#METABOLOMICS WORKBENCH my265_20211029_090009 DATATRACK_ID:2912 STUDY_ID:ST001986 ANALYSIS_ID:AN003237 PROJECT_ID:PR001262 VERSION 1 CREATED_ON November 5, 2021, 8:30 am #PROJECT PR:PROJECT_TITLE Fbxo7 promotes Cdk6 activity to inhibit PFKP and glycolysis in T cells PR:PROJECT_TYPE T cell biology PR:PROJECT_SUMMARY Deregulated Fbxo7 expression is associated with many pathologies, including PR:PROJECT_SUMMARY anaemia, male sterility, cancer, and Parkinson’s disease, demonstrating its PR:PROJECT_SUMMARY critical role in a variety of cell types. Although Fbxo7 is an F-box protein PR:PROJECT_SUMMARY that recruits substrates for SCF-type E3 ubiquitin ligases, it also promotes the PR:PROJECT_SUMMARY formation of cyclin D/Cdk6/p27 complexes in an E3-ligase independent fashion. We PR:PROJECT_SUMMARY discovered PFKP, the major gatekeeper of glycolysis, in a screen for Fbxo7 PR:PROJECT_SUMMARY substrates. PFKP has been previously shown to be a critical substrate of Cdk6 PR:PROJECT_SUMMARY for the viability of T-ALL cells experiencing high levels of reactive oxygen PR:PROJECT_SUMMARY species. We investigated the molecular relationships between Fbxo7, Cdk6 and PR:PROJECT_SUMMARY PFKP, and the functional effect Fbxo7 has on T cell metabolism, viability, and PR:PROJECT_SUMMARY activation. Fbxo7 promotes Cdk6-independent ubiquitination and Cdk6-dependent PR:PROJECT_SUMMARY phosphorylation of PFKP. Importantly Fbxo7-deficient cells have reduced Cdk6 PR:PROJECT_SUMMARY activity, and haematopoietic and lymphocytic cell lines show a significant PR:PROJECT_SUMMARY dependency on Fbxo7. CD4+ T cells with reduced Fbxo7 have increased glycolysis, PR:PROJECT_SUMMARY and lower cell viability and activation levels. Metabolomic studies of activated PR:PROJECT_SUMMARY CD4+ T cells confirm increased glycolytic flux in Fbxo7-deficient cells, as well PR:PROJECT_SUMMARY as altered nucleotide biosynthesis and arginine metabolism. We show Fbxo7 PR:PROJECT_SUMMARY expression is glucose-responsive, and we propose Fbxo7 inhibits PFKP and PR:PROJECT_SUMMARY glycolysis via its activation of Cdk6. PR:INSTITUTE University of Cambridge PR:DEPARTMENT Department of Pathology PR:LABORATORY Laman Lab PR:LAST_NAME Heike PR:FIRST_NAME Laman PR:ADDRESS Tennis Court Road, Cambridge CB2 1QP, UK PR:EMAIL hl316@cam.ac.uk PR:PHONE +44 (0)1223 333722 PR:CONTRIBUTORS Rebecca Harris, Ming Yang, Christina Schmidt, Sarbjit Singh, Amarnath Natarajan, PR:CONTRIBUTORS Christian Frezza, and Heike Laman #STUDY ST:STUDY_TITLE Fbxo7 promotes Cdk6 activity to inhibit PFKP and glycolysis in T cells ST:STUDY_SUMMARY Deregulated Fbxo7 expression is associated with many pathologies, including ST:STUDY_SUMMARY anaemia, male sterility, cancer, and Parkinson’s disease, demonstrating its ST:STUDY_SUMMARY critical role in a variety of cell types. Although Fbxo7 is an F-box protein ST:STUDY_SUMMARY that recruits substrates for SCF-type E3 ubiquitin ligases, it also promotes the ST:STUDY_SUMMARY formation of cyclin D/Cdk6/p27 complexes in an E3-ligase independent fashion. We ST:STUDY_SUMMARY discovered PFKP, the major gatekeeper of glycolysis, in a screen for Fbxo7 ST:STUDY_SUMMARY substrates. PFKP has been previously shown to be a critical substrate of Cdk6 ST:STUDY_SUMMARY for the viability of T-ALL cells experiencing high levels of reactive oxygen ST:STUDY_SUMMARY species. We investigated the molecular relationships between Fbxo7, Cdk6 and ST:STUDY_SUMMARY PFKP, and the functional effect Fbxo7 has on T cell metabolism, viability, and ST:STUDY_SUMMARY activation. Fbxo7 promotes Cdk6-independent ubiquitination and Cdk6-dependent ST:STUDY_SUMMARY phosphorylation of PFKP. Importantly Fbxo7-deficient cells have reduced Cdk6 ST:STUDY_SUMMARY activity, and haematopoietic and lymphocytic cell lines show a significant ST:STUDY_SUMMARY dependency on Fbxo7. CD4+ T cells with reduced Fbxo7 have increased glycolysis, ST:STUDY_SUMMARY and lower cell viability and activation levels. Metabolomic studies of activated ST:STUDY_SUMMARY CD4+ T cells confirm increased glycolytic flux in Fbxo7-deficient cells, as well ST:STUDY_SUMMARY as altered nucleotide biosynthesis and arginine metabolism. We show Fbxo7 ST:STUDY_SUMMARY expression is glucose-responsive, and we propose Fbxo7 inhibits PFKP and ST:STUDY_SUMMARY glycolysis via its activation of Cdk6. ST:INSTITUTE University of Cambridge ST:DEPARTMENT Department of Pathology ST:LABORATORY Laman Lab ST:LAST_NAME Laman ST:FIRST_NAME Heike ST:ADDRESS Tennis Court Road, Cambridge CB2 1QP, UK. ST:EMAIL hl316@cam.ac.uk ST:PHONE +44 (0)1223 333722 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN Fbxo7LacZ mice (Fbxo7tm1a(EUCOMM)Hmgu on a C57BL/6J background) were bred as SU:GENOTYPE_STRAIN heterozygous crosses SU:AGE_OR_AGE_RANGE WT, heterozygous and homozygous littermates were harvested between 6-9 weeks. SU:GENDER Male and female SU:SUBJECT_COMMENTS All experiments in mice were performed in accordance with the UK Animals SU:SUBJECT_COMMENTS (Scientific Procedures) Act 1986 and ARRIVE guidelines. Animal licences were