#METABOLOMICS WORKBENCH Huntly1_20250731_042409 DATATRACK_ID:6235 STUDY_ID:ST004120 ANALYSIS_ID:AN006832 PROJECT_ID:PR002590 VERSION 1 CREATED_ON August 19, 2025, 8:10 am #PROJECT PR:PROJECT_TITLE CREBBP-loss confers metabolic and epigenetic vulnerabilities upon lymphoma PR:PROJECT_TITLE cells. PR:PROJECT_SUMMARY Inactivating-mutations of CREBBP are common in diffuse large B-cell lymphoma PR:PROJECT_SUMMARY (DLBCL). We previously demonstrated that Crebbp-/- mice develop mature B-cell PR:PROJECT_SUMMARY malignancies preceded by a pre-malignant phase. Using single-cell RNA-seq of WT PR:PROJECT_SUMMARY and Crebbp-/- B-cells from distinct stages of disease evolution, we discovered PR:PROJECT_SUMMARY expansion of aberrant germinal center B-cells during disease progression. Both PR:PROJECT_SUMMARY Crebbp-/- murine and human CRISPR-engineered isogenic CREBBP-null cells PR:PROJECT_SUMMARY displayed reduced expression of BCR-signaling genes and increased OXPHOS PR:PROJECT_SUMMARY transcriptional programs, a finding recapitulated in DLBCL patients with low PR:PROJECT_SUMMARY CREBBP expression. Mechanistically, BCR-signaling decreased upon CREBBP loss, PR:PROJECT_SUMMARY alleviating p65-mediated repression of the transcriptional coactivator PGC1β, PR:PROJECT_SUMMARY resulting in enhanced OXPHOS transcriptional programs. This metabolic PR:PROJECT_SUMMARY vulnerability could be targeted therapeutically. Furthermore, CREBBP-loss also PR:PROJECT_SUMMARY conferred an epigenetic vulnerability by altering the landscape of acetylated PR:PROJECT_SUMMARY transcription factors, including BET proteins, at super-enhancers. Combined PR:PROJECT_SUMMARY inhibition of complex I and BET proteins exploited the metabolic and epigenetic PR:PROJECT_SUMMARY vulnerabilities of Crebbp-/- tumors, extending lymphoma survival in vivo. PR:INSTITUTE Cambridge Stem Cell Institute PR:DEPARTMENT Haematology PR:LABORATORY Huntly / Frezza PR:LAST_NAME Horton PR:FIRST_NAME Sarah PR:ADDRESS Puddicombe Way, Cambridge, Cambridgeshire, CB2 0AW, United Kingdom PR:EMAIL sjh244@cam.ac.uk PR:PHONE +44 1223 763368 #STUDY ST:STUDY_TITLE Assessing the dependence of murine WT and Crebbp-/- tumour B cells on glucose to ST:STUDY_TITLE fuel Oxidative Phosphorylation. ST:STUDY_SUMMARY The objective of this experiment was to compare the oxidation of glucose by ST:STUDY_SUMMARY murine WT and Crebbp-/- tumour B cells by examining the relative incorporation ST:STUDY_SUMMARY of glucose into TCA cycle-derived intermediates in these cells. To perform this ST:STUDY_SUMMARY experiment we cultured CD19+ splenocytes isolated from WT and Crebbp-/- tumour ST:STUDY_SUMMARY mice for 4 hours in Seahorse RPMI with U13C-labelled glucose stable isotope ST:STUDY_SUMMARY tracer. Data were generated from 5 independent cultures. ST:INSTITUTE Cambridge Stem Cell Institute ST:LAST_NAME Horton ST:FIRST_NAME Sarah ST:ADDRESS Puddicombe Way, Cambridge, Cambridgeshire, CB2 0AW, United Kingdom ST:EMAIL sjh244@cam.ac.uk ST:PHONE +44 1223 763368. #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - SH_237 Genotype:WT | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_237.raw SUBJECT_SAMPLE_FACTORS - SH_238 Genotype:WT | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_238.raw SUBJECT_SAMPLE_FACTORS - SH_239 Genotype:WT | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_239.raw SUBJECT_SAMPLE_FACTORS - SH_240 Genotype:WT | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_240.raw SUBJECT_SAMPLE_FACTORS - SH_241 Genotype:WT | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_241.raw SUBJECT_SAMPLE_FACTORS - SH_247 Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_247.raw SUBJECT_SAMPLE_FACTORS - SH_248 Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_248.raw SUBJECT_SAMPLE_FACTORS - SH_249 Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_249.raw SUBJECT_SAMPLE_FACTORS - SH_250 Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_250.raw SUBJECT_SAMPLE_FACTORS - SH_251 Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells RAW_FILE_NAME(Raw file name)=SH_251.raw SUBJECT_SAMPLE_FACTORS - - Genotype:- | Tracer:- | Sample source:- RAW_FILE_NAME(Raw file name)=- #COLLECTION CO:COLLECTION_SUMMARY 1x106 CD19+ splenocytes were plated in 24-well plates in Seahorse RPMI media CO:COLLECTION_SUMMARY with U13C-labelled glucose stable isotope tracer (5 replicates for each CO:COLLECTION_SUMMARY condition). Before extraction, cells were counted using a separate counting CO:COLLECTION_SUMMARY plate. After that, cells were washed at room temperature with PBS twice and then CO:COLLECTION_SUMMARY kept on ice prior to adding the metabolite extraction solution. CO:SAMPLE_TYPE Splenocytes #TREATMENT TR:TREATMENT_SUMMARY CD19+ splenocytes were cultured for 4 hours in Seahorse RPMI media supplemented TR:TREATMENT_SUMMARY with 10% dialyzed FCS, 2mM glutamine with 1:1000 CD40Ab at a concentration of 1 TR:TREATMENT_SUMMARY x 106/ml. For the glucose tracing experiments 50 μM unlabeled palmitate and TR:TREATMENT_SUMMARY 11.1 mM D-Glucose tracer were added. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY After the PBS washes, 100μL metabolite extraction solution (50% methanol, 30% SP:SAMPLEPREP_SUMMARY acetonitrile, 20% ultrapure water, 5 μM final concentration valine-d8) was SP:SAMPLEPREP_SUMMARY added to each sample. The samples were vortexed for 20 seconds and incubated for SP:SAMPLEPREP_SUMMARY 5 minutes in a dry ice / methanol bath and stored at -80°C overnight. The next SP:SAMPLEPREP_SUMMARY day the samples were incubated at 4°C with shaking for 15 minutes and then SP:SAMPLEPREP_SUMMARY centrifuged for 20 minutes at maximum speed at 4°C. The top 80% of supernatant SP:SAMPLEPREP_SUMMARY was then transferred to individual autosampler vials and stored at -80°C prior SP:SAMPLEPREP_SUMMARY to analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation of polar metabolites was achieved using a Millipore CH:CHROMATOGRAPHY_SUMMARY Sequant ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm) equipped with a 2.1 CH:CHROMATOGRAPHY_SUMMARY × 20 mm guard column (both 5 mm particle size) with a binary solvent system. CH:CHROMATOGRAPHY_SUMMARY Solvent A was 20 mM ammonium carbonate, 0.05% ammonium hydroxide; Solvent B was CH:CHROMATOGRAPHY_SUMMARY acetonitrile. The column oven and autosampler tray were held at 40 °C and 4 CH:CHROMATOGRAPHY_SUMMARY °C, respectively. The chromatographic gradient was run at a flow rate of 0.200 CH:CHROMATOGRAPHY_SUMMARY mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% CH:CHROMATOGRAPHY_SUMMARY B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-22.5 min: hold at 80% CH:CHROMATOGRAPHY_SUMMARY B. Samples were randomized and analysed with LC–MS in a blinded manner with an CH:CHROMATOGRAPHY_SUMMARY injection volume was 5 µl. Pooled samples were generated from an equal mixture CH:CHROMATOGRAPHY_SUMMARY of all individual samples and analysed interspersed at regular intervals within CH:CHROMATOGRAPHY_SUMMARY sample sequence as a quality control. