#METABOLOMICS WORKBENCH alanyl_20251203_125023 DATATRACK_ID:6825 STUDY_ID:ST004468 ANALYSIS_ID:AN007491 PROJECT_ID:PR002390 VERSION 1 CREATED_ON December 18, 2025, 6:37 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 SEM or NALM6 cells treated with BCS, 6-MP, MTX, ST:STUDY_TITLE ADDA 5, or a combination. ST:STUDY_SUMMARY We investigated the effects of bathocuproinedisulfonic acid (BCS) treatment (a ST:STUDY_SUMMARY copper chelator), 6-mercaptopurine (6-MP), methotrexate (MTX), or ADDA 5 (a ST:STUDY_SUMMARY complex IV inhibitor) on intracellular metabolite levels. Cells were treated for ST:STUDY_SUMMARY 6-8 days with vehicle or 50uM BCS, and/or 6-MP (500nM), MTX (5nM), or ADDA 5 ST:STUDY_SUMMARY (10uM) for 24 hours. Cells were seeded at 0.125 million/mL (if passaged after 3 ST:STUDY_SUMMARY days) or 0.25 million/mL (if passaged after 2 days). This experiment revealed ST:STUDY_SUMMARY distinct changes in nucleotide levels following each treatment. 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 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 - 20250912_QE2_HILIC_drugtrac_AYW1547 Sample source:SEM leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1547.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1548 Sample source:SEM leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1548.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1549 Sample source:SEM leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1549.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1550 Sample source:SEM leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1550.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1551 Sample source:SEM leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1551.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1552 Sample source:SEM leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1552.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1553 Sample source:SEM leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1553.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1554 Sample source:SEM leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1554.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1555 Sample source:SEM leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1555.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1556 Sample source:SEM leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1556.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1557 Sample source:SEM leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1557.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1558 Sample source:SEM leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1558.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1559 Sample source:SEM leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1559.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1560 Sample source:SEM leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1560.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1561 Sample source:SEM leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1561.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1562 Sample source:SEM leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1562.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1563 Sample source:SEM leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1563.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1564 Sample source:SEM leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1564.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1565 Sample source:SEM leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1565.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1566 Sample source:SEM leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1566.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1567 Sample source:SEM leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1567.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1595 Sample source:NALM6 leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1595.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1596 Sample source:NALM6 leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1596.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1597 Sample source:NALM6 leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1597.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1598 Sample source:NALM6 leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1598.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1599 Sample source:NALM6 leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1599.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1600 Sample source:NALM6 leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1600.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1601 Sample source:NALM6 leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1601.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1602 Sample source:NALM6 leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1602.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1603 Sample source:NALM6 leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1603.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1604 Sample source:NALM6 leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1604.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1605 Sample source:NALM6 leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1605.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1606 Sample source:NALM6 leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1606.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1607 Sample source:NALM6 leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1607.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1608 Sample source:NALM6 leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1608.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1609 Sample source:NALM6 leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1609.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1610 Sample source:NALM6 leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1610.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1611 Sample source:NALM6 leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1611.