SU:SUBJECT_COMMENTS approved by the Home Office and the University of Cambridge's Animal Welfare & SU:SUBJECT_COMMENTS Ethical Review Body Standing Committee. Experiments were performed under Home SU:SUBJECT_COMMENTS Office licence PPL 70/9001. #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 - RH2-01 Sample groups:Wild type | Treatment:unlabelled RAW_FILE_NAME=RH2-01; Replicate=1 SUBJECT_SAMPLE_FACTORS - RH2-02 Sample groups:Wild type | Treatment:unlabelled RAW_FILE_NAME=RH2-02; Replicate=2 SUBJECT_SAMPLE_FACTORS - RH2-03 Sample groups:Wild type | Treatment:unlabelled RAW_FILE_NAME=RH2-03; Replicate=3 SUBJECT_SAMPLE_FACTORS - RH2-04 Sample groups:Wild type | Treatment:unlabelled RAW_FILE_NAME=RH2-04; Replicate=4 SUBJECT_SAMPLE_FACTORS - RH2-05 Sample groups:Wild type | Treatment:unlabelled RAW_FILE_NAME=RH2-05; Replicate=5 SUBJECT_SAMPLE_FACTORS - RH2-06 Sample groups:Wild type | Treatment:unlabelled RAW_FILE_NAME=RH2-06; Replicate=6 SUBJECT_SAMPLE_FACTORS - RH2-07 Sample groups:Mutant | Treatment:unlabelled RAW_FILE_NAME=RH2-07; Replicate=1 SUBJECT_SAMPLE_FACTORS - RH2-08 Sample groups:Mutant | Treatment:unlabelled RAW_FILE_NAME=RH2-08; Replicate=2 SUBJECT_SAMPLE_FACTORS - RH2-09 Sample groups:Mutant | Treatment:unlabelled RAW_FILE_NAME=RH2-09; Replicate=3 SUBJECT_SAMPLE_FACTORS - RH2-10 Sample groups:Mutant | Treatment:unlabelled RAW_FILE_NAME=RH2-10; Replicate=4 SUBJECT_SAMPLE_FACTORS - RH2-11 Sample groups:Mutant | Treatment:unlabelled RAW_FILE_NAME=RH2-11; Replicate=5 SUBJECT_SAMPLE_FACTORS - RH2-12 Sample groups:Mutant | Treatment:unlabelled RAW_FILE_NAME=RH2-12; Replicate=6 #COLLECTION CO:COLLECTION_SUMMARY Spleens were harvested from WT, heterozygous or homozygous Fbxo7LacZ mice and CO:COLLECTION_SUMMARY processed to a single cell suspension. For n=2 of Fig. 3E, cells were incubated CO:COLLECTION_SUMMARY in RBC lysis buffer (eBioscience) for 5 minutes prior to centrifugation. For all CO:COLLECTION_SUMMARY other data, viable lymphocytes were separated with mouse Lympholyte® Cell CO:COLLECTION_SUMMARY Separation Media (Cedarlane Labs). CD4+ T cells were then isolated by negative CO:COLLECTION_SUMMARY selection using the MojoSort Mouse CD4 T Cell Isolation Kit (Biolegend). CO:COLLECTION_SUMMARY Isolated CD4+ T cells were seeded at 1x106/mL in RPMI supplemented with 10% FBS, CO:COLLECTION_SUMMARY 100 U/mL penicillin and streptomycin and 5 µM β-mercaptoethanol. To activate, CO:COLLECTION_SUMMARY cells were added to plates coated with 2 µg/mL α-CD3 (clone 145-2C11) and CO:COLLECTION_SUMMARY containing 2 µg/mL soluble α-CD28 (clone 37.51) and incubated for the CO:COLLECTION_SUMMARY indicated duration. Cell viability and activation were measured by flow CO:COLLECTION_SUMMARY cytometry by staining with antibodies to CD4-PE (clone GK1.5), CD25-PE/Cy7 CO:COLLECTION_SUMMARY (clone PC61), CD69-FITC (clone H1.2F3) and an eFluor™ 780 fixable viability CO:COLLECTION_SUMMARY dye (eBioscience) for 30 min at 4oC in the dark. Samples were analysed on a CO:COLLECTION_SUMMARY CytoFLEX S flow cytometer. CO:SAMPLE_TYPE T-cells #TREATMENT TR:TREATMENT_SUMMARY To activate, cells were added to plates coated with 2 µg/mL α-CD3 (clone TR:TREATMENT_SUMMARY 145-2C11) and containing 2 µg/mL soluble α-CD28 (clone 37.51) and incubated TR:TREATMENT_SUMMARY for the indicated duration. Cell viability and activation were measured by flow TR:TREATMENT_SUMMARY cytometry by staining with antibodies to CD4-PE (clone GK1.5), CD25-PE/Cy7 TR:TREATMENT_SUMMARY (clone PC61), CD69-FITC (clone H1.2F3) and an eFluor™ 780 fixable viability TR:TREATMENT_SUMMARY dye (eBioscience) for 30 min at 4oC in the dark. Samples were analysed on a TR:TREATMENT_SUMMARY CytoFLEX S flow cytometer. For metabolite profiling (Fig. 4C & Supplementary TR:TREATMENT_SUMMARY Fig. 3C), murine CD4+ T cells were isolated and activated in a 12 well plate for TR:TREATMENT_SUMMARY 48 hours. For 13C stable isotope tracing (Fig. 4D), murine CD4+ T cells were TR:TREATMENT_SUMMARY isolated and activated in a 12 well plate with culture media containing 2g/L TR:TREATMENT_SUMMARY D-Glucose-1,2-13C2 (Sigma) for 24 hours. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To extract metabolites, cells were harvested, washed twice in PBS and SP:SAMPLEPREP_SUMMARY resuspended in 200 μL ice cold metabolite extraction solution (50% LC–MS SP:SAMPLEPREP_SUMMARY grade methanol, 30% LC-MS grade acetonitrile, 20% ultrapure water, 5 μM SP:SAMPLEPREP_SUMMARY valine-d8 as internal standard) per 1x106 cells. Cells were incubated in a dry SP:SAMPLEPREP_SUMMARY ice-methanol bath for 20 min, then at 4oC with shaking for 15 min. Samples were SP:SAMPLEPREP_SUMMARY centrifuged at 13000 rpm for 20 min and the supernatant was collected into SP:SAMPLEPREP_SUMMARY autosampler vials for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC-MS chromatographic separation of 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°C, CH:CHROMATOGRAPHY_SUMMARY 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. