#METABOLOMICS WORKBENCH alanyl_20251204_063247 DATATRACK_ID:6835 STUDY_ID:ST004463 ANALYSIS_ID:AN007480 PROJECT_ID:PR002390 VERSION 1 CREATED_ON December 17, 2025, 2:40 pm #PROJECT PR:PROJECT_TITLE In vivo CRISPR screen identifies copper metabolism as a vulnerability in acute PR:PROJECT_TITLE lymphoblastic leukemia PR:PROJECT_SUMMARY The nutrient-sparse cerebrospinal fluid (CSF) poses a significant challenge to PR:PROJECT_SUMMARY spreading cancer cells. Despite this challenge, leukemia often spreads to the PR:PROJECT_SUMMARY CSF and represents a significant clinical complication. To uncover nutritional PR:PROJECT_SUMMARY dependencies of leukemia cells in the CSF that could be targeted PR:PROJECT_SUMMARY therapeutically, we conducted an in vivo targeted CRISPR screen in a xenograft PR:PROJECT_SUMMARY model of leukemia. We found that SLC31A1, the primary cell surface copper PR:PROJECT_SUMMARY importer, is a genetic dependency of leukemia in both the central nervous system PR:PROJECT_SUMMARY as well as in the hematopoietic organs. Perturbation of copper metabolism leads PR:PROJECT_SUMMARY to complex IV deficiency, perturbed nucleotide metabolism and slowed leukemia PR:PROJECT_SUMMARY cell proliferation. Furthermore, nutritional copper depletion reduced cancer PR:PROJECT_SUMMARY progression in cell line based and patient-derived xenograft models of leukemia. PR:PROJECT_SUMMARY Copper thus appears to be an actionable micronutrient in leukemia. PR:INSTITUTE Boston Children's Hospital PR:DEPARTMENT Pathology PR:LABORATORY Naama Kanarek PR:LAST_NAME Wong PR:FIRST_NAME Alan PR:ADDRESS 300 Longwood Avenue, Boston, MA, 02115, USA PR:EMAIL alan.wong@childrens.harvard.edu PR:PHONE (617) 355-7433 PR:FUNDING_SOURCE NCI 1R01CA282477-01A1 #STUDY ST:STUDY_TITLE Polar metabolite profiling of SEM or NALM6 cells treated with BCS, 6-MP, MTX, ST:STUDY_TITLE ADDA 5, or a combination, with concurrent 15N-amide-glutamine tracing 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). For four hours prior to ST:STUDY_SUMMARY harvest, cells were cultured in media containing 15N-amide glutamine. This ST:STUDY_SUMMARY experiment revealed distinct changes in nucleotide synthesis following each ST:STUDY_SUMMARY 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 ST:NUM_GROUPS 8 #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_AYW1571 Sample source:SEM leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1571.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1572 Sample source:SEM leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1572.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1573 Sample source:SEM leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1573.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1574 Sample source:SEM leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1574.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1575 Sample source:SEM leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1575.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1576 Sample source:SEM leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1576.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1577 Sample source:SEM leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1577.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1578 Sample source:SEM leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1578.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1579 Sample source:SEM leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1579.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1580 Sample source:SEM leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1580.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1581 Sample source:SEM leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1581.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1582 Sample source:SEM leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1582.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1583 Sample source:SEM leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1583.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1584 Sample source:SEM leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1584.