#METABOLOMICS WORKBENCH yifanzhang320_20250831_010435 DATATRACK_ID:6353 STUDY_ID:ST004160 ANALYSIS_ID:AN006904 PROJECT_ID:PR002621 VERSION 1 CREATED_ON 09-07-2025 #PROJECT PR:PROJECT_TITLE Cytosolic Acetyl-Coenzyme A is a signaling metabolite to control mitophagy PR:PROJECT_SUMMARY Acetyl-Coenzyme A (AcCoA) sits at the nexus of nutrient metabolism and shuttles PR:PROJECT_SUMMARY between the canonical and non-canonical tricarboxylic acid cycle (TCA ) cycle, PR:PROJECT_SUMMARY which is dynamically regulated by nutritional status, such as fasting. We found PR:PROJECT_SUMMARY that reducing cytosolic acetyl-CoA levels triggers mitophagy by short-term PR:PROJECT_SUMMARY fasting, and ATP-Citrate Lyase (ACLY), mitochondrial citrate/malate antiporter PR:PROJECT_SUMMARY (SLC25A1) or acyl-CoA synthetase short chain family member 2 (ACSS2) inhibition, PR:PROJECT_SUMMARY which can be counteracted by acetate supplementation. Interestingly, NOD-like PR:PROJECT_SUMMARY receptor family member X1 (NLRX1) is identified to mediate this effect. PR:PROJECT_SUMMARY Disrupting NLRX1 abrogates cytosolic AcCoA reduction-induced mitophagy both in PR:PROJECT_SUMMARY vitro and in vivo. Mechanically, the mitochondria outer membrane-localized NLRX1 PR:PROJECT_SUMMARY directly binds to cytosolic AcCoA within a conserved pocket on its leucine-rich PR:PROJECT_SUMMARY repeat (LRR) domain. In addition, AcCoA binds to the LRR domain and enhances its PR:PROJECT_SUMMARY interaction with the nucleotide-binding and oligomerization (NACHT) domain, PR:PROJECT_SUMMARY which helps to maintain NLRX1 in an auto-inhibited state and prevents the PR:PROJECT_SUMMARY association between NLRX1 and light chain 3 (LC3). Furthermore, we discover that PR:PROJECT_SUMMARY the AcCoA-NLRX1 axis underlies KRAS inhibitor-induced mitophagy response and PR:PROJECT_SUMMARY promotes drug resistance, providing a metabolic mechanism of KRAS inhibitor PR:PROJECT_SUMMARY resistance. Collectively, cytosolic AcCoA is a signaling metabolite connecting PR:PROJECT_SUMMARY metabolism to mitophagy through its receptor NLRX1. PR:INSTITUTE Fudan University PR:LAST_NAME Lei PR:FIRST_NAME Qun-ying PR:ADDRESS 131 Dongan Road, Shanghai, Shanghai, 200032, China PR:EMAIL qlei@fudan.edu.cn PR:PHONE +86 15026907226 PR:DOI http://dx.doi.org/10.21228/M8VK1W #STUDY ST:STUDY_TITLE Cytosolic Acetyl-Coenzyme A is a signaling metabolite to control mitophagy ST:STUDY_SUMMARY Acetyl-Coenzyme A (AcCoA) sits at the nexus of nutrient metabolism and shuttles ST:STUDY_SUMMARY between the canonical and non-canonical tricarboxylic acid cycle (TCA ) cycle, ST:STUDY_SUMMARY which is dynamically regulated by nutritional status, such as fasting. We found ST:STUDY_SUMMARY that reducing cytosolic acetyl-CoA levels triggers mitophagy by short-term ST:STUDY_SUMMARY fasting, and ATP-Citrate Lyase (ACLY), mitochondrial citrate/malate antiporter ST:STUDY_SUMMARY (SLC25A1) or acyl-CoA synthetase short chain family member 2 (ACSS2) inhibition, ST:STUDY_SUMMARY which can be counteracted by acetate supplementation. Interestingly, NOD-like ST:STUDY_SUMMARY receptor family member X1 (NLRX1) is