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) #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 The mass spectrometer was operated in full-scan, polarity-switching mode, with MS:MS_COMMENTS the spray voltage set to +4.5 kV/-3.5 kV, the heated capillary held at 320°C, MS:MS_COMMENTS and the auxiliary gas heater held at 280°C. The sheath gas flow was set to 25 MS:MS_COMMENTS units, the auxiliary gas flow was set to 15 units, and the sweep gas flow was MS:MS_COMMENTS set to 0 units. HRMS data acquisition was performed in a range of m/z = MS:MS_COMMENTS 70–900, with the resolution set at 70,000, the AGC target at 1x106, and the MS:MS_COMMENTS maximum injection time (Max IT) at 120 ms. Metabolite identities were confirmed MS:MS_COMMENTS using two parameters: (1) precursor ion m/z was matched within 5 ppm of MS:MS_COMMENTS theoretical mass predicted by the chemical formula; (2) the retention time of MS:MS_COMMENTS metabolites was within 5% of the retention time of a purified standard run with MS:MS_COMMENTS the same chromatographic method. Chromatogram review and peak area integration MS:MS_COMMENTS were performed using the Thermo Fisher software Tracefinder (v.5.0). Correction MS:MS_COMMENTS for natural abundance was performed using the Accucor Package (v.0.2.3) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS arbitrary unit MS_METABOLITE_DATA_START Samples RH2-01 RH2-02 RH2-03 RH2-04 RH2-05 RH2-06 RH2-07 RH2-08 RH2-09 RH2-10 RH2-11 RH2-12 Factors Sample groups:Wild type | Treatment:unlabelled Sample groups:Wild type | Treatment:unlabelled Sample groups:Wild type | Treatment:unlabelled Sample groups:Wild type | Treatment:unlabelled Sample groups:Wild type | Treatment:unlabelled Sample groups:Wild type | Treatment:unlabelled Sample groups:Mutant | Treatment:unlabelled Sample groups:Mutant | Treatment:unlabelled Sample groups:Mutant | Treatment:unlabelled Sample groups:Mutant | Treatment:unlabelled Sample groups:Mutant | Treatment:unlabelled Sample groups:Mutant | Treatment:unlabelled 2/3-phosphoglycerate 16404287.35 18365226.03 12136876.68 10510381.05 12990189.99 16607432.85 13242114.65 28649397.35 25802131.34 19797619.47 18292248.51 12758558.58 2-hydroxyglutarate 127159805.2 117942117.5 115897387.2 103794265.3 109290587.4 108916809 61212089.41 95515251.52 106726224 109214181.5 112694670.6 90016010.5 2-ketoglutarate 197109190.7 215614156.1 205643387.6 180453142.7 187792511.2 197830678.4 74923027.17 142418813.9 171541292 174439822.4 179409111 124543735.8 3-phosphoserine 6499988.888 5980873.163 6072155.282 4563740.602 5270114.807 6233391.013 3593402.282 5762453.303 6740123.471 7807920.718 5104551.363 3676423.831 4-guanidinobutanoate 77163958.52 77505004.51 79143722.06 66442052.7 69355507.42 76737727.01 109110490 178026400.5 201267502 197232640 203201481.2 156221078.4 5-aminoimidazole ribonucleotide 367949.799 1279106.436 737609.6802 407814.5397 951767.9135 1287607.414 285656.9285 756805.0487 990563.1772 1526825.923 944228.1016 501021.203 acetylcarnitine 222525320.5 248545510.5 253065970.5 214656501.5 215234604.2 241551141.3 105077079.3 173713076.1 194703868.9 196957264.8 193546150.7 149923202.3 acetylcholine 93582859.22 96150253.21 98752348.59 81102945.96 83238936.69 90086865.61 33939499.87 55491590.89 62965585.18 67562112.41 61898162.27 46001625.77 aconitate 112417414.9 112110332.6 109788687.3 92557667.23 94536922.37 103566596.7 35764263.84 72749256.66 86130894.27 77750641.79 76586366 60736393.58 adenosine 6549530.918 13816583.66 10032429.78 10067826.07 15740545.24 17222682.27 49720283.15 23713608.89 19170325.92 33596767.14 22505724.15 22291267.39 ADP 114844268.8 110709530.5 108265266 98609939.03 105533893.6 109450486.5 64930710.23 79949743.14 89392840.17 98900261.07 94017070.86 71975759.72 ADP-glucose 907175.5375 924754.8861 830715.1514 729131.6298 836939.5045 905401.6286 516372.1281 880426.5165 901070.242 1007942.33 1005975.608 787798.7691 ADP-ribose 890132.2309 1371866.197 1257210.501 1032602.203 1228615.928 1345146.855 1228347.98 1213906.48 1215992.694 1491138.037 1126579.126 1080726.289 Alanine 106698934.5 108036349.1 116137794.7 95305509.39 99379835.86 106340451.3 43131424.31 80461606.43 89094583.24 94896842.06 92479129.84 63981795.37 AMP 31465131.77 36572987.82 32240674.1 30105188.96 32651444.81 33429995.67 27906742.06 30830868.73 31197489.84 37212189.05 31144063.15 26491707.82 Arginine 2131411986 2128953296 2223673061 1978431600 2108622921 2231746259 1286942924 1889282820 1891684007 2057889212 2174085141 1772378868 argininosuccinate 6725310.242 6361945.707 6609289.828 5775654.821 6001427.021 6510936.555 1672880.573 4221914.455 4658345.456 4987169.385 5913549.265 3607808.924 asparagine 201767811.9 203381490.7 216815979.5 175325643.9 182311143 194885192 88973440.08 159419956.5 169615634.2 173631874.9 159946171.8 122179792.9 aspartate 1767317860 1730387328 1761413435 1594190378 1643210530 1715662305 1023812957 1353032188 1404357895 1459927084 1393445436 1167615796 ATP 286132229.4 248370891.3 250719884.8 221543239.9 232298782.4 252621842.5 109658979.9 177137456.8 204971395.7 204293153.2 213670293.7 135560449.9 