17 103618520.9 177748220.2 160954928.3 174644735.1 112896772.3 106708407.5 88688043.8 123237093.1 144426828.8 136617895.4 112775372.6 105562556.3 109163740.9 sarcosine 253718592.6 239756441.1 254272721.2 257487021.9 219515500 251095664.5 226592326.4 184728595.6 209436763.7 241238385.3 217502311.5 228562797.6 1230469379 1202297639 1274034780 423045303.2 347675616.5 429091201.9 985672450.5 1049494084 1192664173 402118835.6 434207126 411441698.8 Sedoheptulose-7-phosphate 2743904.266 2590948.161 2888856.77 8263939.045 8456617.211 7270619.616 2501910.38 2203029.703 2440399.034 8713726.359 9218279.736 10122773.16 1322851.078 1987266.106 2055228.26 17023123.02 14249852.12 14691388.73 3496552.647 2790349.034 2780686.768 13785001.2 13589320.43 13474221.76 serine 123983964 104446469.8 116248759.9 106015317.1 126652098.5 132905569.3 118168309.2 127619585.4 119479425.2 135873925 116261115.1 147873422.6 87806763.44 94556782.83 92247042.3 221989423.5 190899139 210496008.4 98927811.02 114795245.1 115059340.5 187368309.4 200609761.4 184521392.3 sorbitol 13270452.68 23138679.94 12744031.33 12878210.07 16338716.53 13801760.38 12723555.03 12384964.28 11201748.27 14992776.77 12223991.87 14153770.18 26778937.26 27253358.39 27618624.28 120224055.5 123428229 124758583.4 25460247.37 28249108.73 27910485.57 151148646.1 143243264.7 159554933.7 succinyl-CoA 2207571.067 2229631.032 2625572.596 455502.6337 540465.0135 485486.0334 2320116.682 2108610.938 1656547.913 403225.2372 473200.0149 535649.1405 3283092.81 3367283.306 3957441.021 594087.6091 499811.3804 335644.2298 2510039.728 2698556.407 3175774.075 671359.6486 623559.4195 562629.6617 threonine 604716799.8 578979465.3 618438260.4 480518344.1 490385740.6 433571287.6 503146597.8 521688891.7 446145335.9 465635831.4 437125495.4 492398258.3 518054775.3 486699813.7 471740971.2 553724113.1 519471132.6 600698690.6 255329268.6 383106737.7 333416516.6 438392476.9 537080931.1 538055084.4 tryptophan 111077115.6 125249397.6 115893646.5 99688660.84 106664165.1 85072824.98 103573028.1 124109090.9 96252444.6 90535738.35 84982348.3 93248545.45 133994704.4 123238298.4 130737093 186683584.5 161447438.4 178062956.6 93269149.05 98436229.11 109903903.3 173947817.6 197693734.9 193417585.1 tyrosine 524154329.3 460081718.3 502338962.8 321418142.7 386526152.6 302076211 353644091.6 453287313.9 388663208.8 364108476.5 290130465.3 333061222.1 422654576.1 390166135.1 401509122 473816605.3 627182942.1 511044657.9 298844314.4 362275016 356721391.4 476250867.8 474822920.1 596850521 UDP-Glc0c 105070234 101828053.3 107541476.8 51354059.58 48141277.7 47592183.68 204170279.1 184856728.1 176784362.5 92487280.99 100996313.8 101566336.6 164081169.6 175783436 173845637.8 12803844.32 19863606.53 16503289.14 224204628.2 200633035 243496664.3 58576039.48 48499730.09 52708708.29 UDP 10441449.6 8390103.317 11366983.98 9127676.015 8779798.688 8633186.729 20012150.6 21962575.65 19860166.28 25481935.66 27357270.15 30042928.2 11525163.43 10732873.03 11873399.44 1504074.48 2146584.49 1927773.447 14389924.93 13363277.41 14075509.51 24022678.03 20051970.39 18916248.95 UMP 0 403266.9155 475891.8197 1898518.819 1841052.663 2574960.346 2941058.18 1508420.238 2023735.099 6695019.122 6171729.405 6259884.682 3929890.803 2716919.38 3585367.851 1027257.489 938054.672 561261.5287 5988725.428 5404572.839 3735620.965 9997205.825 9191023.295 9210920.743 Ureidosuccinic acid 15144343.98 8684107.615 13897085.24 271937087.9 254706432.5 264787710.7 0 0 0 0 0 0 1934997.776 997662.3903 4460526.364 231678678 179098718.7 157058523.7 0 0 0 0 600353.9203 1491354.489 UTP 97040822.18 110019684 112186805.4 56593925.31 51117573.49 51135758.48 241656299.6 184295402.5 174459447.8 123070802.2 157881018.5 158213341 213964939.3 223878517.4 219267718.9 14488566.36 15943575.26 16829529.71 269570442.6 259014795.9 341797634 204605320.9 189578474.2 189471991.1 valine 106874291.8 148465362.1 160499871.2 142162689.1 111031388.3 73549038.97 154564644.2 140992887.4 98829884.36 84247038.24 139571959.7 108998598 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 2-aminobutyric_acid 2-hydroxyglutarate 3-phosphoglycerate 3-ureidopropio0te Acetyl CoA acetylcarnitine adenine ADP alanine Alpha Ketoglutarate AMP arginine argininosucci0te ascorbate asparagine aspartate asymmetric dimethylarginine ATP betaine Butyrylcarnitine C5 Carnitines carnitine CDP cis-aconitate citrate citrulline creatine creatinine CTP Cysteine-Ellmans cystathionine dihydroorotate dihydroxyacetone phosphate formyl methionine Fructose-1-6-bisphosphate GDP Glucose-6-phosphate glutamate glutamine Glycerol-3-Phosphate glycine GMP GSH-Ellmans GSSG GTP guanidinoacetate hypotaurine hypoxanthine IMP isoleucine leucine lysine malate Methionine sulfoxide methionine methylthioadenosine myo-inositol N-acetylglutamine N-acetylmethionine 0D+ 0DH 0DP 0DPH niaci0mide ornithine palmitate phosphocreatine phosphoenolpyruvate proline Pyridoxine Ribose/Ribulose-5-phosphate S-Adenosyl-L-Homocysteine S-Adenosyl-L-methionine sarcosine Sedoheptulose-7-phosphate serine sorbitol succinyl-CoA threonine tryptophan tyrosine UDP-Glc0c UDP UMP Ureidosuccinic acid UTP valine METABOLITES_END #END