identified to mediate this effect. ST:STUDY_SUMMARY Disrupting NLRX1 abrogates cytosolic AcCoA reduction-induced mitophagy both in ST:STUDY_SUMMARY vitro and in vivo. Mechanically, the mitochondria outer membrane-localized NLRX1 ST:STUDY_SUMMARY directly binds to cytosolic AcCoA within a conserved pocket on its leucine-rich ST:STUDY_SUMMARY repeat (LRR) domain. In addition, AcCoA binds to the LRR domain and enhances its ST:STUDY_SUMMARY interaction with the nucleotide-binding and oligomerization (NACHT) domain, ST:STUDY_SUMMARY which helps to maintain NLRX1 in an auto-inhibited state and prevents the ST:STUDY_SUMMARY association between NLRX1 and light chain 3 (LC3). Furthermore, we discover that ST:STUDY_SUMMARY the AcCoA-NLRX1 axis underlies KRAS inhibitor-induced mitophagy response and ST:STUDY_SUMMARY promotes drug resistance, providing a metabolic mechanism of KRAS inhibitor ST:STUDY_SUMMARY resistance. Collectively, cytosolic AcCoA is a signaling metabolite connecting ST:STUDY_SUMMARY metabolism to mitophagy through its receptor NLRX1. ST:INSTITUTE Fudan University ST:LAST_NAME Lei ST:FIRST_NAME Qun-ying ST:ADDRESS 131 Dongan Road, Shanghai, Shanghai, 200032, China ST:EMAIL qlei@fudan.edu.cn ST:PHONE +86 15026907226 ST:SUBMIT_DATE 2025-08-31 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female SU:CELL_BIOSOURCE_OR_SUPPLIER HeLa cell from cervical carcinoma; A549 cells from non-small cell lung cancer; SU:CELL_BIOSOURCE_OR_SUPPLIER MCF7 from breast cancer; U 2-OS from osteosarcoma. SU:CELL_STRAIN_DETAILS HeLa, MCF7, A549 and U 2-OS cells were cultured in DMEM supplemented with 10% SU:CELL_STRAIN_DETAILS Fetal Bovine Serum (FBS) and 1% Penicillin-Streptomycin (P/S) SU:CELL_STRAIN_DETAILS antibiotic-antimycotic solution. All cell lines are maintained in a humidified SU:CELL_STRAIN_DETAILS incubator at 37°C with 5% CO₂. Cells are routinely cultured in T-75 or T-175 SU:CELL_STRAIN_DETAILS flasks and are monitored daily under a microscope. Subculturing (passaging) is SU:CELL_STRAIN_DETAILS performed when cells reach 70-90% confluence to ensure optimal growth and SU:CELL_STRAIN_DETAILS prevent over-confluence. The standard procedure involves rinsing the cell SU:CELL_STRAIN_DETAILS monolayer with Dulbecco's Phosphate-Buffered Saline (DPBS) to remove residual SU:CELL_STRAIN_DETAILS serum and dead cells, followed by dissociation using 0.25% Trypsin-EDTA SU:CELL_STRAIN_DETAILS solution. Detachment is confirmed visually under a microscope, and the enzymatic SU:CELL_STRAIN_DETAILS reaction is halted by adding complete growth medium containing serum. The cell SU:CELL_STRAIN_DETAILS suspension is then centrifuged, resuspended in fresh medium, and seeded (split) SU:CELL_STRAIN_DETAILS into new culture vessels at an appropriate density. SU:CELL_PRIMARY_IMMORTALIZED Immortalized SU:SPECIES_GROUP Homo sapiens #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - A549_mock_1 Sample source:A549 | Treatment:Mock RAW_FILE_NAME(Raw file name)=7-1.mzML SUBJECT_SAMPLE_FACTORS - A549_mock_2 Sample source:A549 | Treatment:Mock RAW_FILE_NAME(Raw file name)=7-2.mzML SUBJECT_SAMPLE_FACTORS - A549_mock_3 