beta-alanine 95932686.73 89184837.88 95351328.89 82033953.93 80792696.15 88153774.87 40224758.68 74055119.3 73287128.88 75137292.82 69966126.63 54404117.4 beta-citrylglutamate 253633.0818 365225.9731 246475.3419 167845.0436 177763.2106 230133.8278 30802.51021 84594.84308 109816.9884 99331.97458 96967.77004 79804.50023 betaine 3037997362 3009852203 3158898666 2517549900 2622552396 2883037853 728722067.6 1296392422 1466895847 1533972205 1424502536 1010634348 cAMP 396950.6999 853270.1079 689483.5808 495189.3388 676135.6693 825724.1055 853783.8979 1366149.469 1015747.864 1460916.776 1130023.658 824936.6942 carnitinamide 7177181.479 9438237.727 7879328.531 7846718.774 7742263.16 8471837.998 3871159.501 6949285.361 7173113.01 9126461.29 7326492.433 6286977.221 carnitine 637816581.3 642406959.1 658351700.7 537622389.4 555388111.6 599487563.3 244563867.6 394789781.8 441459933.6 473744383.2 433441291.9 313247375.1 carnitine C16 3453808.458 8179543.25 5441175.866 4706207.362 4447657.805 4590721.727 5982144.96 5414218.818 6112301.339 6094078.808 6685590.525 5741688.954 carnitine C4 100422601.7 98104003.61 98484325.38 80301787.39 81949173.94 90187314.95 34429974.57 58535481.96 63476123.67 68225049.02 63456315.35 48218435.49 carnitine C5 14872367.76 14628134.15 17527201.33 13258524.71 13669455.76 13773027.14 15353983.51 12718864.09 12490406.37 13374118.1 13592179.92 11299660.09 carnitine C6 6293690.951 5745273.398 8363621.448 6439624.992 5768609.124 5876121.598 8391597.683 7007218.329 6996412.66 7905248.151 6521755.66 6248020.424 carnitine C8 1442925.74 1870304.945 1469814.675 1513527.518 1472041.64 1444052.877 2177303.467 1659254.62 1423936.653 2257365.601 1277246.046 1407140.229 carnosine 4407228.937 4368967.859 4132322.694 3693275.068 3811236.76 4625876.769 852349.9456 5755421.617 2850753.747 2453941.319 2753812.536 1819743.625 CDP 11212956.19 10245676.38 9622523.035 9343482.409 9990851.38 10404422.43 4390675.555 5793696.778 6778035.624 7900002.352 7800999.351 5367459.577 choline 256556494 291087331.7 346221805.3 262590065.5 280750050.6 317886094.3 272383045 381731291.7 418859521.2 473222884.5 392404790.2 283367603.3 citrate 4103561295 3416510634 3232707896 3242505732 3148734252 3564185051 1988533376 2541549747 2819255394 2689936268 2853856884 2237487129 citrulline 15908963.41 9030904.342 9332001.213 8218786.088 7767744.462 8748956.633 9761573.693 17821569.15 24673927.48 22291342.29 22981122.9 14453240.15 CMP 3003963.64 3288915.266 2841729.59 2765270.53 2814346.496 2760836.784 1298053.126 1648783.716 1887870.431 2020183.965 2173051.52 1485495.881 CMP-acetylneuraminate 3048501.35 2966128.215 2972340.79 2220339.043 2627944.452 2812280.399 1153471.198 2571805.809 3106728.151 3058717.939 3165546.119 2226576.94 creatine 1322974324 1589680304 1733696385 1423537278 1414868808 1557348776 837503391.7 1316853350 1385349042 1501502818 1573358420 1178357329 creatinine 301864863.7 287684362.5 278214603.8 239002433.9 246696360.2 264571872.5 132628314.9 270478974.8 257338854 257661719.8 253377127.7 184975741.8 CTP 24824882.5 21372879.95 20552537.6 18347596.7 19064142.47 21704732.86 7125510.711 11437040.62 14011079.21 13778310.63 14421558.02 8384679.233 cyclic ADP-ribose 11595479.21 10670902.97 10526611.05 9125510.625 9770628.162 10534764.59 4489042.062 8051382.338 8780241.386 9046632.347 9576366.434 6731759.89 cysteinylglycine 3762909.299 3562444.764 3369210.541 3233122.335 3430881.4 3916914.474 1945978.354 3016717.426 4027625.143 3562903.264 3838673.193 2615779.496 cystine 1037554.984 380200.0624 435124.0159 341382.9651 554640.0901 569958.1474 434883.7602 1718340.931 1084155.054 1058606.388 1617939.906 1060347.022 deoxyribose 5-phosphate 2651878.534 2610802.241 2461020.957 2188767.305 2303389.375 2408224.293 938702.9262 2057767.388 2187552.943 2200146.586 2375241.666 1614761.339 dihydroorotate 3187721.384 3872658.485 4048201.528 3462429.904 3249620.538 4096238.633 1922589.883 4073086.088 4583183.671 5250658.844 5006660.443 3607342.786 dihydroxyacetone phosphate 3427669.953 2917850.887 2163227.713 1892132.519 2914916.314 3064487.865 2455187.638 4721878.975 5308536.97 6319797.025 6760318.715 3466396.04 dimethylarginine 19163517.75 19680985.7 20427746.66 17893935.48 19164850.7 20029470.75 7407239.762 14592334.75 15544032.83 15637865.03 16419684.42 11330893.34 dimethyllysine 1202806.158 1288540.821 1179669.132 882487.0853 1278057.595 1137500.627 249385.8006 691350.5932 946673.8466 883757.0626 745649.2346 381700.8947 dTTP 2273055.171 2068788.76 2009249.327 1837786.718 1768741.356 2216714.383 263361.4001 1009033.156 1400489.843 1177780.299 1415553.83 810313.8466 fructose bisphosphate 2247484.602 2135609.234 1277469.309 1637080.323 1892288.459 1991232.353 968775.8077 1748424.123 2106074.63 2485868.53 2241764.316 822232.8824 fumarate 54292942.52 67019112.84 53088396.17 50894921.31 54867918.28 54916128.97 20530078.85 40374061.31 47520321.36 52353548.65 53017497.84 36853528.83 gamma-glutamylcysteine 252930.7122 177867.9389 213169.1457 126106.2124 190647.0116 172516.5327 174655.4879 353412.791 469924.3586 