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1585 Sample source:SEM leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1585.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1586 Sample source:SEM leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1586.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1587 Sample source:SEM leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1587.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1588 Sample source:SEM leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1588.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1589 Sample source:SEM leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1589.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1590 Sample source:SEM leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1590.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1591 Sample source:SEM leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1591.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1619 Sample source:NALM6 leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1619.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1620 Sample source:NALM6 leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1620.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1621 Sample source:NALM6 leukemia cells | treatment:Vehicle RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1621.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1622 Sample source:NALM6 leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1622.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1623 Sample source:NALM6 leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1623.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1624 Sample source:NALM6 leukemia cells | treatment:BCS RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1624.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1625 Sample source:NALM6 leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1625.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1626 Sample source:NALM6 leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1626.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1627 Sample source:NALM6 leukemia cells | treatment:6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1627.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1628 Sample source:NALM6 leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1628.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1629 Sample source:NALM6 leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1629.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1630 Sample source:NALM6 leukemia cells | treatment:BCS+6MP RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1630.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1631 Sample source:NALM6 leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1631.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1632 Sample source:NALM6 leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1632.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1633 Sample source:NALM6 leukemia cells | treatment:MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1633.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1634 Sample source:NALM6 leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1634.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1635 Sample source:NALM6 leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1635.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1636 Sample source:NALM6 leukemia cells | treatment:BCS+MTX RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1636.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1637 Sample source:NALM6 leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1637.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1638 Sample source:NALM6 leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1638.raw SUBJECT_SAMPLE_FACTORS - 20250912_QE2_HILIC_drugtrac_AYW1639 Sample source:NALM6 leukemia cells | treatment:ADDA5 RAW_FILE_NAME(raw file name)=20250912_QE2_HILIC_drugtrac_AYW1639.