Sample source:A549 | Treatment:Mock RAW_FILE_NAME(Raw file name)=7-3.mzML SUBJECT_SAMPLE_FACTORS - A549_mock_4 Sample source:A549 | Treatment:Mock RAW_FILE_NAME(Raw file name)=7-4.mzML SUBJECT_SAMPLE_FACTORS - A549_starv_1 Sample source:A549 | Treatment:Starv RAW_FILE_NAME(Raw file name)=8-1.mzML SUBJECT_SAMPLE_FACTORS - A549_starv_2 Sample source:A549 | Treatment:Starv RAW_FILE_NAME(Raw file name)=8-2.mzML SUBJECT_SAMPLE_FACTORS - A549_starv_3 Sample source:A549 | Treatment:Starv RAW_FILE_NAME(Raw file name)=8-3.mzML SUBJECT_SAMPLE_FACTORS - A549_starv_4 Sample source:A549 | Treatment:Starv RAW_FILE_NAME(Raw file name)=8-4.mzML SUBJECT_SAMPLE_FACTORS - HeLa_mock_1 Sample source:HeLa | Treatment:Mock RAW_FILE_NAME(Raw file name)=1-1.mzML SUBJECT_SAMPLE_FACTORS - HeLa_mock_2 Sample source:HeLa | Treatment:Mock RAW_FILE_NAME(Raw file name)=1-2.mzML SUBJECT_SAMPLE_FACTORS - HeLa_mock_3 Sample source:HeLa | Treatment:Mock RAW_FILE_NAME(Raw file name)=1-3.mzML SUBJECT_SAMPLE_FACTORS - HeLa_mock_4 Sample source:HeLa | Treatment:Mock RAW_FILE_NAME(Raw file name)=1-4.mzML SUBJECT_SAMPLE_FACTORS - HeLa_starv_1 Sample source:HeLa | Treatment:Starv RAW_FILE_NAME(Raw file name)=2-1.mzML SUBJECT_SAMPLE_FACTORS - HeLa_starv_2 Sample source:HeLa | Treatment:Starv RAW_FILE_NAME(Raw file name)=2-2.mzML SUBJECT_SAMPLE_FACTORS - HeLa_starv_3 Sample source:HeLa | Treatment:Starv RAW_FILE_NAME(Raw file name)=2-3.mzML SUBJECT_SAMPLE_FACTORS - HeLa_starv_4 Sample source:HeLa | Treatment:Starv RAW_FILE_NAME(Raw file name)=2-4.mzML SUBJECT_SAMPLE_FACTORS - MCF7_mock_1 Sample source:MCF7 | Treatment:Mock RAW_FILE_NAME(Raw file name)=5-1.mzML SUBJECT_SAMPLE_FACTORS - MCF7_mock_2 Sample source:MCF7 | Treatment:Mock RAW_FILE_NAME(Raw file name)=5-2.mzML SUBJECT_SAMPLE_FACTORS - MCF7_mock_3 Sample source:MCF7 | Treatment:Mock RAW_FILE_NAME(Raw file name)=5-3.mzML SUBJECT_SAMPLE_FACTORS - MCF7_mock_4 Sample source:MCF7 | Treatment:Mock RAW_FILE_NAME(Raw file name)=5-4.mzML SUBJECT_SAMPLE_FACTORS - MCF7_starv_1 Sample source:MCF7 | Treatment:Starv RAW_FILE_NAME(Raw file name)=6-1.mzML SUBJECT_SAMPLE_FACTORS - MCF7_starv_2 Sample source:MCF7 | Treatment:Starv RAW_FILE_NAME(Raw file name)=6-2.mzML SUBJECT_SAMPLE_FACTORS - MCF7_starv_3 Sample source:MCF7 | Treatment:Starv RAW_FILE_NAME(Raw file name)=6-3.mzML SUBJECT_SAMPLE_FACTORS - MCF7_starv_4 Sample source:MCF7 | Treatment:Starv RAW_FILE_NAME(Raw file name)=6-4.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_mock_1 Sample source:U-2_OS | Treatment:Mock RAW_FILE_NAME(Raw file name)=3-1.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_mock_2 Sample source:U-2_OS | Treatment:Mock RAW_FILE_NAME(Raw file name)=3-2.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_mock_3 Sample source:U-2_OS | Treatment:Mock RAW_FILE_NAME(Raw file name)=3-3.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_mock_4 Sample source:U-2_OS | Treatment:Mock RAW_FILE_NAME(Raw file name)=3-4.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_starv_1 Sample source:U-2_OS | Treatment:Starv RAW_FILE_NAME(Raw file name)=4-1.