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 20 mM ammonium carbonate; 0.05% ammonium hydroxide CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 0-2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% B; 17-17.1 min: CH:FLOW_GRADIENT linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. CH:FLOW_RATE 0.200 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Metabolites were measured with Vanquish Horizon UHPLC coupled to an Orbitrap MS:MS_COMMENTS Exploris 240 mass spectrometer (both Thermo Fisher Scientific) via a heated MS:MS_COMMENTS electrospray ionization source. The spray voltages were set to +3.5kV/-2.8 kV, MS:MS_COMMENTS RF lens value at 70, the heated capillary held at 320 °C, and the auxiliary gas MS:MS_COMMENTS heater held at 280 °C. The flow rate for sheath gas, aux gas and sweep gas were MS:MS_COMMENTS set to 40, 15 and 0, respectively. For MS1 scans, mass range was set to MS:MS_COMMENTS m/z=70-900, AGC target set to standard and maximum injection time (IT) set to MS:MS_COMMENTS auto. Data acquisition for experimental samples used full scan mode with MS:MS_COMMENTS polarity switching at an Orbitrap resolution of 120000. Data acquisition for MS:MS_COMMENTS untargeted metabolite identification was performed using the AcquireX Deep Scan MS:MS_COMMENTS workflow, an iterative data-dependent acquisition (DDA) strategy using multiple MS:MS_COMMENTS injections of the pooled sample. In brief, sample was first injected in full MS:MS_COMMENTS scan-only mode in single polarity to create an automated inclusion list. MS2 MS:MS_COMMENTS acquisition was then carried out in triplicate, where ions on the inclusion list MS:MS_COMMENTS were prioritized for fragmentation in each run, after which both the exclusion MS:MS_COMMENTS and inclusion lists were updated in a manner where fragmented ions from the MS:MS_COMMENTS inclusion list were moved to exclusion list for the next run. DDA full MS:MS_COMMENTS scan-ddMS2 method for AcquireX workflow used the following parameters: full scan MS:MS_COMMENTS resolution was set to 60000, fragmentation resolution to 30000, fragmentation MS:MS_COMMENTS intensity threshold to 5.0e3. Dynamic exclusion was enabled after 1 time and MS:MS_COMMENTS exclusion duration was 10s. Mass tolerance was set to 5ppm. Isolation window was MS:MS_COMMENTS set to 1.2 m/z. Normalized HCD collision energies were set to stepped mode with MS:MS_COMMENTS values at 30, 50, 150. Fragmentation scan range was set to auto, AGC target at MS:MS_COMMENTS standard and max IT at auto. Xcalibur AcquireX method modification was on. Mild MS:MS_COMMENTS trapping was enabled. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples SH_237 SH_238 SH_239 SH_240 SH_241 SH_247 SH_248 SH_249 SH_250 SH_251 Factors Genotype:WT | Tracer:Glucose | Sample source:Cells Genotype:WT | Tracer:Glucose | Sample source:Cells Genotype:WT | Tracer:Glucose | Sample source:Cells Genotype:WT | Tracer:Glucose | Sample source:Cells Genotype:WT | Tracer:Glucose | Sample source:Cells Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells Genotype:Crebbp-/- Tumour | Tracer:Glucose | Sample source:Cells 2/3-phosphoglycerate_m+0 999832.9611 913422.147 819513.1405 719884.6095 4165839.122 3789902.81 1513476.7 1456317.112 754943.642 1959903.61 2/3-phosphoglycerate_m+3 1120686.339 3730051.155 1140777.563 631964.0606 1710789.05 4052072.686 4021912.035 3690272.301 1725668.289 3127524.269 2-hydroxyglutarate_m+0 9595339.651 9795539.208 11410705.15 9852794.167 11746073.66 10400059.09 12195684.51 11080054.19 10078165.8 10095642.42 2-hydroxyglutarate_m+1 0 0 0 0 0 43814.24307 25992.65348 81750.38257 14702.78121 44377.30359 2-hydroxyglutarate_m+2 0 0 0 0 0 198549.1917 222546.8636 179933.4482 140483.2547 186107.8117 2-hydroxyglutarate_m+3 0 0 0 0 0 180120.1231 117456.3125 179098.1268 93255.1953 164036.0827 2-oxoglutarate_m+0 10650913.44 10020108.05 11221937.45 10973848.37 10950094.95 23258767.17 20495946.95 16049656.8 16493099.14 16664062.54 2-oxoglutarate_m+1 86688.60148 71192.21398 131457.6652 107272.4365 95257.16534 795033.5837 647061.9782 550912.1901 511385.856 520430.8382 2-oxoglutarate_m+2 144453.0861 135290.2749 156830.6357 140497.6857 177271.1555 1289812.857 1083580.674 814980.9883 797329.0373 849955.273 2-oxoglutarate_m+3 31320.8195 28409.66902 33863.50959 20455.22853 20605.41724 459571.2369 355803.8 278304.4384 267083.708 298844.2485 Acetylcarnitine_m+0 1309676350 1412746449 1491798644 1376908632 1408852663 1205352491 1185527983 1333472621 1370094096 1586008637 Acetylcarnitine_m+2 0 0 0 0 0 0 0 0 0 0 aconitate_m+0 8456117.842 9743407.228 9689101.441 9576512.142 9701983.443 16318153.1 14553006.9 14945275.91 12557278.67 17837545.75 aconitate_m+1 95165.87853 146660.3734 145547.789 132699.6648 95572.18325 719809.7297 694461.3077 664427.534 481794.934 812479.3851 aconitate_m+2 68666.77579 44007.97274 56654.24036 41276.10832 62038.03555 865694.6929 682993.7413 746942.9649 542924.1052 836956.7103 aconitate_m+3 76562.51109 102965.1565 83536.45534 58980.25151 99010.74274 795641.9879 633457.2401 679820.3115 510156.8773 713727.1902 adenosine_m+0 34315811.47 24723662.81 30791652.86 30227389.32 27056299.59 3054963.487 3617473.007 5007481.373 3836745.556 5444300.292 adenosine_m+5 8272091.478 5865903.617 7581477.586 7471366.813 6260129.81 1087503.337 1265334.929 1735222.925 1208129.729 1795815.5 ADP_m+0 26784452.82 21778328.36 21753603.93 20499287.06 27947691.78 33567066.7 41500494.22 39397865.96 30767954.45 31748945.25 ADP_m+2 289988.8096 394538.1465 203282.1594 262841.8764 385712.1127 1812076.986 2250305.918 2196510.985 1601961.598 1608000.983 ADP_m+3 166398.1071 153926.02 117874.5753 109374.0074 210409.4812 738984.4156 894894.722 844425.0777 604594.137 639742.6489 ADP_m+4 147473.4 48265.8436 109735.7597 51269.6118 71763.10149 595767.3014 654162.1994 711900.3908 426463.5329 455140.3374 ADP_m+5 6501800.897 6893590.011 5421567.96 5056256.879 6442431.225 15463080.21 18814873.13 18701864.77 14167991.25 13807161.46 Alanine_m+0 7214827.636 7891475.076 8716696.68 7565117.15 8654594.273 23424313.42 26627569.5 22942350.65 22566486.09 19241977.26 Alanine_m+1 30807.23123 27014.52459 10497.30573 0 32289.61844 715490.5589 882594.1592 689388.7855 638645.5033 426231.083 Alanine_m+2 0 0 43568.98046 8812.524154 5709.081291 509966.6215 559164.5252 495282.5596 327435.3413 329806.7705 Alanine_m+3 5858724.246 6569447.034 6390672.194 5933782.053 6897676.613 48289119.2 53710156.16 46036791.35 43057553.17 34586651.12 AMP_m+0 15926449.46 10271796.5 13296479.03 11487682.98 12516098.41 16311241.51 25662347.54 24736041.1 18801848.86 19910897.27 AMP_m+5 4029420.617 3068135.785 3470121.467 2795793.701 2961537.704 7575547.722 11969268.84 11626387.09 8861941.622 9045755.225 aspartate_m+0 297621183.1 313762691.6 347201906.3 323522781 335765964.9 218269070.4 232810640.4 217323196.4 234925039.3 224515172.9 aspartate_m+1 5396343.455 5447439.451 6437397.396 6139092.449 6559507.372 9906773.291 10622969.19 9810974.005 10379739.47 9846817.917 aspartate_m+2 5083556.883 5672755.627 6574251.206 6015110.785 6496712.291 13969531.36 13815515.16 13480933.43 14318774.11 13277448.53 aspartate_m+3 3254222.852 3465631.789 3690613.388 3412407.944 3671678.777 8757639.361 9108376.655 8766054.29 9176381.963 8460413.709 aspartate_m+4 4267.033861 37983.533 97929.21023 76262.89272 93355.22681 396298.4425 358796.4487 364747.7489 336820.8506 297153.314 ATP_m+0 44349360.3 53001068.6 40989207.9 41322156.87 57999176.07 76470006.91 52487336.96 54042367.24 24589567.17 69897488.36 ATP_m+2 565237.092 1153210.513 515464.7207 696171.8228 665551.0829 3974047.334 2433719.044 2893992.306 1010701.031 3475629.272 ATP_m+3 289217.3884 480958.8494 247235.1329 137370.9607 230363.88 1462602.682 746202.1162 1020981.532 365560.4127 1369603.252 ATP_m+4 222776.7665 184025.0907 242748.7088 107665.4595 318050.187 1033855.702 340462.8061 663291.6357 189192.3245 934374.9051 ATP_m+5 9766018.435 17778609.98 10209662.84 9545157.539 11855461.14 33249113.43 21993720.31 24512956.09 10369823.28 29288096.04 ATP_m+6 526330.2676 749158.21 568070.0224 574632.8991 703491.0171 5701092.514 2916973.323 4149177.196 1608915.246 5164236.191 C3-carnitine_m+0 30596116.25 