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. During the period of glutamine tracing, cells were seeded in glutamine-free CO:COLLECTION_SUMMARY RPMI-1640 with 10% dialyzed FBS and penicillin/streptomycin, and 15N-amide CO:COLLECTION_SUMMARY glutamine added back at 2mM. CO:SAMPLE_TYPE Leukemia cells #TREATMENT TR:TREATMENT_SUMMARY Culture of SEM of NALM6 cells for 8 or 6 days respectively in RPMI-1640 media TR:TREATMENT_SUMMARY with 10% FBS and penicillin/streptomycin with vehicle or 50uM TR:TREATMENT_SUMMARY bathocuproinedisulfonic acid (BCS). 24 hours prior to harvest, cells were seeded TR:TREATMENT_SUMMARY in glutamine-free RPMI-1640 with unlabelled glutamine added back at 2mM, and TR:TREATMENT_SUMMARY supplemented with 10% dialyzed FBS and penicillin-streptomycin. At the same time TR:TREATMENT_SUMMARY as this media change, cells were also treated with vehicle, 6-mercaptopurine TR:TREATMENT_SUMMARY (6-MP) (500nM), methotrexate (MTX, 5nM), or ADDA 5 (a complex IV inhibitor, TR:TREATMENT_SUMMARY 10uM) for 24 hours. 4-hours prior to harvest, media was changed to RPMI-1640 TR:TREATMENT_SUMMARY with 10% dialyzed FBS and labelled 15N-amide-glutamine at RPMI-1640 levels TR:TREATMENT_SUMMARY (2mM). Amino acid tracing was performed for 4 hours. #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 0-20 min: linear gradient from 16.6% to 83.4% B; 20-24 min: hold at 83.4% B; CH:CHROMATOGRAPHY_SUMMARY 24-24.1 min: from 83.4% to 16.6% B; 24.1-32 min: hold at 20% B at 0.150 mL/min CH:CHROMATOGRAPHY_SUMMARY flow rate. The column oven and autosampler tray were held at 25 °C and 4 °C, CH:CHROMATOGRAPHY_SUMMARY respectively. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME 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 0-20 min: linear gradient from 16.6% to 83.4% B; 20-24 min: hold at 83.4% B; CH:FLOW_GRADIENT 24-24.1 min: from 83.4% to 16.6% B; 24.1-32 min: hold at 20% B at 0.150 mL/min CH:FLOW_GRADIENT flow rate. The column oven and autosampler tray were held at 25 °C and 4 °C, CH:FLOW_GRADIENT respectively. 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. A third scan in the MS:MS_COMMENTS negative mode was used with range of m/z = 220-700 from 0-20 minutes and the MS:MS_COMMENTS same resolution, AGC settings with 30ms Max IT. Lastly, a targeted-SIM scan was MS:MS_COMMENTS added with a resolution of 35k, AGC target 1e5, and max IT 20ms, isolation MS:MS_COMMENTS window = 1.0 m/z, with an inclusion m/z of 503.0552 (corresponding to MS:MS_COMMENTS Ellman-derivatized glutathione). Tune file parameters were: spray voltage = MS:MS_COMMENTS 3.5kV, capillary temperature = 320C, S-lens RF = 50, auxillary gas temperature = MS:MS_COMMENTS 350C. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 20250912_QE2_HILIC_drugtrac_AYW1571 20250912_QE2_HILIC_drugtrac_AYW1572 20250912_QE2_HILIC_drugtrac_AYW1573 20250912_QE2_HILIC_drugtrac_AYW1574 20250912_QE2_HILIC_drugtrac_AYW1575 20250912_QE2_HILIC_drugtrac_AYW1576 20250912_QE2_HILIC_drugtrac_AYW1577 20250912_QE2_HILIC_drugtrac_AYW1578 20250912_QE2_HILIC_drugtrac_AYW1579 20250912_QE2_HILIC_drugtrac_AYW1580 20250912_QE2_HILIC_drugtrac_AYW1581 20250912_QE2_HILIC_drugtrac_AYW1582 20250912_QE2_HILIC_drugtrac_AYW1583 20250912_QE2_HILIC_drugtrac_AYW1584 20250912_QE2_HILIC_drugtrac_AYW1585 20250912_QE2_HILIC_drugtrac_AYW1586 20250912_QE2_HILIC_drugtrac_AYW1587 20250912_QE2_HILIC_drugtrac_AYW1588 20250912_QE2_HILIC_drugtrac_AYW1589 20250912_QE2_HILIC_drugtrac_AYW1590 20250912_QE2_HILIC_drugtrac_AYW1591 20250912_QE2_HILIC_drugtrac_AYW1619 20250912_QE2_HILIC_drugtrac_AYW1620 20250912_QE2_HILIC_drugtrac_AYW1621 20250912_QE2_HILIC_drugtrac_AYW1622 20250912_QE2_HILIC_drugtrac_AYW1623 20250912_QE2_HILIC_drugtrac_AYW1624 20250912_QE2_HILIC_drugtrac_AYW1625 20250912_QE2_HILIC_drugtrac_AYW1626 20250912_QE2_HILIC_drugtrac_AYW1627 20250912_QE2_HILIC_drugtrac_AYW1628 20250912_QE2_HILIC_drugtrac_AYW1629 20250912_QE2_HILIC_drugtrac_AYW1630 20250912_QE2_HILIC_drugtrac_AYW1631 20250912_QE2_HILIC_drugtrac_AYW1632 20250912_QE2_HILIC_drugtrac_AYW1633 20250912_QE2_HILIC_drugtrac_AYW1634 20250912_QE2_HILIC_drugtrac_AYW1635 20250912_QE2_HILIC_drugtrac_AYW1636 20250912_QE2_HILIC_drugtrac_AYW1637 20250912_QE2_HILIC_drugtrac_AYW1638 