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1612 Sample source:NALM6 leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1612.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1613 Sample source:NALM6 leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1613.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1614 Sample source:NALM6 leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1614.raw SUBJECT_SAMPLE_FACTORS - 20251003_QE1_HILIC_drugtrac_AYW1615 Sample source:NALM6 leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20251003_QE1_HILIC_drugtrac_AYW1615.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 bathocuproinedisulfonic TR:TREATMENT_SUMMARY acid (BCS), and/or vehicle, 6-mercaptopurine (6-MP, 500nM), methotrexate (MTX, TR:TREATMENT_SUMMARY 5nM), or ADDA 5 (a complex IV inhibitor, 10uM) for 24 hours. Culture media was TR:TREATMENT_SUMMARY RPMI-1640 containing 10% FBS and penicillin and streptomycin in 6-well plates. TR:TREATMENT_SUMMARY Cells were seeded at 0.125-0.25 million/mL and counted and passaged every 2-3 TR:TREATMENT_SUMMARY 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. Four 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 MS:MS_COMMENTS were: spray voltage = 3.5kV, capillary temperature = 320C, S-lens RF = 50, MS:MS_COMMENTS auxillary gas temperature = 350C. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized peak area MS_METABOLITE_DATA_START Samples 20251003_QE1_HILIC_drugtrac_AYW1595 20251003_QE1_HILIC_drugtrac_AYW1596 20251003_QE1_HILIC_drugtrac_AYW1597 20251003_QE1_HILIC_drugtrac_AYW1598 20251003_QE1_HILIC_drugtrac_AYW1599 20251003_QE1_HILIC_drugtrac_AYW1600 20251003_QE1_HILIC_drugtrac_AYW1601 20251003_QE1_HILIC_drugtrac_AYW1602 20251003_QE1_HILIC_drugtrac_AYW1603 20251003_QE1_HILIC_drugtrac_AYW1604 20251003_QE1_HILIC_drugtrac_AYW1605 20251003_QE1_HILIC_drugtrac_AYW1606 20251003_QE1_HILIC_drugtrac_AYW1607 20251003_QE1_HILIC_drugtrac_AYW1608 20251003_QE1_HILIC_drugtrac_AYW1609 20251003_QE1_HILIC_drugtrac_AYW1610 20251003_QE1_HILIC_drugtrac_AYW1611 20251003_QE1_HILIC_drugtrac_AYW1612 20251003_QE1_HILIC_drugtrac_AYW1613 20251003_QE1_HILIC_drugtrac_AYW1614 20251003_QE1_HILIC_drugtrac_AYW1615 20250912_QE2_HILIC_drugtrac_AYW1547 20250912_QE2_HILIC_drugtrac_AYW1548 20250912_QE2_HILIC_drugtrac_AYW1549 20250912_QE2_HILIC_drugtrac_AYW1550 20250912_QE2_HILIC_drugtrac_AYW1551 20250912_QE2_HILIC_drugtrac_AYW1552 20250912_QE2_HILIC_drugtrac_AYW1553 20250912_QE2_HILIC_drugtrac_AYW1554 20250912_QE2_HILIC_drugtrac_AYW1555 20250912_QE2_HILIC_drugtrac_AYW1556 20250912_QE2_HILIC_drugtrac_AYW1557 20250912_QE2_HILIC_drugtrac_AYW1558 20250912_QE2_HILIC_drugtrac_AYW1559 20250912_QE2_HILIC_drugtrac_AYW1560 20250912_QE2_HILIC_drugtrac_AYW1561 20250912_QE2_HILIC_drugtrac_AYW1562 20250912_QE2_HILIC_drugtrac_AYW1563 20250912_QE2_HILIC_drugtrac_AYW1564 20250912_QE2_HILIC_drugtrac_AYW1565 20250912_QE2_HILIC_drugtrac_AYW1566 20250912_QE2_HILIC_drugtrac_AYW1567 Factors Sample source:NALM6 leukemia cells | treatment:Vehicle Sample source:NALM6 leukemia cells | treatment:Vehicle Sample source:NALM6 leukemia cells | treatment:Vehicle Sample source:NALM6 leukemia cells | treatment:BCS Sample source:NALM6 leukemia cells | treatment:BCS Sample source:NALM6 leukemia cells | treatment:BCS Sample source:NALM6 leukemia cells | treatment:6MP Sample source:NALM6 leukemia cells | treatment:6MP Sample source:NALM6 leukemia cells | treatment:6MP Sample source:NALM6 leukemia cells | treatment:BCS+6MP Sample source:NALM6 leukemia cells | treatment:BCS+6MP Sample source:NALM6 leukemia cells | treatment:BCS+6MP Sample source:NALM6 leukemia cells | treatment:MTX Sample source:NALM6 leukemia cells | treatment:MTX Sample source:NALM6 leukemia cells | treatment:MTX Sample source:NALM6 leukemia cells | treatment:BCS+MTX Sample source:NALM6 leukemia cells | treatment:BCS+MTX Sample source:NALM6 leukemia cells | treatment:BCS+MTX Sample source:NALM6 leukemia cells | treatment:ADDA5 Sample source:NALM6 leukemia cells | treatment:ADDA5 Sample source:NALM6 leukemia cells | treatment:ADDA5 Sample source:SEM leukemia cells | treatment:Vehicle Sample source:SEM leukemia cells | treatment:Vehicle Sample source:SEM leukemia cells | treatment:Vehicle Sample source:SEM leukemia cells | treatment:BCS Sample source:SEM leukemia cells | treatment:BCS Sample source:SEM leukemia cells | treatment:BCS Sample source:SEM leukemia cells | treatment:6MP Sample source:SEM leukemia cells | treatment:6MP Sample source:SEM leukemia cells | treatment:6MP Sample source:SEM leukemia cells | treatment:BCS+6MP Sample source:SEM leukemia cells | treatment:BCS+6MP Sample source:SEM leukemia cells | treatment:BCS+6MP Sample source:SEM leukemia cells | treatment:MTX Sample source:SEM leukemia cells | treatment:MTX Sample source:SEM leukemia cells | treatment:MTX Sample source:SEM leukemia cells | treatment:BCS+MTX Sample source:SEM leukemia cells | treatment:BCS+MTX Sample source:SEM leukemia cells | treatment:BCS+MTX Sample source:SEM leukemia cells | treatment:ADDA5 Sample source:SEM leukemia cells | treatment:ADDA5 Sample source:SEM leukemia cells | treatment:ADDA5 2.hydroxyglutarate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2868527411 3600593871 4247780528 2205943237 2636208412 2314391210 4013507969 2621775276 2883661442 3861137591 3050197661 3053831024 1902878124 3606368669 3996929139 1920894816 1522926860 1194142315 2819272145 2969831635 3479990475 2.oxobutyric_acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 107660862.3 58447296.97 75802323.72 44633681.86 43811447.8 61505100.95 62432617.77 79219860.36 85908338.67 43422727.95 64632021.74 60434436.05 69690627.04 57182093.93 66680071.17 67975670.89 47163860.11 63199334.04 88969226.06 58007640.92 45014854.16 3.phosphoglycerate 6865491.119 12808530.77 9580623.044 5037736.039 5601635.78 6253682.235 20241014.83 32291793.26 18476828.98 5396579.496 5829734.509 5432065.339 22404292.03 15038428.5 16556422.22 5619761.996 4292115.294 3658954.875 12746934.75 11789818.29 14035630.58 2312223.606 3412323.45 2884715.299 6725575.522 6353849.985 5034932.648 6348178.934 6649458.116 4864293.6 6666764.719 6601048.168 6616200.218 3802277.426 3232719.671 3209443.994 5550343.986 6015522.265 5031891.08 3588798.286 5394131.743 4552821.564 3.ureidopropionate 256516375.8 226143673.7 