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_starv_2 Sample source:U-2_OS | Treatment:Starv RAW_FILE_NAME(Raw file name)=4-2.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_starv_3 Sample source:U-2_OS | Treatment:Starv RAW_FILE_NAME(Raw file name)=4-3.mzML SUBJECT_SAMPLE_FACTORS - U-2_OS_starv_4 Sample source:U-2_OS | Treatment:Starv RAW_FILE_NAME(Raw file name)=4-4.mzML #COLLECTION CO:COLLECTION_SUMMARY Cells were cultured in 10 cm dishes and treated with Starv for 16 hrs. When cell CO:COLLECTION_SUMMARY confluency was about 80-100%, the medium was removed, cells were washed with CO:COLLECTION_SUMMARY cold PBS twice, and collected in extraction buffer (acetonitrile: isopropanol: CO:COLLECTION_SUMMARY water, 3:3:2, v/v/v). CO:SAMPLE_TYPE Tumor cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Cells were cultured in 10 cm dishes and treated with mild starvation medium TR:TREATMENT_SUMMARY (DMEM with 5 mM glucose and 2 mM glutamine, 10% dialyzed serum) for 16 hrs. When TR:TREATMENT_SUMMARY cell confluency was about 80-100%, the medium was removed, cells were washed TR:TREATMENT_SUMMARY with cold PBS twice, and collected in extraction buffer (acetonitrile: TR:TREATMENT_SUMMARY isopropanol: water, 3:3:2, v/v/v). The control cells were described as Mock TR:TREATMENT_SUMMARY group and incubated in normal DMEM + 10% FBS medium. TR:CELL_STORAGE For long-term storage, cells from all three lines are cryopreserved in their TR:CELL_STORAGE respective complete growth media, supplemented with an additional 5-10% DMSO as TR:CELL_STORAGE a cryoprotectant. Cells are frozen slowly (using an isopropanol-filled #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The resuspended cells were placed in liquid Nitrogen for 5 min and thawed on ice SP:SAMPLEPREP_SUMMARY for 5 min and the freeze-thaw cycle was repeated four times and then SP:SAMPLEPREP_SUMMARY centrifugated (12,000 rpm, 4 °C, 10 min) to collect supernatants. Then the cell SP:SAMPLEPREP_SUMMARY supernatants were evaporated by freeze-vacuum and analyzed by gas SP:SAMPLEPREP_SUMMARY chromatography-mass spectrometry (GC-MS). #CHROMATOGRAPHY CH:INSTRUMENT_NAME Agilent 7890B CH:COLUMN_NAME Agilent DB5-MS (30m x 0.25mm, 0.25um) CH:COLUMN_TEMPERATURE started with 60 ℃ followed by a 10 ℃/min ramp to 300 ℃. Bake-out was at CH:COLUMN_TEMPERATURE 320 ℃. CH:FLOW_GRADIENT Not applicable CH:FLOW_RATE gas flow 1.2 ml/min CH:SOLVENT_A Not applicable CH:SOLVENT_B Not applicable CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 5977B MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:MS_COMMENTS 1 µL of each sample was injected and analyzed by Agilent 7890B-5977B GC-MS MS:MS_COMMENTS system with DB-5MS (0.25 mm internal diameter, 0.25 μm film, with 30 m empty MS:MS_COMMENTS column, Agilent J&W). Metabolites ratio of m/z were referred to previous MS:MS_COMMENTS studies. Each metabolite was quantified by the retention time and peak area by MS:MS_COMMENTS MassHunter Workstation (Agilent). MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples A549_mock_1 A549_mock_2 A549_mock_3 A549_mock_4 A549_starv_1 A549_starv_2 A549_starv_3 A549_starv_4 HeLa_mock_1 HeLa_mock_2 HeLa_mock_3 