20250912_QE2_HILIC_drugtrac_AYW1639 Factors 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 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 ADP_N0 28145734 28469172 28829219 31171045 42282807 39211002 21746057 21287007 20243180 20332548 24409872 21251862 26819704 31434585 27791707 40487055 38956515 39631623 32035697 32334595 34776744 19811966 18100572 19340400 61877898 59651802 57007211 14100307 12627017 11682410 26480749 23348624 24241412 16799886 18352055 17887451 52727386 49651150 50363171 17166779 16211372 17371231 ADP_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP_N2 15422231 15087471 15809575 14999012 20153636 18679417 9288544 8988159 8302541 5806607 7204520 6176961 14241058 16342358 13928127 17251146 16594715 16996719 15797415 16178398 17052049 21832055 20267041 21622302 12280052 11785781 11086069 15049282 13658236 12570581 1249453 1174436 1245915 19220066 20205590 20350822 9471919 8817655 8816559 16754144 15563192 17237451 ADP_N3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AICAR_N0 73030 93920 42979 136256 117275 135492 71557 18801 47798 76670 141195 82670 152258 237200 209822 339540 315310 298734 50584 0 91536 22836 53444 41700 475421 475352 388490 39048 13834 80673 167489 157429 294811 268950 282179 277810 1361610 1201863 1249288 96781 177671 51096 AICAR_N1 0 0 0 43366 38208 0 0 8091 13192 0 15799 7568 20365 10859 71243 70757 116472 77182 9123 8769 10795 11554 8750 16953 164222 125085 162389 93308 87652 70247 11781 0 13305 63627 49220 74526 115750 201427 194921 9884 0 0 AICAR_N2 65112 62355 46681 135863 127122 240744 72590 56935 94433 144710 77224 91798 298268 270907 452456 1314577 1798773 1503052 64724 112569 46071 246087 198143 287148 1733411 1732543 1618300 1753193 1694142 1684813 211615 100186 50750 1309614 1361371 1525362 2903780 2500728 2689797 35863 67151 106887 AICAR_N3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AMP_N0 3549738 3460372 3767775 2216252 9045379 8048789 3280960 3833616 3265387 5603763 6035204 6084946 3330081 3940254 3651721 8223508 8398301 8925183 4237269 2801928 5407951 4818730 4734068 5013661 17322701 17275819 16682702 3678118 3437015 3278930 8595731 7837046 7963684 5033895 5173096 5364913 15886498 15685198 14954151 5086592 4601005 4977204 AMP_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AMP_N2 1778297 1476192 1708863 865509 3560653 3300219 1017197 1142799 1097260 1334192 1462325 1545847 1370164 1875460 1368609 2812643 3124009 2973657 1859557 1179514 2126163 5238154 4951780 5751103 2683405 2545228 2378981 3609804 3361192 3394764 513465 439164 535018 5465462 5557117 5612184 2444147 2191665 2136610 4669515 4801239 4469743 AMP_N3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ATP_N0 158504683 172753460 156263496 181019110 192209810 211738582 145363343 136257250 200638209 95102898 137990184 91622477 191010929 326375185 160835513 180111495 185667326 180733106 211475768 187549418 184772633 134576807 142681113 152198355 260963394 244843968 243602314 109944888 90070819 78598901 47011167 42745981 48244884 127645844 152350077 134046034 220028609 234283681 222959272 139591188 128256011 143071962 ATP_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ATP_N2 77324121 87146658 76885121 84624711 88908120 98772168 56734098 53377589 78276183 29887938 42080581 28973528 91869037 154242806 77157782 75565035 78732771 75377382 94965941 84448985 81945377 153691453 160620843 169554357 52235905 49371564 47682706 114176990 92838092 81394858 2760455 2788284 3252112 142077757 171862023 151823631 39810531 42892740 39506450 136608862 126961725 142138007 ATP_N3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP_N0 953662 978537 888489 1166426 1288605 1171708 1089308 1123332 1008482 1245320 1421466 1337701 870131 963369 1010536 1082223 1001759 1111983 1057453 974599 1102434 833641 696553 782106 767387 722731 701694 880321 1027546 804327 1507895 1289816 1510330 663256 804982 670423 708176 624090 682074 582326 632693 625062 CDP_N1 687235 680946 772387 1217382 1175284 1074952 706056 775391 723820 820016 880136 853319 710541 903286 843868 1048040 941781 1129653 770516 751914 933150 714161 637187 698031 323560 280602 272465 910887 891643 828018 509357 