256332094 193324436.2 169740187.3 192591129.7 287866993.4 179356801.7 210303721.9 240099608.8 250143654.9 250974478.4 152501661.6 262070106.1 256747912.2 203286590.8 222148207.9 187148191.3 263099582.4 269610216.1 241074722.1 101158651.9 58214018.49 75398599.2 43938256.37 42004777.27 61325869.56 62414754.63 78166332.2 87461806.31 42939255.23 66833323.62 59816976.21 64655606 58408074.46 69673396.83 67929311.53 45455855.61 58744101.01 88835443.19 57735506.67 46514202.29 Acetyl.CoA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6711165.097 7806973.891 2386422.327 5728235.061 2906381.813 4950877.9 3126325.562 4370248.28 5505435.584 2601503.821 2223481.584 2874528.69 6412159.835 8819392.105 5750528.996 5399392.75 4675789.988 5111077.626 7902643.743 8209911.905 9418637.59 acetylcarnitine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32676733.26 17003344.18 32576198.86 12974743.77 17774474.79 28591265.53 24969168.67 22701265.16 35285308.23 18703283.76 15689374.66 15245705.96 28773573.62 22862105.18 15679092.15 29125275.3 21900359.74 28218051.34 30153163.51 12558216 12807180.64 acetylglutamate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9827349.28 12954004.11 12066629.07 8582745.388 10196627.8 7659650.063 18401886.32 13669732.42 11457735.61 12534269.5 12448237.31 13044759.14 16366629.45 11340315.21 12070250.96 7981708.766 12219218.94 8912677.878 11953619.4 14536687.02 12605885.28 acetylserine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15127784.47 17846675.67 4373195.84 10165513.02 7982251.372 11268170.37 5014883.446 6699016.36 15574829.75 6399247.078 4010832.469 5770853.555 8048729.756 13753066.17 5054490.037 12542010.84 6330406.01 13341104.38 15313560.4 14693816.49 18037049.91 adenine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 392434280.8 166424516.6 314399607.4 110596608.8 179411908.9 390186718.6 226385691.1 190038901.9 328311283.9 175149340.4 112645414.3 112518026.2 153244009.6 209120763.2 292815798.8 252895844.9 116290100.7 197282773.7 361435825.3 177793690.8 195520536.7 ADP 28580705.48 29166495.88 31395827.22 22792452.05 17778580.95 26490237.62 10893043.36 18409441.54 18842703.62 4931227.622 4599561.201 5075431.244 39806912.06 20610671.56 51476599.65 36624707.97 13218855.19 15813932.11 23420356.25 20528522.63 23954204.9 52246516.69 59281332.97 61968971 56640966.82 58876067.11 46434912.43 40265698.63 39291715.83 32394373.55 29345251.3 30333150.9 30855141.03 62245435.27 56825621.96 55354171.4 47403617.01 55693128.73 50688148.42 48866513.11 60114335.24 60664591.07 AICAR 359033.8895 311542.4427 292894.4372 1132020.48 1455604.695 1444330.389 993228.8962 1192942.836 1387405.719 105811.0974 107464.8859 92728.31889 1709438.646 1796514.065 1800311.485 2377244.925 2969354.235 2229158.171 276255.6726 159759.4799 265656.4637 83014.06206 111774.478 148981.8504 476096.8901 524141.8348 355745.4962 257859.7678 302968.6092 274536.4454 236631.4224 182532.6307 251618.4569 1244218.781 1391486.871 1163135.543 2021959.955 2469783.402 2096640.288 100836.0984 168557.5226 113125.5724 alanine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18447161.29 23495886.63 23419432.59 27659095.42 15282611.35 21550388.59 25961223.52 34194541.48 25948309.15 25358791.86 35621979.19 32206772.85 24160788.81 24546563.04 20124097.29 21278791.71 33001498.41 22510776.44 16270230.37 26066339.47 20152214.2 AMP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6843227.405 8006152.492 6565123.53 12298727.12 12151029.59 11232423.48 6964734.566 6887770.822 5959046.644 8589030.369 8813182.857 8649539.04 8005027.227 8067811.763 8023916.705 9634413.115 9661752.836 8854331.628 7222120.961 8588488.7 8720787.745 arginine 1378832634 1014332219 1065131066 689036239.2 576700025.9 688718022.4 1057245776 1460370225 808676149.9 798474958.6 1027878927 822350205.1 1199666198 967585945.2 495844635.8 689372396.5 815034217.5 927288773.8 532244807.3 968985290.5 806113332 1804115979 1873735548 2019254649 1369986849 1420936297 1251949001 2039253557 1988411175 1704448512 1319411491 1704428790 1660475391 1934024679 1584534064 1954545940 1095551644 1458559609 1248013242 1642636991 1970342713 1744470704 argininosuccinate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7299095.824 9343601.521 10139508.94 8799201.147 9735325.784 6976131.122 6464839.907 6366349.56 5009016.742 5379639.38 5631640.719 5553268.726 9619408.89 8644723.226 8477915.588 6929772.967 7860163.002 6554240.667 8172080.689 9297487.1 8879934.145 asparagine 256306275 226113439.8 257005306.3 193513372.2 170660777.3 192542392.9 287494047 179504690.5 210100135.1 240642641.9 250143654.9 250977726.6 152652659.7 262034710.1 256728566.4 203652515.9 222148207.9 187170105.1 263099582.4 270833408.6 240883663.8 778134855.9 919404752.9 1005303157 625358488.6 638972038.4 510793202.6 918055758.5 875238283 746119027.7 667826540.3 670193027.8 695460399.3 884723525.5 884060448.6 900380254.6 548097262.4 630706008.6 519180036.1 757489178.6 823964970.6 818509518.3 aspartate 353481870.7 409359749.3 258164063 17939467.8 14267847.14 23068608.46 200607412.8 320181656 299426500.9 15029043.33 17770319.87 14984187.01 316750131 382772915.4 489160763.2 16578189.68 15424725.31 16956807.93 147560375.6 114212573.5 187208584.5 98262819.48 107840549 119232267.7 19754135.33 14604143.35 20878794.37 84051129.16 91190211.62 64917826.58 26563558.02 24741195.93 21444075.21 111413431.2 118830463.9 137247075.1 16376699.69 19461872.48 16729703.22 58282327.41 74649039.94 60145970.24 asymmetric.dimethylarginine (ADMA) 573537.082 732273.8654 927195.6697 1602265.984 1560297.963 1532336.673 781069.9212 1176646.805 788477.7567 2856015.825 2764619.03 2710540.589 1625518.978 870439.973 817672.9935 1839631.426 1385105.398 1541831.567 645261.6495 668816.0989 431139.2962 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ATP 147578592.5 185388156.7 165418914.1 142345166.3 95542545.56 79213577.23 63816284.17 60493627.59 111563877.8 27623810.25 29324974.33 27808608.32 183016631.4 120169764.9 149075469.8 122146331.6 83603367.23 97624491.04 128095040.9 110369053.5 133578684.6 292107972.3 298299501.7 285578786.8 228193436.1 251244001 193755827.3 227976857 261941521.9 188182635.6 130727685.2 147675784.3 137573750.8 332094402.8 298431240.1 301182006 198321450.4 241431085.2 223653395.7 253217756.8 