29242353.66 37600925.16 33901295.63 32862751.68 37902763.72 33306750.5 33909977.94 32272066.98 42814493.86 C3-carnitine_m+1 0 0 48782.75972 144153.1906 0 2090461.302 1614797.733 1666581.218 1538330.715 2158127.181 C3-carnitine_m+2 0 0 0 0 0 467749.6729 426938.8164 468908.9283 558091.8838 484689.7809 CDP_m+0 1625492.803 1682822.43 1127894.014 1150374.697 2010006.059 3603821.209 4306616.299 4046221.263 2143374.956 3577459.035 CDP_m+5 92557.71908 82528.63391 96626.53047 39622.75436 88636.61409 709104.3819 795019.2165 853026.1514 432351.4334 690507.3061 CDP-ethanolamine_m+0 1372664.456 1547761.898 1638265.665 1411743.905 1556071.362 3509721.38 3508872.833 3263771.962 2842042.617 2859059.385 CDP-ethanolamine_m+2 0 0 0 0 0 0 0 0 0 0 cyclic ADP-ribose_m+0 422263.3498 416017.5122 460761.6846 436731.1811 654576.9329 633397.6288 446839.4476 427244.3675 501889.5659 473107.5228 cyclic ADP-ribose_m+5 259166.6471 343101.1097 303590.0149 273505.1514 328872.0048 488818.0587 353907.3718 417190.8181 384471.2116 420267.4206 cyclic ADP-ribose_m+10 0 0 0 0 0 117671.2157 83307.79586 128406.7911 76950.08677 95431.79004 dTTP_m+0 0 0 0 0 0 187705.5052 131590.5463 97809.15967 11075.33018 80671.54606 dTTP_m+5 0 0 0 0 0 148334.671 170204.1558 99705.95051 49095.66566 132779.1863 Erythronate_m+0 6340200.817 7456051.46 8167869.035 7211897.891 7702315.436 9521062.538 9870940.492 7238463.338 9264602.512 6862671.753 Erythronate_m+1 56248.77543 105485.7602 94681.97623 37474.67525 70603.71705 156173.4678 119383.1173 195537.8006 45660.15711 100438.6538 Erythronate_m+3 0 0 0 0 0 37984.21827 0 0 3213.971809 0 Erythronate_m+4 1599997.148 2028243.729 2180769.785 1815787.095 2024776.26 3133626.437 2964411.497 2347710.327 2647781.486 2048048.533 fumarate_m+0 2147635.374 2409095.881 2758707.792 1941753.209 2700166.393 4704986.786 5714979.985 4195026.28 3739018.986 3171628.305 fumarate_m+2 0 0 0 0 0 285029.5484 346303.7485 248222.4421 146830.2507 156626.1035 fumarate_m+3 0 0 0 0 0 135478.2805 163742.5029 93824.53182 70925.47615 21474.57569 gamma-aminobutyrate_m+0 5224366.989 5468954.46 6090888.659 5189522.527 5157318.976 5629412.728 5574435.802 5210897.796 5702305.301 5611738.959 gamma-aminobutyrate_m+1 94200.46253 118307.53 124915.1287 77973.72398 0 272816.3896 290630.7216 236971.3255 331695.1785 223719.2906 gamma-aminobutyrate_m+2 0 25556.62369 10906.2733 19924.38318 29122.2568 195185.1015 203757.2208 213246.4796 147114.4913 141029.9437 glucose_m+0 1623183.033 1894917.387 2736831.634 2107709.587 2223325.038 1255037.727 1504216.804 1262540.079 3172336.274 1251627.264 glucose_m+5 67261.77665 0 101001.8031 36712.41121 2638.630965 25120.59208 28954.08024 59247.22064 300989.4268 20596.78722 glucose_m+6 9006720.154 6445556.096 9602368.314 3491418.542 13105289.81 680142.1216 8072722.832 1316630.026 5318216.156 7016533.37 glutamate_m+0 378886890.7 418353298.9 446956306.3 400944672.3 427133119.7 353238061.6 380489686.6 361058068.1 366423864.8 357113141.6 glutamate_m+1 5709966.516 6116478.95 6977400.353 5584367.816 6651608.318 13491309.24 14758347.81 13734944.27 13553134.67 13068457.85 glutamate_m+2 6563130.808 7320714.871 8173658.583 7127339.018 7904800.827 20494336.34 21311867.4 20714178.92 20316029.59 18570851.88 glutamate_m+3 1510371.61 1748364.67 1938619.833 1569156.589 2032561.556 6937270.561 7282586.071 7190275.232 6958409.384 6709821.956 glutamate_m+4 32028.05647 150053.4708 198004.1538 66484.51044 137222.4357 494915.6966 478625.9558 457888.3623 383951.3355 384931.0738 glutamine_m+0 448377095.2 434220761.7 520975430.1 336887318.6 550440352 883127905.8 1004065332 870651749.4 932762819 851368799 glutamine_m+1 0 0 0 96516.07938 248972.2805 75041.97474 0 377142.847 323486.9075 0 glutamine_m+2 87740.97105 108454.7946 37626.49581 109717.2505 186242.312 170253.1799 124507.1883 104263.3699 0 0 glutamine_m+3 0 0 0 0 0 41870.78634 50113.93677 66399.35796 31650.38146 50819.91536 glutathione reduced_m+0 194778905.7 223406732.8 219705210.1 202139911.3 229363816.6 177977357.8 185634811.8 172130094 138099445.6 158104515.6 glutathione reduced_m+2 0 0 0 0 0 0 0 110160.3371 0 0 glutathione reduced_m+3 49420.62828 0 101822.5658 188821.5565 1111759.439 636849.0289 200675.3718 266876.1796 352276.1683 247849.8841 glutathione reduced_m+4 106889.5208 65463.38205 26631.8309 100380.3127 418140.4282 196920.7816 159779.9824 130921.4961 73087.53419 202352.7215 glycerol 3-phosphate_m+0 379952.0151 353315.2899 402680.2855 357063.6418 470675.9569 419609.9454 436097.7205 319891.4569 264297.709 376448.5779 glycerol 3-phosphate_m+1 844234.5737 411776.8726 1252708.846 1168441.774 763668.3704 206523.9068 389389.2061 520833.1322 1091837.917 503960.3599 glycerol 3-phosphate_m+3 117949.7426 162496.4543 157466.1653 92140.03256 115089.8297 188387.5702 163971.9139 120932.9844 95783.39743 138359.3655 glycerophosphocholine_m+0 91049317.43 106419996.7 108764467 90316919.29 118507117.2 43553272.37 57644158.42 41228680.26 36292964.93 37651277.71 glycerophosphocholine_m+3 6385883.949 8107074.846 8231473.814 7284258.634 8685976.784 4514702.077 5387330.017 4586933.526 4266038.917 3927562.229 GMP_m+0 1240568.064 923294.913 1199820.328 995716.5229 1471501.805 2069782.729 3044566.889 2824701.441 1891255.508 2355950.239 GMP_m+5 198479.9467 375301.5768 192536.3864 175252.8775 177862.7489 530714.6096 893874.95 824386.6671 441390.142 603615.0143 GTP_m+0 2604357.07 2339168.902 2031130.547 2003359.978 4924441.868 4863821.644 3291317.254 3257288.674 944566.8958 4860500.13 GTP_m+5 394370.6968 1529352.415 305061.5727 172438.8178 372223.8732 1133544.712 949878.191 1036403.026 78333.31401 1209347.547 hexitol_m+0 5838546.202 6568443.798 7735284.875 6936505.983 6986152.067 5092515.901 5251742.725 3453637.678 5485663.2 2879692.347 hexitol_m+6 9316331.237 11809464.06 16109966.45 12898696.95 13380984.31 30629060.83 28468266.35 16547875.76 26273057.05 13519980.86 hexose phosphate_m+0 328905.379 286926.7839 332972.4188 329805.3664 519536.5641 600913.2861 430882.4793 413147.1055 391162.6301 364038.6168 hexose phosphate_m+3 107234.1659 168194.7507 278573.2562 156643.7817 101054.0094 459699.5325 472545.9035 220828.1408 151080.259 364832.9089 hexose phosphate_m+6 337478.0915 664816.144 727183.1653 463332.0926 569111.7356 1613753.075 1575717.658 1342729.427 1101224.333 1329340.91 IMP_m+0 356236.8667 265401.2645 373031.5201 248924.026 196359.7784 687309.943 1323595.385 351970.2819 242011.3361 181143.7212 IMP_m+5 162010.3564 130109.2949 181968.9947 121638.341 132088.5954 560902.2458 995456.5548 404032.1007 260470.9336 203264.2897 inosine_m+0 1513548.161 928902.1303 2500168.529 1558156.992 1085430.715 140812.3251 217420.6654 104743.6677 87754.6361 89037.74874 inosine_m+5 341459.7527 192992.458 572369.55 323078.7932 245148.0962 0 0 0 0 0 lactate_m+0 8439341.29 6266742.585 7476713.318 4900014.741 8815495.513 12698543.02 16601898.93 11675957.17 10566531.69 6790929.02 lactate_m+1 101247.6217 0 84307.5801 0 172211.6231 861801.2738 912507.0651 649030.8078 473302.1872 363336.7622 lactate_m+2 95958.85779 51011.56799 5615.865863 15866.19924 56308.81126 559246.7749 678384.7512 375420.3005 308763.2688 204810.5661 lactate_m+3 4761332.298 4941706.501 5285803.165 3696252.754 5204586.254 24916153.76 27103659.89 20475443.2 19402365.58 12763493.12 malate_m+0 50248416.46 50487866.97 60050023.58 53477980.4 51295209.74 81474687.71 94445549.69 69770635.15 66927681.14 57586141 malate_m+1 803146.7669 750989.0815 1024770.144 863329.5821 819844.5099 4468107.844 4929862.973 3630013.419 2967809.22 2755316.74 malate_m+2 708149.3684 757311.3634 896376.6206 893725.5669 840371.441 5320826.434 5929838.035 4420514.54 