HeLa_mock_4 HeLa_starv_1 HeLa_starv_2 HeLa_starv_3 HeLa_starv_4 MCF7_mock_1 MCF7_mock_2 MCF7_mock_3 MCF7_mock_4 MCF7_starv_1 MCF7_starv_2 MCF7_starv_3 MCF7_starv_4 U-2_OS_mock_1 U-2_OS_mock_2 U-2_OS_mock_3 U-2_OS_mock_4 U-2_OS_starv_1 U-2_OS_starv_2 U-2_OS_starv_3 U-2_OS_starv_4 Factors Sample source:A549 | Treatment:Mock Sample source:A549 | Treatment:Mock Sample source:A549 | Treatment:Mock Sample source:A549 | Treatment:Mock Sample source:A549 | Treatment:Starv Sample source:A549 | Treatment:Starv Sample source:A549 | Treatment:Starv Sample source:A549 | Treatment:Starv Sample source:HeLa | Treatment:Mock Sample source:HeLa | Treatment:Mock Sample source:HeLa | Treatment:Mock Sample source:HeLa | Treatment:Mock Sample source:HeLa | Treatment:Starv Sample source:HeLa | Treatment:Starv Sample source:HeLa | Treatment:Starv Sample source:HeLa | Treatment:Starv Sample source:MCF7 | Treatment:Mock Sample source:MCF7 | Treatment:Mock Sample source:MCF7 | Treatment:Mock Sample source:MCF7 | Treatment:Mock Sample source:MCF7 | Treatment:Starv Sample source:MCF7 | Treatment:Starv Sample source:MCF7 | Treatment:Starv Sample source:MCF7 | Treatment:Starv Sample source:U-2_OS | Treatment:Mock Sample source:U-2_OS | Treatment:Mock Sample source:U-2_OS | Treatment:Mock Sample source:U-2_OS | Treatment:Mock Sample source:U-2_OS | Treatment:Starv Sample source:U-2_OS | Treatment:Starv Sample source:U-2_OS | Treatment:Starv Sample source:U-2_OS | Treatment:Starv alanine 2420514.0000 2368476.0000 2446963.0000 2412082.0000 1217840.0000 1210514.0000 1203941.0000 1195608.0000 21050988.0000 22264706.0000 21621929.0000 21117407.0000 29563216.0000 29109225.0000 29300839.0000 29021406.0000 4745694.0000 4767639.0000 4680000.0000 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10141416.0000 10041749.0000 10172476.0000 34166351.0000 31889586.0000 32556095.0000 32639158.0000 14748658.0000 14604966.0000 14710087.0000 14633441.0000 histidine 7400.0000 8722.0000 8665.0000 8537.0000 187.0000 415.0000 497.0000 1773.0000 1955.0000 2990.0000 2733.0000 5549.0000 5433.0000 4819.0000 6129.0000 9943.0000 9594.0000 9716.0000 9592.0000 5465.0000 6048.0000 5859.0000 5973.0000 1598.0000 1974.0000 2210.0000 1421.0000 3844.0000 1506.0000 1629.0000 isoleucine 12586802.0000 12537212.0000 12810955.0000 12770781.0000 10325723.0000 10367356.0000 10051511.0000 10373658.0000 21326365.0000 21088194.0000 20687252.0000 20606374.0000 29673893.0000 29201120.0000 28537432.0000 29286894.0000 11996302.0000 12157820.0000 12188003.0000 12067743.0000 13219388.0000 13169422.0000 13230708.0000 13377232.0000 7303028.0000 7086897.0000 7224790.0000 7150397.0000 6548619.0000 6478901.0000 6551450.0000 6463933.0000 lathosterol 23558323.0000 24004049.0000 24335745.0000 24746388.0000 26896533.0000 27512100.0000 28029011.0000 28135954.0000 29340586.0000 30415545.0000 31414778.0000 31599508.0000 34459947.0000 35639378.0000 35623784.0000 36822051.0000 31804671.0000 32180753.0000 32028854.0000 31797029.0000 25494273.0000 25923266.0000 25393582.0000 25887583.0000 36921114.0000 37595393.0000 37895413.0000 38663180.0000 26267453.0000 26269111.0000 