350442080.4 306558169.9 beta.alanine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5970171.926 8564816.764 10014398.45 7370420.819 6986363.108 5853326.813 9105567.987 8746280.977 7023741.317 6956115.422 8963957.063 9380229.73 7793066.296 6507540.039 7211202.514 5347996.896 8439552.273 6167176.148 5787920.258 7398239.853 6735230.23 Butyrylcarnitine 53229434.95 60701332.97 53088409.46 9356292.341 7264791.523 13467019.82 54246279.9 36356602.28 46734343.28 3929015.601 4436276.372 3798890.868 30450105.75 46367218.88 77660560.19 12658588.78 7663256.458 7239092.274 43678699.29 53724466.55 41905163.96 43623212.51 33398272.92 38184115.81 33548126.62 33542295.02 40266221.62 24494677 32121292.6 34905393.74 16199282.35 17668163.46 18925716.95 37438896.74 29000853.72 36575421.28 38775563.27 30618521.2 41717217.76 43791465.38 33135460.13 34800431.73 carnitine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 103414415.1 118561250.2 82022036.68 164852970.5 128739219.7 130474140.2 84028165.7 83888945.52 109549157.5 131037459.7 112974257 114286491.6 127092855.9 126798771.8 100681562.3 139716072.3 124764373.8 137721044.6 105062634.3 105942240.4 127130094.6 CDP 2131198.534 1879164.46 1917068.707 724529.9233 744651.6587 867425.735 2348487.055 5920048.513 2678877.962 1346137.768 1266740.601 1380148.778 5317254.969 2229001.189 3878501.995 1146940.268 629524.9629 624140.6314 2202957.497 2090017.265 1880168.92 3192085.449 3979704.036 4244155.365 2936874.611 3126575.768 2424910.379 3584275.167 3350983.702 2744659.484 2650693.889 2589322.879 2688930.855 4131483.117 3580735.977 3615866.082 2450878.889 2797470.54 2578537.838 2617545.894 3390338.143 3440081.094 citrate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 116963581.8 147972213.2 156179673.9 35519641.97 30428343.91 26092380.34 124534962.1 126020871.1 98655865.34 27465799.51 28322209.66 26035884.41 156346747.6 156089052.8 145837623.8 23935830.92 31531733.17 22669865.12 103131476.5 119855740.5 122831276.3 CMP 395924.2691 236362.2789 280045.1289 354704.6456 296663.4086 491266.4411 468654.9521 441039.1559 491047.1874 599344.2466 573794.0469 586888.5865 628421.7431 435803.2683 603862.4106 514165.0882 279612.1021 301283.4528 424974.8144 327651.9933 406406.792 193979.59 234933.8374 283263.7813 397302.0275 430356.0724 426510.4133 261025.8095 226635.4547 219266.7906 488535.399 374895.0163 399434.5596 276633.1988 275435.7465 322751.6472 284578.4727 325276.5036 299959.3926 69570.59237 180165.6641 226787.0167 creatine 2205864142 2032141177 2329976810 2061468719 2067337197 1369922002 2776561617 1120792298 1828078910 2670759496 2838385145 2526366917 1111326796 1904076168 1145523406 1386942786 2542396718 1871099379 1810036759 1973790394 1434915537 101780346.9 123868339.7 92788681.84 162684046.1 116894980 128858783.5 89876629.94 102915375 116625220.9 156971034.8 166576388 165659575.8 132072049.3 128563782.2 100202923.3 136167092.8 170741708.2 138214831.2 116134546 153057814 133530508.1 CTP 6910838.359 7502024.589 8712144.67 1528679.494 1195399.794 1468864.351 10223787.47 25096815.27 13670407.07 3602478.204 4721285.413 4214262.316 24506846.05 7588276.787 12852336.03 2155119.601 1414240.558 1188733.386 6856612.923 6624485.41 5629929.553 23174729.33 22586698.09 21630084.28 14377448.23 15939591.97 12296040.76 27309765.33 31669046.35 22031867.26 17588322.13 21954348.03 19602078.14 25086365.51 24147896.91 23662318.99 12991683.16 14975709.65 15043063.66 18316502.04 23220384.67 22409844.94 cystathionine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3931879.992 4852985.361 5735484.043 3324292.496 3975433.336 2995421.6 5229825.019 4958086.552 4212273.983 4029208.139 3263864.971 3263283.271 3539515.058 5437538.779 5731178.332 2766607.289 2751768.594 2170582.177 2136653.868 2685634.56 3051619.268 D.RIBOSE.5.PHOSPHATE 501724.684 416215.5309 828789.2316 2632661.512 2418079.09 3394705.671 655153.8386 841500.4372 812524.6864 3823611.009 2808386.859 3192669.061 657461.9447 515791.0958 603119.4861 3244333.098 2516901.818 2499920.294 668865.7786 797269.8415 773474.7369 1384987.118 2040986.771 1287156.263 2164767.192 2588446.959 2131835.405 2934918.01 2564127.097 1656553.143 4112138.546 4326690.017 4048361.698 1338147.518 1108680.903 1252020.207 1819127.53 2349455.651 1913211.135 2633877.424 1620403.897 1220849.477 dihydroorotate 817449.276 1625702.172 2843941.346 37943981.31 47959613.04 28622130.47 425190.2767 918093.9642 1066705.969 15868395.44 20659805.38 15040168.02 758844.1018 676972.7336 1892738.541 34766617.05 44840191.11 47969838.54 1579758.568 1620511.516 1586779.714 1480780.643 1960419.054 534850.6862 20703590.95 15036329.38 22706880.28 519720.0792 740657.9511 1612960.457 8345200.003 4005346.754 5675126.564 654778.5148 1197162.12 283804.0325 23246002.73 15258193.43 23027680.99 2603111.486 2410770.213 3241407.224 dihydroxyacetone_phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 127999.7046 457569.5384 233969.669 2199525.802 3266050.085 3307825.605 1312187.654 1225618.212 671223.6684 7074196.429 5456709.067 4685892.955 509433.0755 113461.4549 574126.6994 2663552.31 2148021.354 2268936.322 839837.8465 537036.0827 1143504.044 Fructose-6-phosphate/Glucose-1-phosphate/Glucose-6-phosphate 730710.2508 743694.4173 736249.2178 1602114.294 1751815.689 1858756.456 1556672.121 1953908.13 1520722.644 1927738.544 1959544.215 2137024.223 1193412.932 635060.2108 1025862.188 1873135.911 1407035.655 1583210.94 903099.8451 640450.0324 782020.0816 1120901.395 1259968.853 1367295.625 5072950.855 5083713.929 4418394.968 1832030.376 1863548.878 1445529.506 4909602.314 5125491.299 4999993.57 1417491.397 1366683.06 1412181.126 4898355.858 5278985.318 4686771.855 1816855.614 2356393.998 2157066.706 Fructose.1.6.bisphosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2105372.623 2442981.932 2346689.713 3589190.542 3672912.772 3284668.397 2388572.52 2560414.493 1757553.707 4757768.748 5380814.977 4731615.584 1977252.114 2157510.885 2289623.293 3080356.196 3598870.087 3493319.995 2120319.871 2702843.842 2704959.221 fumarate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14677997.58 21753371.33 22098603.55 20028683.84 25275458.88 15028295.43 18299210.59 14785507.52 10828621.41 9930211.935 12619698.1 10285115.13 19362927.89 20626191.64 17147188.5 14494109.33 