4016410.599 3345708.273 malate_m+3 462294.9791 494108.1128 492014.2775 360827.696 424406.5527 2876172.825 3247870.198 2556657.152 2201997.082 1734846.22 malate_m+4 0 0 12710.2126 18785.09558 128181.2214 233669.6554 105041.3088 93535.46454 98329.85254 49637.65143 methylthioadenosine_m+0 2671090.512 3957359.855 2642012.255 3566377.222 3075805.392 12044137.77 11280574.52 14457645.65 9865977.038 10702201.48 methylthioadenosine_m+5 377584.0073 834542.1223 336695.3437 636321.3201 512090.8968 4507945.925 4888462.508 5418930.698 3920308.148 3759197.129 N-acetylaspartate_m+0 26462159.67 29656525.69 31389558.39 30097582.54 31584893.98 8493633.248 8622331.736 9180957.899 9701161.67 7936003.552 N-acetylaspartate_m+1 0 0 0 0 0 0 0 0 0 0 N-acetylaspartate_m+2 0 0 0 0 0 0 0 0 0 0 N-acetylaspartate_m+3 0 0 0 0 0 0 0 0 0 0 N-acetylaspartate_m+4 400439.9425 324012.0246 560344.214 325147.9034 417507.9131 192327.8115 333150.4132 198789.6196 430693.0451 225316.3093 NAD_m+0 6219013.072 6865881.727 6884755.921 6835407.666 9826673.251 9512554.52 7259460.785 7121599.362 7500006.069 7166547.555 NAD_m+2 395504.0138 595318.2766 490561.47 587963.65 424460.7525 888402.6679 511203.885 641422.0335 581961.048 618052.6464 NAD_m+5 4242023.116 5501042.386 5403362.488 4850471.025 5195897.857 7781709.121 5965529.781 6306826.709 6319931.967 6190828.533 NAD_m+7 0 121518.7506 9593.103727 14188.0382 0 439013.8293 325076.8118 292848.4864 408581.2424 240294.8034 NAD_m+8 0 34712.19635 0 0 11839.84977 158610.7713 0 154935.1635 51149.46524 113785.5564 NAD_m+9 0 13002.28443 0 0 0 101129.549 15660.68392 39245.69216 42500.61581 50871.60433 NAD_m+10 694907.3578 1380983.508 914661.6417 748180.9964 793852.5236 2050650.018 1862916.242 1915424.716 1698386.989 1815145.498 NAD_m+11 0 0 0 0 0 437692.8599 193946.6651 307515.8435 332573.4646 265695.3427 ornithine_m+0 2725389.637 3173894.405 3474160.95 2730630.919 3315139.916 2535733.805 2885525.718 2748438.477 3155498.458 2968200.126 ornithine_m+2 0 0 0 0 0 0 0 0 0 0 orotate_m+0 138796.4198 210479.9897 173316.3381 105835.9118 225751.3721 915698.7904 1460677.868 1304606.865 1099227.482 473708.4106 orotate_m+2 0 0 0 0 0 48378.50208 94203.15817 65633.0577 38613.62061 1154.965615 orotate_m+3 0 0 0 0 0 23565.39373 43461.14173 54477.19911 30323.97117 4223.206674 orotidine_m+0 6834299.655 7832626.495 9748849.889 8021059.479 8790511.757 13987249.74 14586966.99 9744841.925 13602849.11 8598275.681 orotidine_m+2 0 10203.38543 0 2603.61244 25656.60608 74310.52904 76721.76177 11186.1051 52023.93488 47574.62465 orotidine_m+3 22605.36242 17469.956 18646.5089 10851.51373 0 104148.8593 47752.93489 135288.6223 96959.78932 115423.4327 orotidine_m+4 1839897.331 1417928.956 1151261.409 1125781.699 1361190.148 2562052.672 2603477.207 5616770.027 2564504.02 5817862.613 orotidine_m+5 1533345.179 1861715.891 2289620.895 2012725.322 2002557.335 3591441.594 3746090.411 2179184.562 3453358.398 1796503.2 phosphoenolpyruvate_m+0 303373.8624 282097.1594 287863.0429 413142.8434 322462.5196 507295.8991 307236.0245 274410.4683 177226.3523 700228.0757 phosphoenolpyruvate_m+1 0 0 0 0 0 20056.08549 14449.49797 14303.60688 0 24866.68914 phosphoenolpyruvate_m+3 197485.7081 272751.3637 250985.9229 204197.2312 267353.5078 733802.3981 654051.0657 573978.8393 278306.3444 969770.9818 proline_m+0 428151202.3 471773440.9 509693646.8 391785288.9 499036918.8 1321806877 1394512330 1258303860 1294805697 1166275845 proline_m+1 1069604.908 1618664.197 1891691.217 1693388.145 1515562.743 10610779.72 9763026.271 9848200.888 9412105.916 8831751.831 proline_m+2 2392102.712 3212726.162 3511876.076 2877664.443 3575137.573 15912426.24 16308256.05 15194685.03 15580978.19 13197830.15 proline_m+3 309425.1347 471631.3495 594387.9326 363687.1326 355483.8297 4591925.895 4696691.291 4301284.484 4318179.278 3766616.165 proline_m+4 46951.7618 100385.0906 77760.88256 143281.5674 130334.4306 573363.0339 608697.2467 561282.9886 514711.8866 320317.0548 pyroglutamate_m+0 22805263.56 24031309.75 31504675.41 20862467.65 27405095.5 39825857.11 42573953.83 41809801.61 44940364.52 38256129.27 pyroglutamate_m+1 20821.89297 0 0 31531.78185 72692.14915 422270.9691 456831.8253 421965.2762 427411.6037 382582.2754 pyroglutamate_m+2 34340.10368 57772.64692 64117.2928 93840.15097 52479.3508 844419.1162 861802.7232 822804.1396 911303.0202 719497.1909 S-adenosylhomocysteine_m+0 371710.1635 324101.7659 265420.774 285310.9146 251531.3502 570629.1467 552773.6906 832267.8743 531352.4482 671138.5681 S-adenosylhomocysteine_m+5 13278.74397 23350.52926 18883.78196 0 0 248354.5302 249026.7123 332545.5933 154828.1293 298402.2916 S-adenosylmethionine_m+0 18400626.42 16240543.78 14361938.78 13497420.06 25868499.87 46938977.16 29269927.13 46309346.81 37254383.62 48961771.61 S-adenosylmethionine_m+2 43553.26946 327385.4716 82853.45207 147376.5791 0 1199076.881 817163.0634 1516783.948 1123356.156 1417986.804 S-adenosylmethionine_m+3 217439.0373 302348.0676 190043.0382 99842.03918 228044.1526 760708.087 561097.8464 766215.5385 688377.2315 875109.7326 S-adenosylmethionine_m+4 142283.1544 45645.20051 32556.42275 37621.74346 91937.46003 409518.1418 248109.3921 485468.6432 268800.1706 443389.3408 S-adenosylmethionine_m+5 3674516.043 7531513.106 3356501.892 2898962.569 3441949.275 13199361.1 9148140.119 14772513.05 11102465.54 14537549.95 S-adenosylmethionine_m+6 215187.8572 53677.04477 185117.4175 223649.825 166763.3289 2524290.927 1545604.587 2555901.156 2256801.491 2695004.531 sedoheptulose 7-phosphate_m+0 3687.858768 0 13851.3815 12145.1176 91946.5062 133624.3732 67981.86912 67247.43546 64833.20757 74261.6496 sedoheptulose 7-phosphate_m+7 34188.55163 105186.1226 60054.85985 66071.33023 46241.7714 262900.5222 252680.268 246774.4808 159264.8192 223533.6921 UDP_m+0 10483549.14 9480353.801 8297769.83 8054097.129 11050823.58 13852208.97 16846536.73 15200565.29 9708966.724 13418320.12 UDP_m+2 393298.9048 295862.1701 217830.114 189245.9477 607702.481 1032828.772 1242419.114 1094578.645 678768.9662 957948.8981 UDP_m+3 275966.0201 91217.82623 161033.579 212982.8496 1366555.439 561609.5881 435203.8802 446148.3689 314662.7312 414116.8352 UDP_m+4 40283.54864 48129.39869 48949.8077 6952.323526 0 232564.2731 196433.0228 231807.5892 124061.7218 190096.7344 UDP_m+5 4271181.024 4365888.039 3427460.912 2953703.449 4077844.658 11183575.25 13354458.8 12849811.15 7946342.72 10376420.69 UDP-GlcNAc_m+0 3153023.026 3418400.959 3639521.109 3232214.343 3569701.267 3666972.823 3850327.666 3492975.925 2702291.341 3138900.72 UDP-GlcNAc_m+2 144489.7926 179668.3361 166813.2147 132143.4752 228048.1935 267421.7233 251868.3811 192338.2487 160367.1866 204834.0997 UDP-GlcNAc_m+3 467027.9745 485195.4756 610183.3017 499204.873 542303.8139 745729.6726 729351.8672 700545.9982 483334.2184 693725.2126 UDP-GlcNAc_m+4 107397.3471 73366.5365 129858.2491 79321.54807 122728.3279 122771.1875 150375.6841 170073.2374 100668.4522 109822.0757 UDP-GlcNAc_m+5 1102963.801 1313986.511 1338439.407 1254952.119 1270334.615 2296616.768 2330337.832 2034200.673 1675327.371 1954333.149 UDP-GlcNAc_m+6 3102485.544 3256235.89 3529464.793 3192010.525 3552603.404 5334071.644 5507466.56 4921829.687 3817686.516 4504998.834 UDP-GlcNAc_m+7 0 0 0 0 0 95523.60025 91515.56842 47619.49391 17536.7228 116673.4842 UDP-GlcNAc_m+8 311775.8135 312617.0806 372496.8767 323464.3827 317763.0089 1065823.569 1117528.06 1002457.737 748261.1334 919515.4163 UDP-GlcNAc_m+9 106014.4025 117395.2207 91939.03037 85729.94841 106897.2712 199728.4458 204859.3824 195948.6783 144498.5786 178561.3884 UDP-GlcNAc_m+10 37376.01404 32432.08871 82132.62409 61864.3575 85279.09477 