487897 473330 559221 630108 560284 211435 190756 266669 431376 420074 420458 CDP_N2 930993 977465 931399 781673 739625 574119 571424 522365 591359 38335 203678 64083 743570 969034 876456 539088 552589 576785 824544 878107 945540 1497811 1348533 1432878 8234 9058 0 1230147 1256821 1149740 0 0 0 1152764 1339219 1265647 12550 15187 34457 877834 766858 835605 CDP_N3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CTP_N0 6877745 7307450 6579374 6272640 6462201 7372380 10389882 10592830 14455252 8817774 13179768 8730167 8483482 13057021 6948558 6325836 6488533 6182730 8943107 7627655 7788340 8175301 9036797 9470893 3985302 3808436 3530710 15455705 13293075 11313044 10712540 9737066 10767565 8242504 9518276 8572421 3522751 3630584 3335351 7706295 6813351 7940947 CTP_N1 4665963 4670118 4227143 5063550 5134609 5754438 5545598 5426622 6548287 4179651 5941674 4057942 5786907 8141558 4407472 4994795 4932842 4738509 5333698 4343318 4495673 5931681 6514460 6677482 1563581 1448593 1380547 10859872 8944108 7944138 2847544 2432088 2645065 5801432 6835635 6249504 1252894 1444506 1274801 4817877 4221865 4781618 CTP_N2 4829843 5047153 4243601 2876633 2750743 3202898 3976622 3992834 4878486 1516695 1911084 1129265 5246539 7286180 4427088 2564238 2678175 2603960 4663966 4474593 4189287 12309518 13473363 14294472 663002 734417 613770 15802062 13451831 11833504 15216 155762 212805 12193800 13970972 13425214 609753 631415 561322 9732800 8579485 9186159 dihydroorotate_N0 254496 717818 793054 8858085 13567698 15468924 607041 580837 614552 5873751 6860813 6202588 759499 699552 797648 14186272 13516922 12803129 1115258 575175 239700 73573 0 21663 4795206 13438635 13256492 0 0 32862 1100106 3489345 2366070 0 23949 0 14231288 6399501 3554173 0 0 9568 dihydroorotate_N1 604271 899878 661753 11095931 17989452 18348825 692806 539289 598664 5873053 6811855 5960897 833518 679702 657203 16746253 17965134 17248897 1118219 694660 323814 0 0 10260 9429134 24826224 24106459 0 0 0 1767053 5951470 4379925 0 36224 0 27959278 12668333 6467307 0 0 0 dihydroorotate_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_N0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1213766 0 0 0 0 0 0 0 0 0 0 0 dTMP_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3167989 0 0 0 0 0 0 0 0 0 0 0 dUMP_N0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dUMP_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dUMP_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GAR_N0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GAR_N1 0 0 0 0 6541 0 0 0 0 0 0 0 104609 63449 170779 466532 302616 418618 0 0 0 0 4913 0 22916 33650 0 0 0 5060 4849 0 0 188291 209086 253913 711019 590278 620195 0 0 0 GAR_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP_N0 2018265 1997167 1904410 3785701 3711690 3413093 2090694 2087465 2048448 2619435 3003744 2639859 1953169 2301839 2137667 3405837 3462343 3762595 2642368 2637691 2772660 1778348 1731577 1888078 8158399 8052123 7397075 1483641 1429867 1257475 5254807 4853010 5078241 1695364 1687332 1700800 6878886 6816720 6747143 1717527 1702910 1819384 GDP_N1 8412864 8429781 7935575 8242441 8062379 8579582 8567139 7574152 9350534 7050253 9315930 7200332 7616343 10205706 6661829 8016724 7379670 7786463 8133570 8804368 9253894 8665055 8985136 8457067 11043800 9244535 9890953 9288496 8389015 7168119 8926072 8221581 8537264 8957266 10248708 9473808 10225611 10355894 10679792 9347398 8537878 9702336 GDP_N2 260099 186217 196271 341272 195206 258345 216825 311562 203248 160982 215878 82859 239069 231891 364080 234397 143964 206896 246618 357673 358320 480181 349755 493626 179680 288028 268476 395607 435827 297845 192036 200210 215745 379469 365903 321183 51239 338912 160729 185129 338646 385140 GDP_N3 1859784 1753189 1848280 2128571 2147759 1743934 1361943 1104228 993662 864668 982027 813576 1738065 1854292 1858861 1801647 1770035 1991052 2014613 1807562 2231026 2781234 2726027 2851800 1844716 1630711 1494705 1726570 1620139 1490535 333471 268098 327212 2349347 2538773 2705476 1236047 1237198 1223438 2143554 2076786 2301418 GDP_N4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glutamine0 131770691 137991038 123526723 