487730.2355 461532.0052 288966.2562 GDP 10203143.21 8798449.921 8835349.584 8237383.647 8855300.296 9456976.265 4729383.269 6141904.06 7061718.441 8089033.151 7806095.58 4843651.486 gluconate 21395149.59 19927230.11 20300390.77 18029220.25 18371271.09 19302271.09 18328694.91 25845556.24 29045777.92 29220173.9 30059389.67 23988933.62 glucose 8685429.307 6001585.913 6287573.531 6387383.125 6989750.817 6701723.757 8563635.957 12479021.61 10440350.05 10216995.66 13783463.68 13323416.75 glucuronate 2486299.978 2454852.621 2717620.474 2286021.81 2287355.986 2455150.839 2297912.247 3112779.882 3207975.743 3075340.877 2948765.073 2860151.694 glutamate 3745583843 3633480109 3748761905 3317123070 3252905610 3421401260 2121278593 3137047990 3274174433 3359376257 3193340723 2631438035 glutamine 2340758963 2369255408 2581411183 2013455354 2137696470 2393622414 1679398870 2364024764 2483707024 2712771773 2498165815 1819324703 glutathione oxidized 833757.0374 1025114.089 1121148.326 724052.7109 812186.6192 998715.9725 434505.924 875262.0356 852739.6447 953176.5826 1021702.128 806765.291 glutathione reduced 703469791.4 705849068 691926068.9 585846392.5 633193104.7 687046423.3 374433140.3 615527752.1 697163393 722540433.6 713403750.3 508550513.6 glyceraldehyde 3-phosphate 7554335.886 7039163.658 7170023.942 6573796.756 5872681.461 6098056.655 1753099.273 5022526.213 5752895.283 5586900.838 6667874.829 4976170.605 glycerol 3-phosphate 2400558.425 2468476.203 2109243.71 1768948.854 3076510.009 2117495.89 1182120.34 1954442.529 2293087.33 2436091.065 2445621.318 1685619.787 glycerophosphocholine 1798252376 1765374001 1953338057 1448247100 1583125250 1706472836 1516283820 2361354306 2659912235 2892116076 2690121520 1849872993 glycerophosphoethanolamine 8619699.108 8991772.125 10630133.56 5718591.875 8012553.191 8473519.81 4723200.926 8563800.999 10764141.49 10670618.42 10014352.76 7242251.806 glycerophosphoinositol 18690477.75 22901840.48 19736928.23 18691001.84 20659610.75 19784652.18 2909440.444 5315063.709 8520554.803 9201817.671 7227030.523 5921027.525 Glycine 8073022.176 7551673.565 8377277.548 7260403.597 8802012.85 7072054.247 3002112.246 5878241.358 5914753.958 6201277.531 5617439.041 4551690.911 GMP 2478550.551 2532270.899 2498922.947 2348453.862 2327381.94 2641853.891 1454797.221 1691270.354 2065249.825 2330583.659 2153934.948 1567606.092 GTP 15790677.73 13288230.74 12721282.63 12432104.98 13126419.66 13763496.72 6505157.953 8896766.734 10501410.78 10660664.37 10898471.15 6092661.641 guanidinoacetate 26198387.65 25030138.89 27225580.73 24078588.72 21582385.8 24211024.49 17727709.16 33517890.93 36737040.29 36645075.34 35606321.25 27204012.18 hexosamine 1959998.986 797185.2868 1082620.133 2207195.444 5637545.421 1280456.319 2224215.013 1879211.555 1442606.064 4313348.843 9604417.939 8124961.944 hexosamine phosphate 458218.9133 445675.39 442484.4437 355555.3622 357561.5799 371123.1086 38931.74211 269667.617 406489.381 361245.0158 410536.1984 151131.564 hexose phosphates 11046294.03 13387878.87 9629192.1 8434439.65 8914261.227 11360274.35 6484852.526 13709080.94 13189035.37 11122990.66 9854418.816 6674498.913 histidine 330847770.6 349015299.1 383476388.7 326300950.7 332302895.8 364008760.8 196032788.8 343687601.2 363046170.6 398418769.6 409460367.4 315034491.2 homoarginine 5675491.305 5609436.425 6146635.991 5289839.251 5500110.596 5890305.639 2729866.514 4225024.607 4536504.105 5087271.341 5299919.22 4234197.877 hydroxyphenyllactate 4647672.903 4362711.474 4856918.713 3858644.072 3818629.857 4410515.513 1908083.472 3524144 3786375.98 3822907.18 3683531.773 2639797.524 hydroxyproline 2548686500 2536028227 2713435256 2244578046 2300023284 2476852251 1182958924 1958201564 2129724003 2262395597 2162303180 1577951169 hypotaurine 14172627.4 13907283.24 14287591.65 12328977.03 12882975.64 13350852.37 8123009.435 11265283.24 11726275.56 11933190.58 11156518.3 9220464.449 hypoxanthine 1506040.204 2770562.95 1390463.003 1541902.443 1605422.797 2287022.784 3661985.572 3569643.233 2689697.849 5201965.894 2521504.491 2384031.303 IMP 519858.4368 438750.0988 467012.5517 414383.631 408421.8916 482394.0592 161925.446 442702.3659 412075.8872 429892.5666 451165.6506 254494.3244 kynurenine 4710096.143 4701623.974 5934874.669 3576612.306 4129784.096 4345259.928 1866794.627 4888154.134 6126370.165 5588582.536 6056189.606 3899149.735 lactate 64132195.31 88847845.34 81549096.68 65294795.32 78394096.83 95767985.96 55430974.7 132318239.6 138407620.3 153500861.3 169277981.4 103491776.2 leucine/isoleucine 697389535.8 730244588.9 791535684.4 638400023.3 692266626.4 783891411.8 389760793.5 780795906.4 808959176.3 885845448.8 878732381.6 620917192.5 lysine 22617242.29 23175671.29 23982665.98 21371423.81 22964458.53 22836742.23 13275995.61 21139428.49 20465754 23051117.32 22324705.04 18859333.09 malate 906284433.3 1115302396 875537508.6 841293100.4 894405408.8 909047608.7 333506023 680830995 792704595.9 836116678.5 838956958.1 592340963.2 methionine 120261984.5 118643354.7 133907445.9 102305078.3 115420492.1 130054777.5 