23049789.48 14164223.18 20814436.75 22910543.21 22140490.07 gamma.aminobutyric_acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20578774.07 22643276.09 25058260.91 24371839.47 23782000.69 20034845.99 20463383.4 18213365.14 18198592.97 16982647.6 20009903.34 25463125.47 28793380.9 26031846.15 26555057.92 19990746.78 22657830.94 21767920.93 17014756.96 24599866.45 18370874.19 GDP 1017090.071 887267.0703 1177297.984 2041423.105 1974182.922 2150640.019 724337.8979 1744728.072 722048.3279 1660667.292 1735054.227 1551036.878 3339817.945 1068345.574 1693168.809 2541527.396 1803636.672 1743549.859 1148242.089 986375.8359 1238334.28 5866181.3 6270817.266 6797663.979 7002829.192 7245028.689 5739387.003 5546075.928 4987279.68 4556421.506 4406940.897 4780304.932 4807289.162 6959611.24 6094290.027 6092808.041 5865068.904 6814781.522 6223493.776 5225950.325 6595533.28 6636706.537 Glucose.6.phosphate 731099.6411 744022.7314 736119.5339 1628927.512 1770125.955 2108433.135 1559300.504 1962381.194 1530987.859 1940911.121 1970868.534 2145106.799 0 635020.7915 1025720.417 0 1414331.971 1569482.845 0 640468.4367 811839.4435 477995.2876 410666.292 570700.4145 804571.1449 851070.3141 575698.0391 623419.61 470687.6248 559336.5892 787239.6383 753308.9232 751610.1907 659244.1938 580078.9759 537144.8229 631588.0544 779199.6422 663437.9087 540878.3287 722274.3546 599707.3008 glutamate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1478359015 1747916409 1887895011 1311335525 1180627392 1053153491 1816465235 1823583692 1491337547 1194800161 1294804188 1232473663 1942667674 1798526468 1794993081 1110456090 1331831811 1153159919 1630373984 2043224937 1893060083 glutamine 4580676963 4380667007 3542343810 3100616422 2896448879 2890257426 3968001781 2643744356 3048716592 3650916110 4100262745 4070152873 2399182357 4541747442 3769385900 3123243050 3317244159 3221105815 4545254936 3772162181 4595443469 6656948104 7794435782 6705846332 5479463351 5519917171 4714672215 7887689109 7884813223 6416163191 5880166902 6298060646 6020829023 7804062357 7169363239 7259536877 4614504434 5278731168 4459990878 6387242559 7244299282 6903304986 Glycerol.3.Phosphate 3134780.375 4212099.311 5225114.244 111485140.3 143672737.7 119723141.7 2907662.151 1118375.253 3391924.782 149015704.5 129535815.5 128342335.2 4365191.909 4751424.528 3494285.861 110542128.5 135260996.8 130665868.4 11438207.92 8267960.49 9048962.292 11081973.62 13620650.18 14626877.54 108092790.2 108811436.1 96079116.01 26060638.56 23931477.86 18675133.87 126951322.9 124111744.7 124018892.8 14864283.48 12603586.16 13407634.84 95431162.03 109156916.3 94181360.06 31119611.42 37178225.41 36392486.96 Glycerophosphocholine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2878446737 3255648034 2376452594 2277955484 1626380055 1755771423 2058972941 2518452945 2257824359 1748296999 1821046205 1800735166 3664887002 3438279248 2930294003 1999873216 2701156197 2153975046 2950714399 3823117587 3265161075 glycine 26180349.95 25642088.9 25378775.17 21342904.89 18377040.88 38853583.88 33427665.06 24237086.46 25238040.15 27034098.79 27282600.71 26882539.75 11084718.27 28932725.45 33799526.44 25963796.51 21501116.24 19673788.9 40082425.54 26664527.45 23171751.06 11452829.08 13163368.17 11746867.92 10181754.69 8248492.291 8182205.298 15483094.46 13672795.85 10990049.57 11540979.18 13328305.98 13857866.82 13339121.97 10237566.24 12627563.99 8800242.171 11044097.29 8061186.036 9745233.852 12947614.01 10706330.16 GMP 416453.5666 458576.86 391182.981 2371041.014 2100863.694 2524117.263 223490.0997 274232.1126 227544.7162 3417654.484 2664982.42 3476493.636 527826.4303 326441.9366 523929.8928 2453745.902 1429689.304 2051109.464 553804.7666 305469.7761 482993.5427 874795.0791 1067504.799 1237051.131 1777850.56 1924561.774 1453497.538 1221764.17 1007115.318 1017163.037 1483544.499 1538388.278 1483099.206 1013164.603 1159445.232 1016715.407 1404203.933 1705767.852 1401339.63 875869.5937 1139897.31 1036246.646 GSH_Ellmans 413919351.8 353776423.7 347265413.8 336377561.5 384384202.8 386664597.6 331626973.7 298325233.9 343321798.2 423404819.6 312258568.6 371931375.9 356725992.5 470420858.8 360198755.5 345637477.1 379834719.5 355648200.6 426961606.8 299064399.1 460574741.7 369765335.6 445366647.6 439217246.9 484240916.7 443847254.2 386961453.3 507099537.1 503878002 398251052 399447781.7 423130138.2 425336453.5 460642262.6 425858442.5 431293264.1 409170005.2 471026000.8 417614809 418650638.1 533919511.4 492339227.7 GSSG 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3908515.603 4279416 4372776.347 5718182.348 6525617.213 5152507.468 6138289.698 5589106.326 4000507.63 5318608.221 4479623.145 4984215.536 5518085.789 4743327.691 5410862.194 5270758.506 6472983.245 5561432.459 3823145.878 5722649.325 5644718.379 GTP 5807857.626 5511411.945 6262436.233 8956762.943 5392647.651 8134106.079 3054232.421 9902490.056 3173321.499 3212910.895 4644361.762 3822463.809 19652514.55 4765917.264 9587540.192 11338667.69 5995509.155 5693300.984 4981216.812 6957290.611 4402026.934 22657228.85 20112304.02 19346434.81 19986080 22876169.65 18218238.87 19666864.63 22610938.35 15962284.64 15325296.97 19824217.46 17193366.73 22381972.46 21204769.23 21412680.91 19144333.35 22084401.37 21466690.38 18947202.55 24215933.86 22410696.54 guanine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24342636.47 21057177.97 18190818.31 11850501.52 9651422.898 28406457.4 10335819.81 7667555.233 23574512.78 13087760.35 6744701.641 8021945.553 6857913.609 19152003.59 15615321.96 19557414.82 7670475.047 15599952.93 23991072.35 10252014.33 23182196.07 histidine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 197558997 229171564.9 198595670.9 195417583.7 187151221.4 174699216.1 213763272 229760618.7 215919410.6 244191705.4 234877953.4 250324776.7 211353221.2 209241681.3 221119749.7 163024541.2 200991647.6 159599368.8 201901339 224796022.8 232362587.5 guanidinoacetate 17166555.23 14978148.84 15806502.59 19645932.34 21212319.76 17322647.58 14169234.46 10834754.09 15323427.52 33232804.4 36690637.55 33485870.68 6895144.549 12397433.28 9876437.798 17775473.09 21943099.27 22270346.31 11663781.9 12154319.06 9647143.622 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 hypotaurine 14110150.68 13169306.5 10500139.07 