43662997 127591139 126011051 127780332 127498899 120563052 98067205 114105872 95899853 137506125 149377309 137662921 108847820 115053456 110331868 122887121 122990030 126839410 120591391 115408641 120810841 157211159 143034756 149164344 121725477 113138364 108266460 121283212 113773824 119009348 112178040 118400610 116871340 156601759 157124505 168111914 104565910 102570095 109687163 glutamine1 5956219471 6222812323 5622717560 2049627819 6150847001 6254609169 6357204033 6037478758 6034609788 5369329375 6347546700 5480756033 5749464534 6563179580 5780844676 5696066656 6125491913 5865766974 5629817549 5637674604 5757512074 5847838097 6041795722 6098930648 7396168978 6782629518 6813057353 6156513819 5786208720 5580583210 5933034698 5731347366 5875128595 5692010531 6192149241 5986070865 6664108941 6401643367 6848990485 5142637278 4998540362 5212897088 glutamine2 31765013 31907341 30703335 12781102 31866366 29270342 36688233 28962154 34101082 25355930 40841374 26993679 34224872 35383545 23839408 27707279 33471647 29085372 31990793 28026273 29020789 32539298 31077648 30241214 32960570 33732450 33560743 32597783 30264370 26140136 31451413 29841844 30548399 23015047 24645655 24921009 26332563 27342390 26979685 21267669 23564880 25950956 GMP_N0 569075 667034 592775 931402 987673 925893 627049 609861 628773 1054445 953189 916889 468581 572723 346281 865848 901760 917658 638356 658630 565799 468674 437207 460021 5503886 5522529 5419975 401546 337725 246463 6440417 6524825 6643023 527834 905264 737945 4805713 4798255 5406693 615438 525084 434343 GMP_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 232915 276234 146657 5622 0 0 GMP_N2 402552 367766 480289 392235 369441 295104 366925 252709 328132 353390 454375 366182 365886 415297 356487 360073 439915 328002 373914 541154 593216 242205 341455 637523 471191 458205 430756 511988 371126 477411 394595 307087 406557 764290 778802 963493 798073 565019 891170 492737 483752 526708 GMP_N3 56967 42700 53822 356606 210453 122398 35852 35664 14059 86537 67834 65325 22960 36386 144000 154574 164523 207219 57918 65138 115612 340352 194254 287371 471437 387095 416199 52751 36850 20350 61325 0 42592 173777 307208 309102 310776 327694 279196 151030 128835 183359 GMP_N4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GTP_N0 7321827 8189957 7027909 12151512 12572969 13231478 8355219 8822768 12603827 9843273 14006125 8932811 8771359 14730732 7638545 11597775 12200011 12407313 10775084 10029778 9735445 8398614 9444402 9419418 35541551 34287882 32858529 7332763 6024718 5387721 15926368 14824707 15940949 8615414 9824254 9365993 29297557 31085308 28860453 9780794 8711103 9665263 GTP_N1 1192532 1353004 1118723 3924352 4096223 4269117 1097530 1186580 1697301 2018855 2925021 1864984 1414901 2425655 1200027 3549024 3647669 3772049 1886850 1806276 1685321 920097 1124066 1061497 7198302 7116834 6753924 388641 518819 435377 1487377 1217399 1659822 846995 1107150 1004346 5984297 6326141 5699085 917159 859251 991368 GTP_N2 519771 504093 430510 459274 423509 462949 256157 351202 420048 29026 14931 24322 739809 1083981 564089 338847 290787 218408 646793 581716 575836 1239303 1361693 1383311 23667 18092 37270 774977 675889 545087 6081 0 0 1662656 1789325 1738052 48989 83964 25414 1298813 1196847 1328677 GTP_N3 6754874 7411231 6251721 7010062 7138909 7237291 5353211 5721659 8061108 3728808 4967210 3304264 8192394 14132311 8004737 6830291 7070611 7226727 8679297 7486664 7510764 15489021 17089448 17263155 8210428 7975833 7509773 9985832 8403776 6850392 1095624 1068869 1159772 14811006 18106394 16221620 6492772 6548179 5825553 14940068 13887392 14891392 GTP_N4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_N0 0 0 0 404335 276332 365281 0 0 25688 89149 71136 342979 0 0 0 479184 96945 324434 0 29626 51796 0 0 0 19430628 19579782 19048530 0 0 0 3374204 3074118 3294774 374341 0 0 23814340 19656749 22204406 0 0 0 IMP_N1 0 0 0 20198 0 0 0 0 0 0 0 0 0 0 0 0 77584 0 0 0 0 0 0 0 1513883 1075934 721404 0 174268 0 0 0 0 0 0 0 1755889 1611788 1918571 65727 88259 0 IMP_N2 0 0 0 47614 0 96110 0 0 0 0 0 0 0 0 0 127998 390857 0 0 0 0 0 0 0 44025478 41516156 40728620 129586 84244 0 0 0 0 2147123 