221492.2949 207367.8048 185745.0152 144335.8499 164121.7562 UDP-GlcNAc_m+11 1194541.015 1260134.617 1371631.185 1192369.935 1262778.773 4580709.994 4787673.766 4210853.362 3247676.556 3990087.72 UDP-GlcNAc_m+12 0 0 16547.89768 4535.333671 21888.36295 163340.2327 197504.7592 139067.9146 116588.2176 120540.3652 UDP-GlcNAc_m+13 43779.01631 42604.56716 27288.21609 19374.18457 18163.84751 544966.6726 558016.1064 537509.4979 358453.9286 452650.4343 UDP-glucose_m+0 222435.0672 269579.1869 282788.8956 206927.1444 278675.9291 272323.4875 314820.5281 248911.9851 186623.6689 243093.2244 UDP-glucose_m+1 87519.48695 67298.83341 86205.20929 41635.55991 86250.55169 32322.71275 32185.05846 30077.69878 0 19291.0963 UDP-glucose_m+2 100051.8964 129172.3379 149734.8172 130743.9986 133526.918 126051.1144 113078.4915 85646.79314 33753.60947 80569.6398 UDP-glucose_m+3 1232971.213 1447519.244 1514886.998 1412039.544 1432172.924 1762981.37 1904479.911 1572399.295 1063615.903 1364643.908 UDP-glucose_m+4 133806.2503 167989.3457 222468.9358 166984.5582 160470.5446 264103.6656 249235.6985 210936.2773 213547.2234 204437.1383 UDP-glucose_m+5 277776.0274 304534.7444 399166.2428 323005.4113 340620.2967 599242.9787 597911.7302 516359.2524 408261.8629 438521.2203 UDP-glucose_m+6 6505152.582 7465702.023 8365714.276 6691983.095 7399730.744 14403258.65 14171300.71 12737502.66 9621491.953 11500915.38 UDP-glucose_m+8 636765.277 792560.6289 872061.7275 750656.6155 769747.4886 1976172.499 2093966.892 1825435.043 1187185.003 1514344.351 UDP-glucose_m+9 178388.2543 188574.9633 265719.4515 128963.939 161252.989 609767.0544 574877.9024 484724.4688 327762.7267 421188.6128 UDP-glucuronic acid_m+0 47854.98462 57360.42732 82132.62443 39836.72708 51332.95201 38848.41714 47015.23664 28429.4854 9884.11553 19674.56417 UDP-glucuronic acid_m+3 79453.7648 52501.02876 65208.28927 32365.28876 67689.49692 64994.86773 86996.74694 35543.80327 31136.14234 57470.99328 UDP-glucuronic acid_m+6 660271.2036 615804.0852 698608.5091 642411.934 722400.2901 610771.9626 907619.9249 559387.4659 306107.3314 608988.7212 UMP_m+0 2107193.161 1507781.236 1705138.8 1437173.327 1651410.844 2100459.944 3628975.128 3203186.191 2326518.064 2490243.84 UMP_m+2 64172.73442 8747.672867 49261.82296 9883.542157 43022.40067 141526.4114 238305.9225 223053.564 119653.5812 135520.6062 UMP_m+3 7805.369346 0 21256.65061 5162.696434 36926.97808 40941.16579 35808.11101 69296.53569 42470.304 53951.30743 UMP_m+4 0 0 0 0 0 7913.517066 44825.83012 26850.66858 8680.204724 34223.54503 UMP_m+5 959364.8473 777654.0777 863247.6871 696232.6802 724859.1081 1631826.15 2937084.276 2835629.714 1995254.017 1989470.73 UTP_m+0 7194143.405 8894978.915 6454545.468 6493855.001 9329990.335 11303918.33 7543328.042 7483634.634 3159531.215 9734550.668 UTP_m+2 176275.1965 163248.4985 0 84053.30983 439245.0817 892266.0255 448560.963 479962.0109 75360.55523 643827.4444 UTP_m+3 121740.8427 46119.32403 68578.45054 49602.66523 1555052.477 546030.8437 98655.07227 170454.6813 18661.09942 303118.3909 UTP_m+5 2105396.557 3878147.617 2078503.405 2037854.041 2599938.943 8777073.956 5338433.446 5974079.095 2108230.176 7416501.549 argininosuccinate 216500.6693 193229.6072 169694.4581 164283.4599 141861.9406 670031.3034 859711.3026 508804.616 410168.132 364512.2298 C4-carnitine 23975125.18 25543292.93 27730645.4 25698182.93 26459175.26 10392693.06 12019324.65 10406493.03 9734486.9 8950205.412 carbamoylaspartate 20171.5102 53192.21576 78459.6362 32423.18955 42929.93271 278326.774 220466.7097 192134.1538 151566.3811 139062.3253 dihydroorotate 88910.51865 121810.3089 135862.6353 118398.146 190527.6708 290334.6291 338972.7951 250296.6942 293853.9026 174352.4538 gamma-glutamylglycine 387507.615 387739.8281 450480.8088 368706.858 473143.7299 1785498.871 1939869.017 1685598.536 1151484.266 1611656.031 Hexadecanoylcarnitine 128263706 111955583.3 121368075.7 130073063 101116045.8 62766879.24 75891920.35 62990367.75 60529118.08 74079919.07 Hydroxybutyrylcarnitine 40496499.56 42251094.69 43451043.55 39354826.05 41447407.26 99468390.37 107997222.4 98472419.03 104634714.3 102111336.1 N-acetylglutamate 1574961.373 1732258.591 1929055.242 1833196.276 2075974.25 1144648.57 1263286.566 1234038.314 1771341.592 1113845.153 N-acetylglutamine 591102.8468 627098.106 682883.1644 546208.3008 587753.4001 1331739.344 1298622.216 1261511.559 1318099.046 1211748.557 palmitate 5169735221 4903661236 4418531205 5220215858 4515585946 2187270142 1679350055 2504320785 2658885383 2580246054 pentose phosphate_m+5 54251.93023 97042.76568 66068.64025 29345.51745 72535.11958 134442.2034 221796.0001 148297.6278 138934.5307 175984.325 uridine 443704.8001 294670.6121 582334.0951 390461.761 345169.6781 333486.9679 949121.8588 249983.6418 165586.9014 170556.4525 4-hydroxyphenyllactate 1455680.259 1735278.025 1680988.482 1518780.994 1685955.138 4006781.818 4066574.39 3751101.537 3358765.36 3639951.876 4-hydroxyproline 112304245.3 115695550.5 124733075.6 101341852.9 129025692.1 193585018.5 211093704 176835794.9 210628216.5 202418840.2 Acetyl-beta-methylcholine 16357707.69 18926398.15 19167333.73 17122933.67 18579622.13 105589536.1 109582384.2 97134308.8 93369440.78 91665808.08 acetyl-CoA 186538.1766 178389.2626 262048.226 181898.3897 212979.4416 509461.4496 433772.6556 385197.6395 265785.6609 279496.7519 acetylserine 1080033.078 1319008.517 1546800.137 1096812.02 1263237.379 900609.3275 960367.6472 922044.3266 1127837.7 842231.64 ADP-Ribose 635402.4622 429376.697 650156.0758 491861.1136 655417.6411 240274.6311 258449.6151 252253.1505 262071.4786 323904.3207 anserine 2034899.779 2274625.936 2424332.517 1997615.508 2394375.605 559101.2656 556856.6702 573971.0571 428192.9197 415333.431 arachidate 34429022.06 32606039.07 35619574.18 37385150.01 32478099.17 13876866.58 10649102.99 13925438.49 16125887.39 15594046.93 arginine 385345702.4 354549724.2 439164564.2 268920007.3 499508653.5 337235265.1 482146616.8 344141319.9 377483887.5 421268636.6 asparagine 29908952.89 31092569.28 34723901.68 29367923.8 33553368.39 41502714.6 45407878.89 41385537.64 42520747.97 37421755.44 beta-alanine 9680189.545 10928658.85 11373375.92 11205196.65 12092914.49 8129261.26 9322484.695 8290726.94 9250768.73 7707788.918 betaine 67567710.84 81200483.48 78902413.22 67460771.93 79087987.52 616193041.8 632372237.6 582425535.6 530174033 535727078.3 C5-carnitine 7191613.106 8065982.2 8861681.372 7746248.845 8054579.609 3939761.492 3838243.18 3900064.064 3707751.965 3206892.967 carbamoylphosphate 14761160.99 14154759.74 15005078.52 14554717.04 16103336.61 12389178.44 14141848.42 13919267.17 13161958.32 13116819.34 Choline 36437456.95 37481984.88 42262712.15 31327388.65 45010208.98 8768471.891 13405722.63 8464160.982 10983418.61 12688061.29 citicoline 614819.6303 682175.21 693337.8548 625925.3773 754710.674 1310315.195 1603976.611 1242431.037 954973.9735 995360.0336 CMP 848628.5888 819666.3257 835276.9034 561476.9867 894314.3824 1583226.492 1953119.356 1786503.212 1523060.089 1591241.762 Coenzyme A 99451.95816 85164.5313 54506.59113 44834.09841 179269.1852 428914.4144 542890.3289 464243.3014 248420.6209 343955.9469 creatine 142473700.4 163545424.6 161340335 143656740.3 164148114.8 320785160 338444694.7 308362043.2 280504685.9 281034799.8 creatinine 1631116.155 2009670.733 2633776.031 1471957.177 2424278.802 1710357.432 1589240.745 2356479.081 1561743.903 1780569.308 cytidine 1198629.992 1229150.276 1546318.236 1184542.809 1253838.824 2327642.175 4524874.693 1973737.741 1101083.605 1032766.35 cytosine 761785.4691 748851.0603 876984.5078 678461.402 694404.1374 1030506.917 1896606.084 