11889172.63 10786762.13 11349136.57 12697893 9473527.069 9179520.647 16036164.24 18751279.56 18414570.96 8722566.987 13795559.11 13044353.43 12994051.53 12211421.35 12280872.89 14636025.24 11269921.53 15821669.57 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 hypoxanthine 4390921.283 4467161.659 4429600.701 2800028.311 3071435.37 1659736.906 3582187.344 1509341.523 2944675.061 3860390.542 3677610.179 3138333.837 2476386.854 4004164.8 2066438.896 1444790.114 2653794.089 2662721.517 6653463.111 6939533.795 8181095.361 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP 1095895.436 1030235.927 1249325.555 39142031.63 40618875.36 36701050.69 2708843.503 2640128.892 3481150.306 4261298.873 3495098.903 4222842.404 1666527.392 1527934.667 1448432.347 33872681.43 38018381.5 41610856.74 2197668.733 1810211.467 2091470.939 151837.8876 302136.8132 518714.1872 6251167.017 7693706.046 5874829.525 1538501.649 1527186.662 1303148.863 4518191.563 3879281.186 3285688.249 493365.4397 548069.6872 802699.6437 5272549.513 6488260.88 5207524.283 650698.0023 513891.5758 394480.9507 isoleucine 357508512.7 252023986.6 268369900 294185285.7 342086595.5 212611225 256975908.4 224615590.3 243363092.5 301220612.4 347475996.5 274128795.8 174024714.3 166939158.7 195012384 227198709 259138075.2 268755475.6 292818691.5 299982280.8 273767318.6 528963722.4 233960946.9 431434847.3 100068852.9 282376519 510514865.8 484171140.2 373466738.3 596896525.1 341066840.8 296683622.7 364085826.6 243611080.1 313119255.4 283531660.3 480709382 221234704.7 478881107.1 685566449.9 272066601.3 412052695.3 Itaconic.Acid 3282698123 2943571750 2906939684 2450633870 2268742280 2933205771 2970757083 2500120022 3596744224 2949982485 1931397535 2661727095 3672478849 3575029237 3154642458 2819833462 2466995951 4125578326 6026289104 5204443062 6579749232 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 leucine 365950060.2 415978227.7 354842397.1 399078830 355319005.8 266512528.8 339920728.6 234009211.8 361405624.7 447152707.6 464071676.6 484986471.6 217246115.7 351190220.7 219975000.9 295313270.4 295120890.2 442122789.9 426151787.3 425002590 395922308.4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine 15899922.19 12455133.94 12977683.55 18085581.15 18345072.86 19810263.93 12989778.07 28568657.24 15081233.23 19438488.02 24869719.27 15280822.24 21026767.27 11601560.99 10712209.14 20178887.02 17981329.25 16640120.57 10712355.43 17164858.28 12764368.62 23452299.31 24136705.52 29403776.1 18366850.21 18471263.17 16900999.61 27046410.65 28334604.1 23894893.37 17253601.79 24597000 23747775.12 23104216.63 20540159.37 26723720.31 14214453.65 18495738.83 16010979.56 21833394.72 23765287.4 23552933.87 malate 705731760 710473628 755661622.5 254665179.6 209586110.8 350383302.7 612286369.5 244165173.2 382396168.8 196393170.6 164030117.7 125352457.9 699061530.5 581380189.2 735750903.2 305902316.4 388091146.8 249660439 581209319.3 675866277.7 700865129.4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Methionine.sulfoxide 118649251.6 140612697.2 140799302.1 106336768.8 84707760.17 57971692.97 95747873.6 63650742.92 102086079.1 101432722.9 99723825.17 87053520.08 52721745.38 120913101.2 55346667.92 53902431.58 102342527.9 132775435.2 118791767.5 135653143.7 133579893.6 158388310.6 193415037.4 114336102.4 165188879.7 78705714.37 154491524 140551881.8 101380054.4 173084284.6 129495802.3 102639497.7 167290978.2 125280719.2 193793250.4 159171309.7 133290172.6 109187354.6 131136891.3 172693551.5 174476797.8 197829231.3 methionine 150868563 148039331.6 143962717.2 142239712.5 134648805.7 85155517.29 117260813.7 76997216.92 111697315.9 130871362.8 138825875.5 137177224.6 70876751.16 126625280.1 69271161.54 78687949.33 125515752.1 136547427.6 146370883.5 168222705.1 173629797 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methylthioadenosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11571988.18 4428885.868 6622835.469 4058269.888 3457428.689 11226838.84 5370475.923 4148397.695 10477862.71 3001039.095 2292505.978 2086911.293 6193055.952 4409252.648 6822464.089 9622306.461 3214422.212 10295799.54 12399151.94 5225796.074 4617117.384 myo.inositol 246789242.1 213169491.4 238512597.9 173706216.2 164711385 287166842.5 210965020.9 109607829.7 165454231.6 236948261.7 250612384.2 226557199.9 234779466.8 214114022.7 277659359.8 240474419.2 159803551.5 170550252.4 146672158.2 142586799.8 137298855 227435769.1 251283063.7 288018075.6 303876141.5 316579599.9 253666356.9 290037095 293118562.3 227143128.3 286712059.4 311378240.6 297844462 287035705.7 260255169.6 261228806.7 272287757.6 308643928.2 271241571.9 211106218.8 266748321.2 238615661.3 N.acetylglutamine 172915673 170469784.9 159269405.4 103735551.8 83427629.71 55641713.21 135075127.4 89454188.42 157143594.1 137299694.4 150595446.6 133805198.3 64144782.34 138315371.8 81064601.61 58450222.01 111191313 100601732 178669753.8 198725898.9 33952494.46 9128117.127 10607004.32 10091321.7 8013990.684 9688746.172 6822127.216 11839602.98 10220479.73 9865111.596 11634844.45 10346026.48 11992981.97 14392205.42 9968264.551 11614391.24 7610684.284 9291620.962 8000929.308 10620057.44 12815893.25 11561379.16 NAD 151194530.8 159417938.5 115415607.2 89386911.71 76521658.5 62266255.01 118070746.8 103837095.9 103571428.6 94735120.81 100631627.6 102360303.3 74277256.42 145254238.6 132074069.9 67666369.15 89602726.26 77624595.28 198510261.8 164419520.7 175898254.5 166211982 198507368.2 167052234.4 144734937.8 148852425.3 119900611.4 218502601.8 214094216.5 168917193.1 146939841.1 150559051.4 144220664.3 199168778.8 201231904.8 192314775.5 121611462.7 139892469.7 112353885.4 184580533.6 223758775.6 211195943.9 NADH 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11049670.79 14407819.9 8967127.448 25160457.03 18368583.09 23197281.27 9797487.409 9753224.415 11701824.01 27696438.6 18950503.32 19909295.58 10568253.57 12474586.25 11458840.23 19875041.06 18285967.87 21215277.34 13681291.79 12857300.19 17253660.57 NADP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1559280.701 1824969.773 2075767.858 1646267.135 1645891.199 1233995.96 1660857.497 1794201.978 1395959.562 1295523.767 1355650.451 1279521.062 2121479.132 1816503.767 1786167.393 1364503.419 1621454.61 1379862.258 1919422.312 2422102.995 