26450342.0000 26446740.0000 leucine 10122832.0000 9946163.0000 10200087.0000 10309773.0000 7497878.0000 7634500.0000 7602127.0000 7590774.0000 17653287.0000 17631514.0000 17149652.0000 17055456.0000 23771594.0000 23031207.0000 23228044.0000 23095325.0000 9080690.0000 9189667.0000 9141554.0000 9016291.0000 9693359.0000 9743417.0000 9730064.0000 9793702.0000 6026449.0000 5778671.0000 5960825.0000 5976509.0000 5382634.0000 5317785.0000 5367747.0000 5359767.0000 lysine 139751.0000 131602.0000 137127.0000 137965.0000 125070.0000 125439.0000 123647.0000 129178.0000 590038.0000 635531.0000 647274.0000 639860.0000 1523327.0000 1515030.0000 1530631.0000 1534659.0000 197942.0000 192276.0000 199217.0000 198270.0000 147397.0000 144764.0000 145931.0000 146886.0000 795243.0000 786796.0000 812469.0000 786439.0000 97150.0000 97520.0000 95684.0000 97543.0000 malate 703156.0000 708428.0000 709655.0000 706449.0000 388876.0000 387514.0000 391293.0000 395000.0000 4157031.0000 4416842.0000 4442763.0000 4465477.0000 3041454.0000 3005622.0000 3029867.0000 3042321.0000 1359574.0000 1352273.0000 1349612.0000 1346689.0000 806301.0000 793212.0000 807683.0000 817024.0000 539544.0000 520633.0000 542516.0000 532876.0000 681132.0000 690560.0000 690724.0000 692882.0000 methionine 2265095.0000 2275880.0000 2293548.0000 2265700.0000 1580100.0000 1579426.0000 1580301.0000 1575616.0000 4219470.0000 4441319.0000 4418721.0000 4416193.0000 7582790.0000 7484062.0000 7520431.0000 7478152.0000 1758664.0000 1773532.0000 1778128.0000 1754739.0000 1865895.0000 1853388.0000 1852176.0000 1866547.0000 2444631.0000 2360514.0000 2466775.0000 2461756.0000 1393343.0000 1404809.0000 1409998.0000 1401452.0000 phenylalanine 4632853.0000 4618125.0000 4675656.0000 4665877.0000 4708942.0000 4727413.0000 4737195.0000 4746482.0000 8422911.0000 8693887.0000 8670729.0000 8661541.0000 13480653.0000 13366020.0000 13392783.0000 13346683.0000 5946450.0000 5964832.0000 5943108.0000 5911018.0000 5742236.0000 5744381.0000 5747175.0000 5775823.0000 4100334.0000 4030789.0000 4122619.0000 4091379.0000 3366686.0000 3408863.0000 3424714.0000 3413841.0000 proline 1454172.0000 1443089.0000 1464737.0000 1455578.0000 902365.0000 897391.0000 885772.0000 890517.0000 4875321.0000 5195490.0000 5219847.0000 5165310.0000 9099381.0000 8959835.0000 8971316.0000 8868336.0000 1561234.0000 1597183.0000 1548430.0000 1522793.0000 1559004.0000 1557961.0000 1515790.0000 1545366.0000 11379576.0000 10911631.0000 11084511.0000 10954212.0000 6647787.0000 6607819.0000 6663589.0000 6619528.0000 pyruvate 451.0000 558.0000 712.0000 615.0000 737.0000 910.0000 889.0000 1378.0000 1347.0000 1482.0000 1416.0000 1352.0000 1437.0000 1417.0000 678.0000 766.0000 746.0000 609.0000 685.0000 940.0000 1111.0000 1122.0000 1157.0000 1114.0000 1041.0000 784.0000 726.0000 519.0000 818.0000 serine 2926615.0000 2849771.0000 2920364.0000 2934308.0000 2659861.0000 2675196.0000 2696176.0000 2739709.0000 9031651.0000 8747332.0000 8528579.0000 8478145.0000 13760915.0000 13707612.0000 13693813.0000 13765673.0000 3649363.0000 3677788.0000 3670422.0000 3643795.0000 3638788.0000 3628226.0000 3561704.0000 