68753293.53 133775607.2 141018183.8 152845686.8 149612098.9 103312747.6 methionine sulfoxide 3155524.949 3297554.804 3402514.282 2479983.355 2989385.838 2979108.615 1411086.305 2520394.156 2766095.216 2856821.944 2746783.835 1952172.506 methylthioadenosine 29886121.47 26590631.44 29343181.75 29245857.87 28151319.58 25657311.51 13286680.62 19175319.32 21521290.53 24384088.56 31675721.11 24110765.27 myo-inositol 54854524.35 53218767.11 62850505.1 52543445.6 51417753.11 54008778.57 42247160.49 55874196.07 52165290.4 54686141.62 50962012.12 48962588.29 N,N,N-trimethyllysine 17741949.21 18077581.65 18188881.34 15281540.94 16176440.67 17969276.57 7264956.67 14545324.38 14669268.81 16499182.35 15263555.47 11714295.28 N-acetylarginine 37491375.38 36028602.93 38721428.16 30641534.29 31598359.94 35456088.01 10704111.76 17724523.65 19741299.37 20111948.95 20383470.84 14672241.8 N-acetylasparagine 17802745.52 18388845.9 18966759.59 15683109.69 16780811.02 17789563.48 6490420.719 10698936.58 12084435.19 13569040.03 12573903.25 9576707.796 N-acetylaspartate 23661976.97 24047267.04 22453535.61 20632772.15 21120089.33 21967444.81 19628150.42 29698554.27 31119120.12 32097185.71 31314610.44 25261456.53 N-acetylaspartylglutamate 297403.7495 359745.5884 257164.5337 200525.8113 248286.2077 260432.1984 11583.8561 90318.61937 163033.7012 193871.167 145792.8962 74728.67667 N-acetylglucosamine phosphate 2618545.812 2504161.392 2478888.528 1961523.965 2208097.41 2140659.902 873820.4004 1706118.876 2035877.64 1899733.799 1875108.932 1485169.063 N-acetylglutamate 35352737.71 33219949.74 34793283.96 30972199.69 31046983.17 33339233.22 17938664.93 27446684.9 28783197.43 30546486.96 30251149.73 25181375.63 N-acetylmethionine 4825172.972 4700049.532 4827850.791 4154765.811 4015915.874 4520646.351 1401429.577 4461630.954 5156797.9 5316885.924 5903073.502 3635094.077 N-acetylneuramate 1145383.494 974061.4802 984471.9587 994145.1135 1098236.9 937198.4375 878329.5099 1467667.717 1487302.325 1467245.589 1811762.62 1368204.601 N-acetylornithine 28374832.67 27484987.6 29991286.83 24932344.1 25321422.2 28917706.56 14919371.19 23831516.34 24547033.75 26067771.98 25880018.83 19451792.1 N-acetylserine 126656197.7 127168183.3 128006230 109422879.9 111562521 120661882.7 53474452.49 98222684.84 111954905.5 117572260.9 115617406.5 84816078.98 N-acetyltaurine 97198684.92 98382621.04 107135128 87288331.69 90859496.84 99319323.75 46253926.01 74714108.44 82849962.43 89492931.07 86763911.33 60538184.36 NAD 137764288.1 130587779.3 132079747.3 110953030.7 120249994.9 127775569 63682049.81 101256557.9 112409847.4 114967347.1 113789416.8 87722883.76 NADH 6215396.716 5651126.392 5551270.559 4398456.171 4677478.792 5520583.695 1920257.81 4857849.241 5977174.812 5037097.233 5515923.874 3816036.752 NADP 1828665.671 2165714.694 2098196.424 1917838.363 1917699.386 2232416.512 586158.7908 1041514.592 974716.5942 979353.9 1352296.517 741655.8473 NADPH 3182548.542 2965179.607 2984559.521 2183487.123 2429938.236 2678577.251 943424.9289 2674464.205 3020275.677 2521908.528 2344658.996 1565641.962 N-carbamoylaspartate 2918659.104 4180655.051 3604305 3554845.968 3337462.625 3680036.049 963946.4656 3018037.694 4052138.321 4052023.582 3991214.486 3021005.912 ophthalmate 26806063.13 25908901.49 27422608.97 22691792.47 23799342.05 25272020.45 11179417.16 17355130.23 19727994.74 21802955.73 19752154.13 14753780.01 ornithine 37726329.38 41980341.7 43448044.05 39331667.1 39446421.14 42103775.81 27045938.72 36062992.11 34991090.41 42542007.06 37854708.14 33645222.82 orotate 1659535.689 1728870.267 1949949.569 2119141.902 1595225.344 1437666.514 2516844.58 2107421.82 1814595.498 3794394.597 2820083.877 2635562.535 orotidine 114955062.4 137133119 111923351.9 104581927.3 114568315.8 116380294.1 24977093.13 52480978.25 70706147.29 78133211.7 72616112.44 47729677.06 pantothenate 143655656.5 146656368.1 144895254.2 122683545.1 127071420 141322217.7 66087041.27 112105662.8 124322872.3 125435764.6 125774297.5 96435933.48 pentose phosphate 1441153.383 1727011.513 1021243.499 1031911.184 1015871.952 1464085.959 571940.7008 1907876.346 1630499.13 1207624.869 1066673.194 744810.4053 phenylalanine 114047808.9 121431910.2 129675894.5 105233916 117652992.6 132656585.8 67524753.61 134999097 143490970.1 157707918.7 154539268.3 111431998.4 phosphocreatine 26443347.45 24189344.25 25805693.17 21068291.14 21403937.51 22918912.6 10854017.02 19233474.31 20416206.02 21690820.45 19609319.63 13322228 phosphoenolpyruvate 6192867.118 6346481.473 5390294.855 4541847.924 6613217.19 5883586.413 2914788.343 9779365.599 9531750.694 7961047.379 10133893.25 7454403.935 phosphorylcholine 7516850975 7171429829 7481517383 6188937673 6503277000 7033056441 2666654761 4716608568 5239587919 5662328587 5332141630 3921421644 proline 8849175815 8740339757 9306259483 7520591387 7802350114 8705490623 3814253355 6542479503 7155307457 7484731492 7045238310 5167058160 propionylcarnitine 46388518.39 44260546.41 50296514.98 39259585.4 39239280.98 39593186.5 31844906.9 32597364.05 32954028.52 