924552.6245 746420.7241 631585.3154 decanoate 1975932.49 2163574.901 2102705.559 2233370.184 2393888.826 1146552.972 1102341.447 1002888.597 979738.2106 1305734.367 deoxycarnitine 4506159.376 5234520.215 5456071.057 4955275.826 5102669.679 9029351.53 9191772.616 8114684.976 7890187.885 7756869.712 DHAP/G3P 125122.7227 94661.24468 120647.1648 140099.8215 113883.1342 147143.4342 119729.6712 233525.0942 70470.07036 249648.6929 docosanoate 3120896.049 3215258.908 3962398.409 3716386.776 3209873.139 1370574.208 1236965.311 1314631.365 1427415.3 1486945.468 gluconate 4434496.253 5362169.339 6252343.876 5051524.659 10658665.69 5130466.807 5227007.915 4567136.626 7648218.128 3851249.334 glycine 2202060.928 2315834.062 2480229.109 2196131.485 3179726.939 3331778.545 3952414.878 3814419.904 3920982.882 3089311.644 guanidineacetate 15770101.64 20013361.71 20213478.07 17477433.52 20896987.56 674622.4491 815400.9755 833501.4497 710494.471 613643.5515 heptadecanoate 19597881.41 18400395.17 18218643.24 20406725.31 17036693.16 7783853.271 6056780.508 9427502.985 10301646.62 9452427.397 hexosamine phosphate 137041.7126 149846.0684 155985.5006 139983.3789 187868.7875 271011.5765 295977.2603 266694.8759 158051.2451 241509.0169 histidine 41009164.95 39487875.54 45123863.6 28924226.87 49569317.32 56377488.37 68874935.15 59655768.27 70414453.79 69098307.98 hydroxystearate 3175908.459 3289159.856 3204177.371 2871001.624 3335504.307 1588814.766 1613442.063 1838552.747 2160266.88 3342831.854 hypoxanthine 13035125.66 6059423.16 11735438.75 8237767.282 6089021.068 2664273.938 7233540.435 661420.2837 342122.9419 315603.2374 Indole-3-acrylate 4893317.794 4734960.403 5267388.147 2794005.408 5543187.68 13695099.97 15139546.8 13733753.45 11911062.97 14225270.05 Inositol 3956612.029 4714806.09 5528746.215 4324417.937 6052559.634 1395499.887 2303996.192 1339674.713 3785448.682 1923691.931 isoleucine 52741430.34 47033085.13 63547784.11 26663608.12 70998309.21 81279880.79 110735431 83313357.34 88770737.43 90710300.62 laurate 3989272.428 4232471.918 3822315.335 4503497.294 4927403.91 2056983.358 1500140.116 2119911.456 1949332.287 1907680.394 L-Cartinine 90542046.53 156495195.9 130022124.3 95724296.95 169443944.1 495655195.9 536200848.1 375139516.2 274551239.9 168083705.7 leucine 51259486.79 46635117.62 59925136.02 25332325.37 67924690.57 81420639.49 113037150.5 78826807.46 78070047.17 80731452.19 lysine 3670370.846 3665571.714 4157278.405 2714279.357 5173919.012 2559283.162 4399325.848 2544923.11 3876284.084 4234066.537 methionine 1020357.986 802659.4703 1126156.931 437366.1727 1337924.757 2282497.053 3203393.05 2137159.955 2241356.765 2321586.361 methionine sulfoxide 1521144.818 1631359.081 2956199.03 1672406.864 2471803.947 1688657.333 2089799.191 1016254.43 1986981.415 1228024.592 myristate 49358908.98 44581545.86 37281128.37 46621051.68 44907735.14 19338929.2 16619678.68 23589830.43 23360630.44 21789676.97 N,N-dimethylarginine 1882285.848 2423374.119 2237092.4 2273526.139 2203010.67 3683759.847 3674432.602 3653175.576 2905652.95 3024562.259 N6,N6,N6-Trimethyllysine 4193580.728 5096597.288 5043757.65 4570089.175 4692956.287 7082758.134 6786142.358 6782714.927 5937956.29 6009099.64 N-acetylarginine 4215003.109 5021034.592 4800070.913 4319980.232 4953712.399 8562513.319 8926955.309 8188539.045 7750674.304 7397583.139 N-acetylaspartylglutamate 52636.15638 49253.45269 80712.73295 68326.79647 56477.36183 127638.2882 100578.9111 135801.9885 89866.78059 111973.9598 N-acetylhistidine 270587.3198 312652.9686 287261.9139 264167.4356 394786.3887 88899.23529 331632.1767 130231.0414 545641.2549 175003.5513 N-acetylneuraminate 257001.3558 324583.0814 353799.0454 334385.449 408086.5832 147153.1855 148750.6543 142824.4043 159199.8094 151763.7988 NADP 252741.3968 335548.317 179662.1764 137017.7648 424028.1095 657893.5634 409078.0886 583964.8726 390095.515 584420.4456 nicotinamide 38512142.88 28968163.67 34089372.93 25265360.48 37354209.12 25012249.61 34386210.64 36544145.59 35919256.01 28934535.79 oleoyl glycerol 3959161.719 3494827.777 3134828.293 3497477.595 2931360.847 1152013.01 709934.5413 1647639.499 1795496.31 1071608.17 Oxidized glutathione 1575847.306 1645709.63 2285500.108 1804346.282 1720222.821 911318.3995 993127.6058 906742.7359 698668.0049 999024.5462 Palmitoyl sphingomyelin 84950062.39 92086908.48 112276494.5 99757886.54 100365324.7 140090401.7 146348059.6 112777949.5 122309300.8 102776463.3 pantothenate 26566086.04 29497339.15 31582565.48 27815659.28 30626318.16 17123349.4 18360763.74 16017044.41 16062592.75 14903099.21 phenylalanine 19172372 17052543.09 23179448.5 9296472.47 26032091.72 37142688.32 50247284.1 36548447.66 34829634.28 36585742.18 phosphoethanolamine 35706480.87 39253938.38 43443404.56 38761196.64 41563788.22 47841039.98 50898017.09 44866876.22 46110905.9 42352806.1 phosphorylcholine 449083223.3 484383516.9 512901571.7 438783544.5 492359872.6 2536461729 2674724463 2333915012 2033467347 2228920873 S-(2-succinyl)cysteine 622668.3386 848234.1029 881670.9975 777704.8322 731141.3295 309987.2299 255198.2093 281636.9626 283524.8607 217876.9039 S-(2-Succinyl)glutathione 151840.9389 120186.1221 131566.6323 104045.9697 172329.7217 53887.26324 85402.62827 63003.2235 35875.83299 57626.15846 sarcosine 1019300.54 1103880.397 1263055.179 1146906.106 1342702.613 939045.308 1143946.689 891533.2483 1401706.737 951406.3694 serine 4629627.697 4999334.689 5566429.563 4266935.586 5510395.347 6816245.454 8460912.742 7502567.726 7666935.358 6865840.255 stearate 3045312068 2929666858 2898822801 3236317044 2780417106 1285381766 990174123.1 1391773432 1585099951 1508496387 taurine 287259751.4 317448841.4 352507529.7 299264685.3 339124763.8 151651475.1 182945742.3 154143835.2 180573114.9 167769187.4 Thiamine 1419161.219 1185068.881 1690108.513 477848.2974 1969704.74 297841.3976 1785443.904 390259.2233 1017860.361 1416700.416 threonine 22207282.77 23176347.59 24477851.15 20504912.54 26915756.92 39553340.41 47075194.03 39313505.61 40173134.15 41815473.92 Triethyl phosphate 1585081.196 1697553.377 2342511.187 2241790.501 2154060.283 907990.8409 1077452.094 1035212.99 1022320.98 1325849.358 Triisopropanolamine 12256439.2 21983036.29 11533491.3 10927189.49 9517641.897 3203557.125 6500747.791 5897132.931 18488628.14 5200108.999 tyrosine 1721870.939 1434951.628 2062475.241 944411.1713 2224215.769 4627528.431 5529061.836 4374226.91 4512711.45 4877137.048 urate 439497.9211 1007843.745 1369207.809 610510.4394 787444.6653 351212.2569 462787.3936 153824.7714 318342.2963 123627.2551 xanthine 277193.2585 128226.8408 260803.0865 133606.8084 111988.2421 213367.8948 335852.0509 98534.33964 50209.17703 13789.37024 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Standardized name Formula Pubchem Compound ID KEGG_ID REFMET_ID 2/3-phosphoglycerate_m+0 Phosphoglyceric acid C3H7O7P RM0013474 2/3-phosphoglycerate_m+3 Phosphoglyceric acid C3H7O7P RM0013474 2-hydroxyglutarate_m+0 2-Hydroxyglutaric acid C5H8O5 43 C02630 RM0153554 2-hydroxyglutarate_m+1 2-Hydroxyglutaric acid C5H8O5 43 C02630 RM0153554 2-hydroxyglutarate_m+2 2-Hydroxyglutaric acid C5H8O5 43 C02630 RM0153554 2-hydroxyglutarate_m+3 2-Hydroxyglutaric acid C5H8O5 43 C02630 RM0153554 2-oxoglutarate_m+0 2-Oxoglutaric acid C5H6O5 51 C00026 RM0135911 2-oxoglutarate_m+1 2-Oxoglutaric acid C5H6O5 51 C00026 RM0135911 2-oxoglutarate_m+2 2-Oxoglutaric acid C5H6O5 51 C00026 RM0135911 2-oxoglutarate_m+3 2-Oxoglutaric acid C5H6O5 51 C00026 RM0135911 Acetylcarnitine_m+0 CAR 2:0 C9H17NO4 18230 RM0154009 Acetylcarnitine_m+2 CAR 2:0 C9H17NO4 18230 RM0154009 aconitate_m+0 trans-Aconitic