2334372.37 NADPH 2383262.5 2026566.186 2579284.971 1422462.073 1418221.007 1247239.054 1617500.089 1627225.851 1860813.556 1253259.455 1436979.398 1312050.185 2111170.361 2329607.75 2284541.077 1361314.804 1684662.168 1684063.495 2525307.918 2230095.841 2660250.807 3507538.884 4756903.262 5239971.501 3615395.739 3971042.15 3312608.852 4809926.57 5088770.753 4015098.845 4191242.415 3441074.515 3572606.643 4232911.153 4430779.116 5314609.432 2556143.056 2685697.404 2841836.973 3758367.431 4274095.514 4748011.009 niacinamide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 69101838.71 17120570.81 38375915.39 35318695.63 31630264.92 72605125.21 33663791.11 50428624.44 85461386.52 32635476.15 29985477.08 28971437.31 39133524.49 27648940.32 38783384.34 65089018.86 29332057.66 79785754.33 101269867 36283100.03 39596225.91 ornithine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13144195.67 14451401.47 27038091.45 10455693.13 10089515 9071594.172 14384112.72 14077784.39 13500341.47 9516541.479 13072454.03 13903253.82 14447660.72 11951439.55 16657683.18 8297982.786 10253262.63 9463932.915 13958401.1 13748573.17 14656760.04 palmitate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 237232214.5 75902286.17 72793149.99 32158532.34 43280987.32 66975816.09 51223646.31 51202050.62 203806308.1 44141591.87 37406184.47 39616748.37 77247011.02 36393767.93 42353890.21 72750364.89 26014799.52 108537467.9 96957607.87 23130870.82 50106572.88 phosphocreatine 1742186.946 2413251.056 2769860.055 3002100.603 3669210.409 2941640.919 1734001.885 1236412.169 2219147.781 2399434.631 2255391.584 2717031.126 2650699.152 2214073.609 1867696.712 2772652.884 3549955.825 3237125.703 2152337.394 1346879.529 2008369.264 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phosphocholine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19236105658 23500151456 24645331125 15142664696 15493969773 13149512790 20773334730 20745957283 17095065671 11712444755 11401566926 11728063262 24896711174 23031951245 23707460055 12733487680 15683993901 13373049010 20091915486 23912813233 22323873699 phosphoenolpyruvate 5284112.989 4270248.651 2250257.085 689777.5312 721756.9775 521600.0684 8289766.21 10327093.42 7927926.015 1070024.071 429635.6063 1123947.01 6836277.302 5756556.4 4371236.754 636108.8614 688306.8428 474208.9486 4541805.276 5064326.658 3413742.695 492214.9889 507024.9699 537793.0252 580619.7772 826978.3764 770936.5388 1246940.533 1358579.16 1021395.078 819671.5422 1035150.892 1113443.012 552952.759 658726.9994 549917.5608 661480.3856 702309.1317 535130.7448 565512.5427 671292.4934 599342.5054 phosphoethanolamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 327156.8452 389443.7232 644198.5395 1212489.573 1362879.995 1106509.24 1980807.675 2004146.579 1434475.353 4633944.878 4671022.856 4194065.522 168573.3763 697510.6295 588288.2245 1001370.202 1139897.585 645109.2753 875653.7313 625674.2591 1165931.415 proline 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2493818852 2805442193 886682221.6 2233111722 1058732105 2319492105 1034623740 1155333484 2742350509 1705946984 1608599046 1087511114 1871043311 2353657417 1924582292 2411482418 2007506244 2559191457 3729001905 2607765893 3329858092 Pyridoxine 78562616.18 72435662.65 67173369.99 42204143.57 42071234.88 63358561.69 68775688.36 44011218.36 57666015.74 56046083.5 53466250.6 54485029.23 34197673.6 65934799.05 70336677.87 54300565.3 41164168.39 37626988.37 71638077.86 89864324.31 76143372.67 85665230.78 40436766.63 54447223.76 37158681.07 38747660.33 62265283.26 41748491.27 60994004.85 78340321.59 30204503.8 37931568.82 41590829.04 56966331.38 33228970.44 49745830.05 65792467.71 41121407.41 70554448.96 91172886.07 46511317.34 43745281.85 quinolinic_acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6580262.522 8112181.816 7286187.914 6092690.734 4090506.058 5754590.563 10880247.02 10726753.09 7167660.683 4564078.466 8197362.8 8995482.655 7966782.01 9162806.112 6698433.302 5480155.919 7417593.321 5512935.457 5661371.867 8528844.125 7298593.844 S.Adenosyl.L.Homocysteine 3635308.788 5659957.111 5683833.02 1768869.937 1410616.059 1380109.954 3500300.383 2383999.492 3742756.142 1509051.345 1687822.517 1304723.599 1684547.879 3996357.323 2770211.459 1208275.876 2015565.583 2637466.637 5965771.406 6628872.329 7056261.415 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S.Adenosyl.L.methionine 80285870.2 74093440.24 79037294.74 42521744.99 47986907.41 39279504.85 76710028.76 43809598.41 69614921.81 22709188.8 24169536.44 23255906 63464937.21 78233795.06 69630677.63 41184936.29 46518036 48245978.72 74407369.13 81616039.7 68535096.4 122994042.1 161045177.3 174035652.9 107674224.1 116959170.4 90198958.92 138288693.9 133734006.2 117932375.3 99547313.14 98203872.74 100367017.2 148689230.6 162709932.8 152183167.2 94937653.17 108290319.3 87053482.22 137679129.2 149594180.8 151462259.1 saccharopine 434393.6195 211078.3165 535684.9424 6906129.253 8186272.307 6873659.181 299258.23 174860.814 429439.8031 8296826.678 6993724.819 8617208.81 574235.6348 367174.3455 343479.4756 6680534.73 8013970.938 8030542.203 177809.7761 115905.3471 419576.4218 642333.3121 717528.2075 385951.2626 389996.3959 741675.2584 288515.055 507547.8152 725372.5456 545788.9515 347422.8626 444829.6941 505469.8943 593119.8466 740376.6239 749768.3782 553321.7631 243550.6944 169678.9395 644645.2214 556219.8579 293004.931 sarcosine 0 108907361.9 102079504.7 50448397.47 49716213.52 34842671.87 121071051.2 61945995.2 74730481.3 56817058.34 62082454.7 56109219.88 0 101248406.8 0 37814119.36 58039450.59 45990743.14 76283063.47 76044441.64 78359086.86 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose.7.phosphate 251235.675 278173.902 194609.4303 2760017.333 2613225.526 2880136.15 168801.4874 56982.89647 120462.0732 1236050.379 1040753.329 1297629.186 308377.7068 221335.4208 344068.54 2783622.992 2251523.728 2254562.441 343920.4104 362190.1972 269292.198 1420242.312 1647562.789 1584489.988 8764892.06 9206961.585 7231855.691 1971270.891 1802367.592 1701280.442 8057413.313 8372445.074 8265553.232 1701597.201 1545178.426 1497185.624 7491107.328 8583855.398 7762135.897 2577285.711 3266319.604 2594793.523 serine 57289988.7 46893772.46 53689776.9 41650964.68 37772829.32 44076558.61 51882081.84 