33796171.94 30523020.57 27890069.08 pyroglutamate 800698539.3 869582723.5 916324382.8 805114886.5 799753289.1 900897133.3 403185265.5 829216868.4 874918690.5 929915201 1023485450 754928043.3 pyruvate 1885375.705 3180137.625 2986982.312 2544036.008 2735577.449 3493495.243 2773479.001 4437211.282 4363634.33 5073583.862 5545740.82 3254987.613 quinolinate 12286126.44 11300613.16 11917534.45 9527732.501 9061328.864 9816188.621 7152671.2 14298633.58 19285393.09 20055690.39 18142510.48 11212716.39 S-adenosylhomocysteine 11358512.01 9553040.814 9715555.016 8625020.582 9223391.649 8995382.457 3928404.224 6748510.52 7534872.061 8775310.453 9093903.893 6282577.29 S-adenosylmethionine 371702937.7 327748263.7 335856663.2 306829532.8 309375621.3 345071663 161195814.9 261049364.9 284940545.6 291634600 316186831.2 222815803.5 sarcosine 4129295.305 3581556.645 3857767.734 3149884.762 3375551.49 3964432.896 1303436.96 2728868.858 2563677.38 3072991.136 3088639.598 2191335.482 sedoheptulose 7-phosphate 4486303.675 4914025.022 4102660.605 3422172.39 3691559.541 4549270.849 2658387.688 5731638.535 5498030.057 4620366.748 4027998.655 3175664.377 serine 37869006.59 37051885.66 38322830.13 31842845.5 30407763.14 37010580.55 18301818.65 32087032.72 36127834.13 36776525.56 34711244.91 23922029.96 succinate 15651126.82 16081912.64 16999285.7 11361715.35 13024280.25 11405915.77 11441636.98 13033299.97 11321287.62 13996179.58 12056866.28 11322580.65 succinyladenosine 538430.4755 487475.3238 450860.174 408384.3487 444886.0505 457782.7152 49008.32787 217045.456 259870.5336 310478.6048 405988.4647 166024.8235 taurine 1828272218 1809487036 1900834550 1658653410 1666530705 1800744867 1075983185 1492958291 1601009378 1677665736 1539185203 1278552815 thiamine 512919.76 543548.2849 478528.8254 105125.4155 520132.521 721240.3413 330531.3609 1434595.781 1319515.377 1225199.239 1220338.164 636218.2238 threonine 169788098.1 157897830.4 181630039.8 133919452.8 145660145.7 159200384.3 70798335.49 123431520.5 128043657.5 140835670 132411747.3 94336659.15 tryptophan 13546128.17 13473804.21 14570442.92 12352065.05 13380943.16 15126956.91 8874352.689 17690697.31 18561446.07 20187073.07 20526894.38 13377134.5 tyrosine 52526835.2 62575560.86 60296157.93 52108129.4 49023446.7 61840983.07 31189194.73 60586366.23 70741450.94 77935965.67 75123770.61 50659247.68 UDP 36132271.18 34459430.91 31559188.31 30236291.26 31691067.6 33837744.46 15726469.7 18961931.37 23217758.22 26996074.25 25805874.63 18687422.41 UDP-GlcNac 57887020.57 55946635.79 54275867.14 43737214.73 49497924.56 52065922.69 16500269.91 33140580.16 37778116.21 36452138.15 40789286.05 27582110.78 UDP-glucose 56460760.64 59913070.44 51985080.38 47251258.94 50946994.85 51927538.32 19603963.26 36194115.9 42420696.22 43138572.53 42758040.01 31917331.41 UMP 7641075.354 8760943.92 7580747.105 6917584.413 7798844.939 7919851.049 3406645.412 4958661.508 5551784.177 6205668.392 5799165.027 4303636.001 uric acid 962527.2558 1013255.019 399708.3248 756215.7343 1094037.615 640554.9685 798308.1962 1002201.976 1184709.587 2557000.179 1180981.909 753601.9455 UTP 89762587.47 75534713.28 74373086.72 65258279.99 69347098.13 77782456.1 21698230.83 41769327.86 49559283.7 47747249.15 52426860.89 30865602.24 valine 80951359.3 85535298.82 88053389.41 73771731.24 78037285.26 84911852.57 51891382.1 72749101.71 80947643.66 87854508.48 87456032.14 66079952.85 xanthine 3323168.639 3506001.538 3426727.825 3334260.71 3321580.124 3673161.388 2351081.055 4772903.805 4836485.61 6816129.087 5460350.297 3850269.967 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID Pubchem ID CAS number HMDB ID 2/3-phosphoglycerate C00597 724 80731-10-8 HMDB00807 2-hydroxyglutarate C02630 43 2889-31-8 HMDB0059655 2-ketoglutarate C00026 51 22202-68-2 HMDB00208 3-phosphoserine C01005 68841 17885-08-4 HMDB01721 4-guanidinobutanoate C01035 500 463-00-3 HMDB03464 5-aminoimidazole ribonucleotide C03373 6208 25635-88-5 HMDB0001235 acetylcarnitine C02571 439756 5080-50-2 HMDB00201 acetylcholine C01996 187 60-31-1 HMDB00895 aconitate C02341 444212 4023-65-8 HMDB00958 adenosine C00212 60961 58-61-7 HMDB00050 ADP C00008 6022 20398-34-9 HMDB01341 ADP-glucose C00498 16500 102129-65-7 HMDB06557 ADP-ribose C00301 445794 68414-18-6 HMDB01178 Alanine C00041 5950 56-41-7 HMDB00161 AMP C00020 6083 4578-31-8 HMDB00045 Arginine C00062 6322 1119-34-2 HMDB00517 argininosuccinate C03406 16950 2387-71-5 HMDB0000052 asparagine C00152 6267 70-47-3 HMDB00168 aspartate C16433 5960 56-84-8 HMDB00191 ATP C00002 5957 34369-07-8 HMDB00538 beta-alanine C00099 239 107-95-9 HMDB0000056 beta-citrylglutamate 21125622 69281-09-0 HMDB0013220 betaine C00719 247 107-43-7 HMDB00043 cAMP C00575 6076 60-92-4 HMDB00058 carnitinamide C02290 4633873 16630-38-9 carnitine C00318 3612 541-15-1 HMDB0000062 carnitine C16 C02990 11953816 2364-67-2 HMDB0000222 carnitine C4 C02862 213144 25576-40-3 HMDB0002013 carnitine C5 C20826 6426851 31023-24-2 HMDB0000688 carnitine C6 C03299 6155 6418-78-6 HMDB0000756 carnitine C8 C02838 11953814 25243-95-2 HMDB0000791 carnosine