acid C6H6O6 444212 C02341 RM0118176 aconitate_m+1 trans-Aconitic acid C6H6O6 444212 C02341 RM0118176 aconitate_m+2 trans-Aconitic acid C6H6O6 444212 C02341 RM0118176 aconitate_m+3 trans-Aconitic acid C6H6O6 444212 C02341 RM0118176 adenosine_m+0 Adenosine C10H13N5O4 60961 C00212 RM0135870 adenosine_m+5 Adenosine C10H13N5O4 60961 C00212 RM0135870 ADP_m+0 ADP C10H15N5O10P2 6022 C00008 RM0032913 ADP_m+2 ADP C10H15N5O10P2 6022 C00008 RM0032913 ADP_m+3 ADP C10H15N5O10P2 6022 C00008 RM0032913 ADP_m+4 ADP C10H15N5O10P2 6022 C00008 RM0032913 ADP_m+5 ADP C10H15N5O10P2 6022 C00008 RM0032913 Alanine_m+0 Alanine C3H7NO2 5950 C00041 RM0135898 Alanine_m+1 Alanine C3H7NO2 5950 C00041 RM0135898 Alanine_m+2 Alanine C3H7NO2 5950 C00041 RM0135898 Alanine_m+3 Alanine C3H7NO2 5950 C00041 RM0135898 AMP_m+0 AMP C10H14N5O7P 6083 C00020 RM0138921 AMP_m+5 AMP C10H14N5O7P 6083 C00020 RM0138921 aspartate_m+0 Aspartic acid C4H7NO4 5960 C00049 RM0135905 aspartate_m+1 Aspartic acid C4H7NO4 5960 C00049 RM0135905 aspartate_m+2 Aspartic acid C4H7NO4 5960 C00049 RM0135905 aspartate_m+3 Aspartic acid C4H7NO4 5960 C00049 RM0135905 aspartate_m+4 Aspartic acid C4H7NO4 5960 C00049 RM0135905 ATP_m+0 ATP C10H16N5O13P3 5957 C00002 RM0138930 ATP_m+2 ATP C10H16N5O13P3 5957 C00002 RM0138930 ATP_m+3 ATP C10H16N5O13P3 5957 C00002 RM0138930 ATP_m+4 ATP C10H16N5O13P3 5957 C00002 RM0138930 ATP_m+5 ATP C10H16N5O13P3 5957 C00002 RM0138930 ATP_m+6 ATP C10H16N5O13P3 5957 C00002 RM0138930 C3-carnitine_m+0 CAR 3:0 C10H19NO4 188824 C03017 RM0154041 C3-carnitine_m+1 CAR 3:0 C10H19NO4 188824 C03017 RM0154041 C3-carnitine_m+2 CAR 3:0 C10H19NO4 188824 C03017 RM0154041 CDP_m+0 CDP C9H15N3O11P2 6132 C00112 RM0138946 CDP_m+5 CDP C9H15N3O11P2 6132 C00112 RM0138946 CDP-ethanolamine_m+0 CDP-Ethanolamine C11H20N4O11P2 123727 C00570 RM0043519 CDP-ethanolamine_m+2 CDP-Ethanolamine C11H20N4O11P2 123727 C00570 RM0043519 cyclic ADP-ribose_m+0 Cyclic ADP-ribose C15H21N5O13P2 123847 RM0157863 cyclic ADP-ribose_m+5 Cyclic ADP-ribose C15H21N5O13P2 123847 RM0157863 cyclic ADP-ribose_m+10 Cyclic ADP-ribose C15H21N5O13P2 123847 RM0157863 dTTP_m+0 dTTP C10H17N2O14P3 64968 C00459 RM0032432 dTTP_m+5 dTTP C10H17N2O14P3 64968 C00459 RM0032432 Erythronate_m+0 Erythronic acid C4H8O5 2781043 RM0041611 Erythronate_m+1 Erythronic acid C4H8O5 2781043 RM0041611 Erythronate_m+3 Erythronic acid C4H8O5 2781043 RM0041611 Erythronate_m+4 Erythronic acid C4H8O5 2781043 RM0041611 fumarate_m+0 Fumaric acid C4H4O4 444972 C00122 RM0135891 fumarate_m+2 Fumaric acid C4H4O4 444972 C00122 RM0135891 fumarate_m+3 Fumaric acid C4H4O4 444972 C00122 RM0135891 gamma-aminobutyrate_m+0 gamma-Aminobutyric acid C4H9NO2 119 C00334 RM0153263 gamma-aminobutyrate_m+1 gamma-Aminobutyric acid C4H9NO2 119 C00334 RM0153263 gamma-aminobutyrate_m+2 gamma-Aminobutyric acid C4H9NO2 119 C00334 RM0153263 glucose_m+0 Glucose C6H12O6 5793 C00031 RM0135901 glucose_m+5 Glucose C6H12O6 5793 C00031 RM0135901 glucose_m+6 Glucose C6H12O6 5793 C00031 RM0135901 glutamate_m+0 Glutamic acid C5H9NO4 33032 C00025 RM0135893 glutamate_m+1 Glutamic acid C5H9NO4 33032 C00025 RM0135893 glutamate_m+2 Glutamic acid C5H9NO4 33032 C00025 RM0135893 glutamate_m+3 Glutamic acid C5H9NO4 33032 C00025 RM0135893 glutamate_m+4 Glutamic acid C5H9NO4 33032 C00025 RM0135893 glutamine_m+0 Glutamine C5H10N2O3 5961 C00064 RM0012560 glutamine_m+1 Glutamine C5H10N2O3 5961 C00064 RM0012560 glutamine_m+2 Glutamine C5H10N2O3 5961 C00064 RM0012560 glutamine_m+3 Glutamine C5H10N2O3 5961 C00064 RM0012560 glutathione reduced_m+0 Glutathione C10H17N3O6S 124886 C00051 RM0135889 glutathione reduced_m+2 Glutathione C10H17N3O6S 124886 C00051 RM0135889 glutathione reduced_m+3 Glutathione C10H17N3O6S 124886 C00051 RM0135889 glutathione reduced_m+4 Glutathione C10H17N3O6S 124886 C00051 RM0135889 glycerol 3-phosphate_m+0 sn-Glycero-3-phosphate C3H9O6P 439162 C00093 RM0160118 glycerol 3-phosphate_m+1 sn-Glycero-3-phosphate C3H9O6P 439162 C00093 RM0160118 glycerol 3-phosphate_m+3 sn-Glycero-3-phosphate C3H9O6P 439162 C00093 RM0160118 glycerophosphocholine_m+0 sn-Glycero-3-phosphocholine C8H20NO6P 657272 RM0110472 glycerophosphocholine_m+3 sn-Glycero-3-phosphocholine C8H20NO6P 657272 RM0110472 GMP_m+0 GMP C10H14N5O8P 135398631 C00144 RM0033601 GMP_m+5 GMP C10H14N5O8P 135398631 C00144 RM0033601 GTP_m+0 GTP C10H16N5O14P3 135398633 C00044 RM0136084 GTP_m+5 GTP C10H16N5O14P3 135398633 C00044 RM0136084 hexitol_m+0 Sorbitol C6H14O6 5780 C00794 RM0155940 hexitol_m+6 Sorbitol C6H14O6 5780 C00794 RM0155940 hexose phosphate_m+0 - - - - hexose phosphate_m+3 - - - - hexose phosphate_m+6 - - - - IMP_m+0 IMP C10H13N4O8P 135398640 C00130 RM0000534 IMP_m+5 IMP C10H13N4O8P 135398640 C00130 RM0000534 inosine_m+0 Inosine C10H12N4O5 135398641 C00294 RM0135908 inosine_m+5 Inosine C10H12N4O5 135398641 C00294 RM0135908 lactate_m+0 Lactic acid C3H6O3 107689 C00186 RM0135904 lactate_m+1 Lactic acid C3H6O3 107689 C00186 RM0135904 lactate_m+2 Lactic acid C3H6O3 107689 C00186 RM0135904 lactate_m+3 Lactic acid C3H6O3 107689 C00186 RM0135904 malate_m+0 Malic acid C4H6O5 222656 C00149 RM0135894 malate_m+1 Malic acid C4H6O5 222656 C00149 RM0135894 malate_m+2 Malic acid C4H6O5 222656 C00149 RM0135894 malate_m+3 Malic acid C4H6O5 222656 C00149 RM0135894 malate_m+4 Malic acid C4H6O5 222656 C00149 RM0135894 methylthioadenosine_m+0 Methylthioadenosine C11H15N5O3S RM0138708 methylthioadenosine_m+5 Methylthioadenosine C11H15N5O3S RM0138708 N-acetylaspartate_m+0 N-Acetylaspartic acid C6H9NO5 65065 C01042 RM0136005 N-acetylaspartate_m+1 N-Acetylaspartic acid C6H9NO5 65065 C01042 RM0136005 N-acetylaspartate_m+2 N-Acetylaspartic acid C6H9NO5 65065 C01042 RM0136005 N-acetylaspartate_m+3 N-Acetylaspartic acid C6H9NO5 65065 C01042 RM0136005 N-acetylaspartate_m+4 N-Acetylaspartic acid C6H9NO5 65065 C01042 RM0136005 NAD_m+0 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+2 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+5 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+7 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+8 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+9 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+10 NAD C21H27N7O14P2 5892 C00003 RM0133217 NAD_m+11 NAD C21H27N7O14P2 5892 C00003 RM0133217 ornithine_m+0 Ornithine C5H12N2O2 6262 C00077 RM0135912 ornithine_m+2 Ornithine C5H12N2O2 6262 C00077 RM0135912 orotate_m+0 Orotic acid C5H4N2O4 967 C00295 RM0033030 orotate_m+2 Orotic acid C5H4N2O4 967 C00295 RM0033030 orotate_m+3 Orotic acid C5H4N2O4 967 C00295 RM0033030 orotidine_m+0 Orotidine C10H12N2O8 92751 C01103 RM0136002 orotidine_m+2 Orotidine C10H12N2O8 92751 C01103 RM0136002 orotidine_m+3 Orotidine C10H12N2O8 92751 C01103 RM0136002 orotidine_m+4 Orotidine C10H12N2O8 92751 C01103 RM0136002 orotidine_m+5 Orotidine C10H12N2O8 92751 C01103 RM0136002 phosphoenolpyruvate_m+0 Phosphoenolpyruvic acid C3H5O6P 1005 C00074 RM0060576 phosphoenolpyruvate_m+1 Phosphoenolpyruvic acid C3H5O6P 1005 C00074 RM0060576 phosphoenolpyruvate_m+3 Phosphoenolpyruvic acid C3H5O6P 1005 C00074 RM0060576 proline_m+0 Proline C5H9NO2 145742 C00148 RM0135899 proline_m+1 Proline C5H9NO2 145742 C00148 RM0135899 proline_m+2 Proline C5H9NO2 145742 C00148 RM0135899 proline_m+3 Proline C5H9NO2 145742 C00148 RM0135899 proline_m+4 Proline C5H9NO2 145742 C00148 RM0135899 pyroglutamate_m+0 Pyroglutamic acid C5H7NO3 7405 C01879 RM0135924 pyroglutamate_m+1 Pyroglutamic acid C5H7NO3 7405 C01879 RM0135924 pyroglutamate_m+2 Pyroglutamic acid C5H7NO3 7405 C01879 RM0135924 S-adenosylhomocysteine_m+0 S-Adenosylhomocysteine C14H20N6O5S 439155 C00021 RM0136025 S-adenosylhomocysteine_m+5 