38288990.52 46004546.42 50042385.93 50542501.49 51191266.77 28909553.29 54913920.65 49518341.99 44094937.36 44295828.5 43701273.44 54418493.73 51249211.87 48543346.19 97998460.33 109070705 118610278.8 69597451.42 68881391.24 54496049.37 113295681.9 104492074.9 85105095.75 85122977.74 90452459.48 88920499.23 97321542.05 100597032 95550805.25 60290112.32 70951698.21 61088234.68 84203067.52 98491798.47 91684339.79 succinate 121654953.8 54910911.87 97574485.79 230642167.3 228720610.3 257715040.2 92455151.62 43985883.8 133251890.2 142148940.5 102387050.6 155201148.8 122570827.3 119645527 111191487.6 250092512.7 216907749.1 298465434.7 167963165.3 155191726.7 199750436.9 53556622.03 70999635.89 90978688.58 56318524.55 70104077.39 59747828.79 82508886.92 62445069.9 60922577.91 85785122.74 74321866.79 66524632.27 43401583.18 75324864.37 94963079.16 55165683.68 54395683.1 41008632.73 56667111.92 68092978.26 78460946.45 taurine 564261538.1 225027151.5 376996120.8 441540012.5 456584364.6 491455391.1 395903959.2 369484898 440208054.9 431919158.2 600582571.7 786476902.5 352033713 556070461.6 556842042.2 554775842.8 438040022.7 267977829.3 485499430.3 513995682.5 493770618.6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 threonine 201416141.3 212174222.9 225722766.1 138836562.6 152276332.7 134256267.1 212248784.7 59866301.55 173035655.9 140210966.3 171400642.1 177430883.2 71405365.41 162169210.9 86100024.93 92807791.13 164281982.6 133299858.7 202625466.6 247672998.9 232006310.1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 tryptophan 40662123.47 41770582.55 37836307.55 36807871.06 37041174.79 24800181.39 32791630.57 22389952.02 31917641.3 35831926.43 39084537.92 37848633.04 20123322.04 34071285.25 20720798.47 21856159.49 36058964.4 35395069.11 44923588.16 44406886.31 36585123.48 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 tyrosine 132576999 148499713.5 156904184.8 120478050.9 117260999 104583233.6 105095769.8 84044259.93 118096335.3 122027632.1 126251022.3 124335080.4 73076081.19 122059942.8 77757112.9 94198970.62 126021933.2 156882979.8 161835525 175587028.9 203375424 168727721.2 203685431.2 67317968 164244066.5 90369966.93 175278825.6 92961177.08 83698972.04 194918627 138824510.4 72360781.6 109362017.1 69349046.64 163966783.4 172492048.4 137935973.7 110196209.9 134888242.6 187397216.9 143465409.6 210992014.5 UDP.GlcNAc 58167433.51 49011720.68 62089749.04 5397532.192 7714556.557 6474989.978 59830167.37 49105446.99 74689995.44 15573945.65 15264724.82 15879326.31 64590545.2 53083582.4 53437076.2 6285974.593 7385748.606 5877095.068 45302040.32 39977731 53998444.91 78090578.01 94260182.03 102445926.9 40789702.18 45366079.26 35301976.33 96690515.61 89791312.09 75691529.15 55779644.79 52471099.02 53184518.32 92533722.9 97148235.65 98764641.37 32845275.64 38572737.26 33989483.19 65416823.05 76620907.56 80390975.82 UDP.hexose 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 61272395.76 74848324.11 78396418.66 47963700.42 49526174.41 37535417.51 91652395.42 92702046.77 74106739.75 56939935.33 59755822.67 58383679.13 76157335.96 74142291.97 70451308.11 39614958.43 45995112.56 39402816.53 58625717.57 75796276.68 67582278.13 UDP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8498019.947 9505740.578 10584143.6 8450072.05 8731384.605 6426854.762 9909069.384 9949546.878 8096618.085 8391776.253 9183963.042 9093270.044 10585199.39 9090104.04 8628140.636 6782635.728 8313234.888 7599058.765 6690598.725 8824025.004 8435584.404 UMP 1405131.528 1136865.063 878899.0584 413372.0241 522851.1181 528397.4558 1448582.291 1549329.565 1901630.902 2059763.48 1454544.181 1732894.27 1062890.27 1493373.836 1438913.902 528687.2813 561510.4007 431666.9673 926990.8609 811710.5352 913877.7755 1253647.286 1573226.292 1647272.641 2408731.228 2483312.184 2038483.45 925377.3399 1360517.436 1338215.296 2717189.932 3344649.925 3062474.912 1539391.354 1021609.935 690039.1244 2062760.865 2113689.704 2216126.349 1157472.543 1571979.872 1361186.271 Ureidosuccinic_acid 1407027.631 1710779.56 1712085.75 205576807.3 261304176.5 282700870.3 753358.4396 1573206.219 1203166.073 70462864.65 91591098.11 60742514.65 3099721.376 1826541.683 2147295.673 299154834.6 153134857.3 102484948.7 392566.3436 585185.2252 438247.9278 10624191.17 12368514.51 13448873.37 182224035.7 183805153.1 145454190.3 12145506.6 12937373.62 11399817.04 94319033.84 102644053.5 98385015.76 14185589.69 12738945.63 12309923.94 162655324.5 188145629.3 163731211.9 18186209.98 21673656.91 20245674.78 UTP 28217238.43 28929249.29 39064719.82 4954875.943 3954002.24 3498189.887 46946489.32 105295937.6 61977710.91 16627910.5 19873949.87 15820905.77 78856987.06 28223362.41 45369774.86 5637950.637 3743025.594 3697652.252 27019549.12 25328652.03 23959414.24 70076763.35 70453649.02 71433932.18 47306020.54 50600197.62 41532010.63 105236139.5 114562786.5 86482572.89 67282837.16 82353296 78849733.28 82482236.21 76883014.29 78114707.96 41460445.12 52642409.78 46991895.19 60140078.46 80867584.63 71107048.37 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 2.hydroxyglutarate 2.oxobutyric_acid 3.phosphoglycerate 3.ureidopropionate Acetyl.CoA acetylcarnitine acetylglutamate acetylserine adenine ADP AICAR alanine AMP arginine argininosuccinate asparagine aspartate asymmetric.dimethylarginine (ADMA) ATP beta.alanine Butyrylcarnitine carnitine CDP citrate CMP creatine CTP cystathionine D.RIBOSE.5.PHOSPHATE dihydroorotate dihydroxyacetone_phosphate Fructose-6-phosphate/Glucose-1-phosphate/Glucose-6-phosphate Fructose.1.6.bisphosphate fumarate gamma.aminobutyric_acid GDP Glucose.6.phosphate glutamate glutamine Glycerol.3.Phosphate Glycerophosphocholine glycine GMP GSH_Ellmans GSSG GTP guanine histidine guanidinoacetate hypotaurine hypoxanthine IMP isoleucine Itaconic.Acid leucine lysine malate Methionine.sulfoxide methionine methylthioadenosine myo.inositol N.acetylglutamine NAD NADH NADP NADPH niacinamide ornithine palmitate phosphocreatine phosphocholine phosphoenolpyruvate phosphoethanolamine proline Pyridoxine quinolinic_acid S.Adenosyl.L.Homocysteine S.Adenosyl.L.methionine saccharopine sarcosine Sedoheptulose.7.phosphate serine succinate taurine threonine tryptophan tyrosine UDP.GlcNAc UDP.hexose UDP UMP Ureidosuccinic_acid UTP METABOLITES_END #END