C00386 439224 305-84-0 HMDB00033 CDP C00112 6132 34393-59-4 HMDB01546 choline C00114 305 123-41-1 HMDB00097 citrate C00158 311 77-92-9 HMDB00094 citrulline C00327 9750 372-75-8 HMDB00904 CMP C00055 6131 63-37-6 HMDB00095 CMP-acetylneuraminate C00128 448209 3063-71-6 HMDB0001176 creatine C00300 586 57-00-1 HMDB00064 creatinine C00791 588 60-27-5 HMDB00562 CTP C00063 6176 36051-68-0 HMDB00082 cyclic ADP-ribose 123847 119340-53-3 HMDB0249529 cysteinylglycine C01419 439498 19246-18-5 HMDB0000078 cystine C01420 67678 56-89-3 HMDB00192 deoxyribose 5-phosphate C00673 45934311 102916-66-5 HMDB0001031 dihydroorotate C00337 439216 5988-19-2 HMDB03349 dihydroxyacetone phosphate C00429 649 504-07-4 HMDB00076 dimethylarginine C03626 123831 30315-93-6 HMDB0001539 dimethyllysine C05545 4478779 2259-86-1 HMDB0013287 dTTP C00459 64968 365-08-2 HMDB0001342 fructose bisphosphate C00354 172313 488-69-7 HMDB01058 fumarate C00122 444972 110-17-8 HMDB00134 gamma-glutamylcysteine C00669 123938 636-58-8 HMDB0001049 GDP C00035 8977 43139-22-6 HMDB01201 gluconate C00257 10690 526-95-4 HMDB00625 glucose C00031 5793 50-99-7 HMDB0304632 glucuronate C00191 94715 207300-70-7 HMDB00127 glutamate C00025 33032 56-86-0 HMDB00148 glutamine C00064 5961 56-85-9 HMDB00641 glutathione oxidized C00127 65359 27025-41-8 HMDB0003337 glutathione reduced C00051 124886 70-18-8 HMDB00125 glyceraldehyde 3-phosphate C00661 729 93965-35-6 HMDB01112 glycerol 3-phosphate C00093 439162 29849-82-9 HMDB00126 glycerophosphocholine C00670 657272 28319-77-9 HMDB0000086 glycerophosphoethanolamine C01233 5459861 59734-15-5 HMDB0059660 glycerophosphoinositol C01225 167572 16824-65-0 HMDB0011649 Glycine C00037 750 56-40-6 HMDB00123 GMP C00144 6804 1333479 HMDB01397 GTP C00044 6830 36051-31-7 HMDB01273 guanidinoacetate C00581 763 352-97-6 HMDB00128 hexosamine C00329 439213 66-84-2 HMDB01514 hexosamine phosphate C00352 439217 70442-23-8 HMDB01254 hexose phosphates C00092 5958 56-73-5 HMDB01401 histidine C00135 6274 71-00-1 HMDB00177 homoarginine C01924 9085 156-86-5 HMDB0000670 hydroxyphenyllactate C03672 9378 306-23-0 HMDB0000755 hydroxyproline C01157 5810 51-35-4 HMDB00725 hypotaurine C00519 107812 300-84-5 HMDB00965 hypoxanthine C00262 790 68-94-0 HMDB00157 IMP C00130 8582 352195-40-5 HMDB00175 kynurenine C00328 161166 343-65-7 HMDB00684 lactate C01432 107689 79-33-4 HMDB00190 leucine/isoleucine C00123 6106 328-39-2 HMDB00687 lysine C00047 5962 56-87-1 HMDB00182 malate C00149 222656 97-67-6 HMDB00156 methionine C00073 6137 63-68-3 HMDB00696 methionine sulfoxide C02989 158980 3226-65-1 HMDB0002005 methylthioadenosine C00170 439176 2457-80-9 HMDB01173 myo-inositol C00137 892 87-89-8 HMDB00211 N,N,N-trimethyllysine C03793 440120 55528-53-5 HMDB01325 N-acetylarginine 67427 155-84-0 HMDB0004620 N-acetylasparagine 99715 4033-40-3 HMDB06028 N-acetylaspartate C01042 65065 997-55-7 HMDB00812 N-acetylaspartylglutamate C12270 188803 3106-85-2 HMDB0001067 N-acetylglucosamine phosphate C00357 440996 18191-20-3 HMDB0001062 N-acetylglutamate C00624 70914 1188-37-0 HMDB01138 N-acetylmethionine C02712 448580 1115-47-5 HMDB11745 N-acetylneuramate C00270 439197 131-48-6 HMDB00230 N-acetylornithine 193343 2185-16-2 HMDB0240589 N-acetylserine 65249 97-14-3 HMDB02931 N-acetyltaurine 159864 19213-70-8 HMDB0240253 NAD C00003 5893 53-84-9 HMDB00902 NADH C00004 439153 58-68-4 HMDB0001487 NADP C00006 5886 698999-85-8 HMDB00217 NADPH C00005 5884 2646-71-1 HMDB00221 N-carbamoylaspartate C00438 93072 13184-27-5 HMDB0000828 ophthalmate C21016 7018721 495-27-2 HMDB05765 ornithine C00077 6262 3184-13-2 HMDB00214 orotate C00295 967 65-86-1 HMDB00226 orotidine C01103 92751 314-50-1 HMDB0000788 pantothenate C00864 6613 137-08-6 HMDB00210 pentose phosphate C03736 440101 4300-28-1 HMDB0001548 phenylalanine C02057 6140 63-91-2 HMDB00159 phosphocreatine C02305 9548602 19333-65-4 HMDB01511 phosphoenolpyruvate C00074 1005 5541-93-5 HMDB00263 phosphorylcholine C00588 1014 72556-74-2 HMDB01565 proline C16435 145742 147-85-3 HMDB00162 propionylcarnitine C03017 188824 20064-19-1 HMDB0000824 pyroglutamate C01879 7405 98-79-3 HMDB00267 pyruvate C00022 1060 127-17-3 HMDB00243 quinolinate C03722 1066 89-00-9 HMDB00232 S-adenosylhomocysteine C00021 439155 979-92-0 HMDB00939 S-adenosylmethionine C00019 34755 17176-17-9 HMDB01185 sarcosine C00213 1088 107-97-1 HMDB00271 sedoheptulose 7-phosphate C05382 92042786 2646-35-7 HMDB0001068 serine C00065 5951 56-45-1 HMDB00187 succinate C00042 1110 110-15-6 HMDB00254 succinyladenosine 20849086 4542-23-8 HMDB0000912 taurine C00245 1123 107-35-7 HMDB00251 thiamine C00378 1130 67-03-8 HMDB00235 threonine C00188 6288 72-19-5 HMDB00167 tryptophan C00078 6305 73-22-3 HMDB00929 tyrosine C01536 6057 60-18-4 HMDB00158 UDP C00015 6031 27821-45-0 HMDB00295 UDP-GlcNac C00043 445675 91183-98-1 HMDB00290 UDP-glucose C00029 8629 28053-08-9 HMDB00286 UMP C00105 6030 58-97-9 HMDB00288 uric acid C00366 1175 69-93-2 HMDB00289 UTP C00075 337 19817-92-6 HMDB00285 valine C16436 6287 72-18-4 HMDB00883 xanthine C00385 1188 69-89-6 HMDB00292 METABOLITES_END #END