S-Adenosylhomocysteine C14H20N6O5S 439155 C00021 RM0136025 S-adenosylmethionine_m+0 S-Adenosylmethionine C15H23N6O5S 34756 C00019 RM0138941 S-adenosylmethionine_m+2 S-Adenosylmethionine C15H23N6O5S 34756 C00019 RM0138941 S-adenosylmethionine_m+3 S-Adenosylmethionine C15H23N6O5S 34756 C00019 RM0138941 S-adenosylmethionine_m+4 S-Adenosylmethionine C15H23N6O5S 34756 C00019 RM0138941 S-adenosylmethionine_m+5 S-Adenosylmethionine C15H23N6O5S 34756 C00019 RM0138941 S-adenosylmethionine_m+6 S-Adenosylmethionine C15H23N6O5S 34756 C00019 RM0138941 sedoheptulose 7-phosphate_m+0 Sedoheptulose 7-phosphate C7H15O10P 165007 C05382 RM0155901 sedoheptulose 7-phosphate_m+7 Sedoheptulose 7-phosphate C7H15O10P 165007 C05382 RM0155901 UDP_m+0 UDP C9H14N2O12P2 6031 C00015 RM0135932 UDP_m+2 UDP C9H14N2O12P2 6031 C00015 RM0135932 UDP_m+3 UDP C9H14N2O12P2 6031 C00015 RM0135932 UDP_m+4 UDP C9H14N2O12P2 6031 C00015 RM0135932 UDP_m+5 UDP C9H14N2O12P2 6031 C00015 RM0135932 UDP-GlcNAc_m+0 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+2 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+3 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+4 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+5 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+6 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+7 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+8 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+9 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+10 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+11 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+12 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-GlcNAc_m+13 UDP-N-acetylglucosamine C17H27N3O17P2 445675 C00043 RM0133219 UDP-glucose_m+0 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+1 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+2 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+3 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+4 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+5 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+6 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+8 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucose_m+9 UDP-glucose C15H24N2O17P2 53477679 C00029 RM0135928 UDP-glucuronic acid_m+0 UDP-glucuronic acid C15H22N2O18P2 17473 C00167 RM0157921 UDP-glucuronic acid_m+3 UDP-glucuronic acid C15H22N2O18P2 17473 C00167 RM0157921 UDP-glucuronic acid_m+6 UDP-glucuronic acid C15H22N2O18P2 17473 C00167 RM0157921 UMP_m+0 UMP C9H13N2O9P 6030 C00105 RM0135929 UMP_m+2 UMP C9H13N2O9P 6030 C00105 RM0135929 UMP_m+3 UMP C9H13N2O9P 6030 C00105 RM0135929 UMP_m+4 UMP C9H13N2O9P 6030 C00105 RM0135929 UMP_m+5 UMP C9H13N2O9P 6030 C00105 RM0135929 UTP_m+0 UTP C9H15N2O15P3 6133 C00075 RM0160877 UTP_m+2 UTP C9H15N2O15P3 6133 C00075 RM0160877 UTP_m+3 UTP C9H15N2O15P3 6133 C00075 RM0160877 UTP_m+5 UTP C9H15N2O15P3 6133 C00075 RM0160877 argininosuccinate Argininosuccinic acid C10H18N4O6 16950 C03406 RM0135871 C4-carnitine CAR 4:0 C11H21NO4 213144 C02862 RM0153847 carbamoylaspartate Carbamoylaspartate C5H8N2O5 93072 C00438 RM0037601 dihydroorotate "4,5-Dihydroorotic acid" C5H6N2O4 1149667 RM0132232 gamma-glutamylglycine gamma-Glutamylglycine C7H12N2O5 165527 RM0043089 Hexadecanoylcarnitine CAR 16:0 C23H45NO4 11953816 C02990 RM0153848 Hydroxybutyrylcarnitine CAR 4:0;OH C11H21NO5 RM0154193 N-acetylglutamate N-Acetylglutamic acid C7H11NO5 70914 C00624 RM0136738 N-acetylglutamine N-Acetylglutamine C7H12N2O4 182230 RM0138125 palmitate Palmitic acid C16H32O2 985 C00249 RM0153571 pentose phosphate_m+5 - - - - uridine Uridine C9H12N2O6 6029 C00299 RM0135933 4-hydroxyphenyllactate 4-Hydroxyphenyllactic acid C9H10O4 9378 C03672 RM0044554 4-hydroxyproline cis-4-Hydroxyproline C5H9NO3 440015 C01015 RM0021808 Acetyl-beta-methylcholine Methacholine C8H18NO2 1993 C07471 RM0042762 acetyl-CoA Acetyl-CoA C23H38N7O17P3S 444493 C00024 RM0073686 acetylserine O-Acetylserine C5H9NO4 99478 C00979 RM0012948 ADP-Ribose ADP-ribose C15H23N5O14P2 33576 C00301 RM0156418 anserine Anserine C10H16N4O3 112072 C01262 RM0135907 arachidate Arachidic acid C20H40O2 10467 C06425 RM0137828 arginine Arginine C6H14N4O2 6322 C00062 RM0135963 asparagine Asparagine C4H8N2O3 6267 C00152 RM0135724 beta-alanine beta-Alanine C3H7NO2 239 C00099 RM0021629 betaine Betaine C5H11NO2 247 RM0135869 C5-carnitine CAR 5:0 C12H23NO4 53481619 RM0154185 carbamoylphosphate Carbamoylphosphate CH4NO5P 278 C00169 RM0136057 Choline Choline C5H14NO 305 C00114 RM0028739 citicoline CDP-choline C14H26N4O11P2 13804 C00307 RM0136097 CMP CMP C9H14N3O8P 6131 C00055 RM0138923 Coenzyme A Coenzyme A C21H36N7O16P3S 87642 C00010 RM0157849 creatine Creatine C4H9N3O2 586 C00300 RM0135876 creatinine Creatinine C4H7N3O 137319715 C00791 RM0028430 cytidine Cytidine C9H13N3O5 6175 C00475 RM0138922 cytosine Cytosine C4H5N3O 597 C00380 RM0050550 decanoate Capric acid C10H20O2 2969 C01571 RM0153468 deoxycarnitine 3-Dehydroxycarnitine C7H15NO2 725 C01181 RM0136342 DHAP/G3P - - - - docosanoate Behenic acid C22H44O2 8215 C08281 RM0153577 gluconate Gluconic acid C6H12O7 10690 C00257 RM0155944 glycine Glycine C2H5NO2 750 C00037 RM0135888 guanidineacetate - - - - heptadecanoate Margaric acid C17H34O2 10465 RM0149933 hexosamine phosphate Glucosamine 6-phosphate C6H14NO8P 439217 C00352 RM0136090 histidine Histidine C6H9N3O2 6274 C00135 RM0129894 hydroxystearate - - - - hypoxanthine Hypoxanthine C5H4N4O 135398638 C00262 RM0135895 Indole-3-acrylate Indoleacrylic acid C11H9NO2 15030923 C21283 RM0135983 Inositol Inositol C6H12O6 RM0004841 isoleucine Isoleucine C6H13NO2 6306 C00407 RM0134975 laurate Lauric acid C12H24O2 3893 C02679 RM0149943 L-Cartinine Carnitine C7H15NO3 10917 C00487 RM0008606 leucine Leucine C6H13NO2 6106 C00123 RM0136379 lysine Lysine C6H14N2O2 5962 C00047 RM0135903 methionine Methionine C5H11NO2S 6137 C00073 RM0161726 methionine sulfoxide Methionine sulfoxide C5H11NO3S 10062737 RM0050489 myristate Myristic acid C14H28O2 11005 C06424 RM0153483 N,N-dimethylarginine Dimethylarginine C8H18N4O2 123831 C03626 RM0131870 N6,N6,N6-Trimethyllysine N-6-Trimethyllysine C9H20N2O2 440120 C03793 RM0009124 N-acetylarginine N-Acetylarginine C8H16N4O3 67427 RM0132228 N-acetylaspartylglutamate N-Acetyl-Asp-Glu C11H16N2O8 71120 C12270 RM0027165 N-acetylhistidine N-Acetylhistidine C8H11N3O3 75619 C02997 RM0132177 N-acetylneuraminate N-Acetylneuraminic acid C11H19NO9 445063 C19910 RM0135920 NADP NADP C21H28N7O17P3 5885 C00006 RM0133216 nicotinamide Niacinamide C6H6N2O 936 C00153 RM0156450 oleoyl glycerol MG 18:1 C21H40O4 RM0008643 Oxidized glutathione Oxidized glutathione C20H32N6O12S2 65359 C00127 RM0139022 Palmitoyl sphingomyelin SM 18:1;O2/16:0 C39H79N2O6P 9939941 RM0135543 pantothenate Pantothenic acid C9H17NO5 6613 RM0136730 phenylalanine Phenylalanine C9H11NO2 6140 C00079 RM0135897 phosphoethanolamine Phosphoethanolamine C2H8NO4P 1015 C00346 RM0060581 phosphorylcholine Choline phosphate C5H14NO4P 135437 RM0007522 S-(2-succinyl)cysteine - - - - S-(2-Succinyl)glutathione S-Succinylglutathione C14H21N3O9S 439932 RM0132201 sarcosine Sarcosine C3H7NO2 1088 C00213 RM0135925 serine Serine C3H7NO3 5951 C00065 RM0032433 stearate Stearic acid C18H36O2 5281 C01530 RM0153574 taurine Taurine C2H7NO3S 1123 C00245 RM0118223 Thiamine Thiamine C12H17N4OS 1130 C00378 RM0135917 threonine Threonine C4H9NO3 6288 C00188 RM0135900 Triethyl phosphate Triethyl phosphate C6H15O4P 6535 RM0118200 Triisopropanolamine - - - - tyrosine Tyrosine C9H11NO3 6057 C00082 RM0135896 urate Uric acid C5H4N4O3 1175 C00366 RM0160856 xanthine Xanthine C5H4N4O2 1188 C00385 RM0135930 METABOLITES_END #END