3621350.0000 4031933.0000 4038330.0000 4054723.0000 4086347.0000 1583223.0000 1618471.0000 1617289.0000 1621423.0000 succinate 232532.0000 219250.0000 220747.0000 222708.0000 201485.0000 196822.0000 202705.0000 196218.0000 1275154.0000 1031479.0000 982300.0000 902701.0000 1514800.0000 1447523.0000 1403416.0000 1391896.0000 896189.0000 888053.0000 869412.0000 857871.0000 886100.0000 883219.0000 874196.0000 883291.0000 901500.0000 873968.0000 883892.0000 896306.0000 712276.0000 713534.0000 747013.0000 752054.0000 threonine 87936.0000 91283.0000 91701.0000 75262.0000 167894.0000 159578.0000 167330.0000 154580.0000 487463.0000 527295.0000 536639.0000 538231.0000 793428.0000 736336.0000 785569.0000 775394.0000 219406.0000 214911.0000 222255.0000 186226.0000 253798.0000 252323.0000 254107.0000 257748.0000 1229001.0000 1204117.0000 1230968.0000 1223976.0000 189293.0000 142722.0000 128203.0000 112350.0000 tryptophan 2017045.0000 2032675.0000 2067683.0000 2050880.0000 1852961.0000 1832541.0000 1853852.0000 1875038.0000 4119402.0000 3870064.0000 3865413.0000 3705111.0000 7712890.0000 7534726.0000 7690939.0000 7610604.0000 2108474.0000 2148940.0000 2120976.0000 2114635.0000 2071142.0000 2042264.0000 2040303.0000 2069035.0000 2114090.0000 2094219.0000 2065443.0000 2083742.0000 1048293.0000 1042389.0000 1056381.0000 1073222.0000 valine 7438978.0000 7271448.0000 7548534.0000 7466261.0000 6807119.0000 6832860.0000 6800281.0000 6826821.0000 11218835.0000 11422277.0000 11247355.0000 11123282.0000 18522388.0000 18223768.0000 18452433.0000 18271302.0000 6406537.0000 6473635.0000 6377364.0000 6342261.0000 7228539.0000 7276470.0000 7291224.0000 7401520.0000 6752034.0000 6621068.0000 6777400.0000 6760570.0000 4639686.0000 4579323.0000 4585593.0000 4580791.0000 α-ketoglutarate 65194.0000 59627.0000 63946.0000 57978.0000 68210.0000 66047.0000 67229.0000 61385.0000 79368.0000 51544.0000 40395.0000 26179.0000 7057.0000 10257.0000 7507.0000 8559.0000 225687.0000 207442.0000 209352.0000 204976.0000 214323.0000 216722.0000 204456.0000 226815.0000 135378.0000 126584.0000 144093.0000 171898.0000 1732667.0000 1729864.0000 1727655.0000 1758197.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant alanine 5950 C00041 asparagine 6267 C00152 aspartate 5960 C00049 cholesterol 5997 C00187 cis-aconitate 643757 C00417 citrate 311 C00158 cysteine 5862 C00097 FA 12:0 3893 C02679 FA 14:1 (9Z) 5281119 C08322 FA 16:0 985 C00249 FA 18:0 5281 C01530 FA 18:1(9Z) 445639 C00712 FA 18:3(6Z,9Z,12Z) 5280933 C06426 FA 18:3(9Z,12Z,15Z) 5280934 C06427 FA 20:4(5Z,8Z,11Z,14Z) 444899 C00219 FA 22:0 8215 C08281 FA 22:1(13Z) 5281116 C08316 FA 24:0 11197 C08320 FA 24:1(15Z) 5281120 C08323 fumarate 444972 C00122 glutamate 33032 C00025 glutamine 5961 C00064 glycine 750 C00037 histidine 6274 C00135 isoleucine 6306 C00407 lathosterol 65728 C01189 leucine 6106 C00123 lysine 5962 C00047 malate 222656 C00149 methionine 6137 C00073 phenylalanine 6140 C00079 proline 145742 C00148 pyruvate 1060 C00022 serine 5951 C00065 succinate 1110 C00042 threonine 6288 C00188 tryptophan 6305 C00078 valine 6287 C00183 α-ketoglutarate 51 C00026 METABOLITES_END #END