1975907 2086346 51591652 44034200 46605872 2758947 270040 0 IMP_N3 993593 927270 454734 1064633 1788229 1217999 1261879 1059176 2070830 1783836 1517064 697668 1396312 1435603 1901858 822957 1301134 1509344 2163834 784160 645267 956823 1256432 1289777 0 0 0 1144298 1252394 1680964 2271285 1077113 2288424 0 0 0 0 0 0 0 208168 772009 orotate_N0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 orotate_N1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 orotate_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UDP_N0 2434399 2245573 2516975 4637800 4500893 3919949 3218853 3373294 3315412 4879018 5442541 5129825 2264501 2851294 2722838 3908827 4014005 4460964 2981322 2980344 2973137 1923230 1402058 1858780 1623357 1451324 1473747 2935985 2766951 2767464 4881040 4607649 5025316 1447718 1537618 1527833 1374182 1188048 1300807 1150372 1177788 1303219 UDP_N1 4364193 4052850 4543282 4117200 4454825 3969554 4079325 3848355 3782459 3072986 3407015 3120993 3988588 4836311 4306848 3613178 3585471 4107354 4378709 4375192 4615434 6543081 5093336 6167054 1476965 1317830 1420566 8795191 8508644 7909467 2500208 2303595 2493657 5089159 5688657 5319123 1199711 1096592 1176317 3912666 3781904 4188078 UDP_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UMP_N0 348709 357605 394165 761607 1147242 990969 590020 608181 515321 1405275 1662474 1426553 398317 463962 414276 976926 987601 1062918 475681 467991 478341 514322 500513 517409 828629 836346 816750 916770 866544 853419 2160634 2072327 2100491 414116 499136 461329 758857 683795 747932 322776 332621 356422 UMP_N1 589982 454609 557307 620975 862096 852467 509087 471125 472712 690147 848310 786955 522459 631492 570835 725012 770951 826044 638054 611209 628846 1825350 1639661 1864459 477426 521735 491848 2562518 2647713 2468987 790093 757664 772226 1553873 1658714 1668944 395234 346174 352788 1164693 1124296 1125477 UMP_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ureidosuccinic_acid_N0 3782569 3877440 3287326 92620729 89758191 89122982 4579483 4309147 4188500 42614614 50069605 40810267 4055929 4811801 3736755 82071307 87899226 86630386 6181338 6262542 6929860 0 0 0 90811860 88387782 88787057 0 0 0 27891881 24629759 25577178 0 0 0 84132669 83918725 89066980 0 0 0 Ureidosuccinic_acid_N1 5193546 5941543 4993823 126354811 122993913 117865592 5124966 4874259 4965058 45202226 52871408 41600649 5807976 7016681 6087400 114403766 122320585 121969945 10130399 10309515 9698596 1306727 1104286 1617822 193059421 188428968 189798023 540772 495910 494592 63085277 56856335 58751666 1137457 1517378 1040958 178016920 172729673 181753612 728329 754085 684565 Ureidosuccinic_acid_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UTP_N0 21299217 22525142 20898821 26346886 29075411 30052883 38796104 39379920 52398250 38882437 59622608 38606818 27736784 40544608 24071799 26674722 27171023 26322564 26832524 23508593 24874634 22654864 24171645 25718649 9210700 9183913 8622394 58000377 49402667 42102799 35072452 33036772 36943341 21611868 25782539 22705165 7649055 7978954 7550321 20631891 18903714 19967371 UTP_N1 37788952 40406382 38280764 26665322 28971497 30235572 50284498 50175375 65619193 28849087 42767683 29198552 42919799 67157314 38682634 25525309 26057755 27051726 44178723 37637326 38079113 87689638 89390846 95170882 9198827 8839069 8881348 172262972 149332676 130623898 19852794 17971292 20078206 78940799 93232433 84759443 8311598 8178671 7684775 73827272 64968934 71121751 UTP_N2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name ADP_N0 ADP_N1 ADP_N2 ADP_N3 AICAR_N0 AICAR_N1 AICAR_N2 AICAR_N3 AMP_N0 AMP_N1 AMP_N2 AMP_N3 ATP_N0 ATP_N1 ATP_N2 ATP_N3 CDP_N0 CDP_N1 CDP_N2 CDP_N3 CTP_N0 CTP_N1 CTP_N2 dihydroorotate_N0 dihydroorotate_N1 dihydroorotate_N2 dTMP_N0 dTMP_N1 dTMP_N2 dUMP_N0 dUMP_N1 dUMP_N2 GAR_N0 GAR_N1 GAR_N2 GDP_N0 GDP_N1 GDP_N2 GDP_N3 GDP_N4 glutamine0 glutamine1 glutamine2 GMP_N0 GMP_N1 GMP_N2 GMP_N3 GMP_N4 GTP_N0 GTP_N1 GTP_N2 GTP_N3 GTP_N4 IMP_N0 IMP_N1 IMP_N2 IMP_N3 orotate_N0 orotate_N1 orotate_N2 UDP_N0 UDP_N1 UDP_N2 UMP_N0 UMP_N1 UMP_N2 Ureidosuccinic_acid_N0 Ureidosuccinic_acid_N1 Ureidosuccinic_acid_N2 UTP_N0 UTP_N1 UTP_N2 METABOLITES_END #END