#METABOLOMICS WORKBENCH rpc3312_20220727_123320 DATATRACK_ID:3367 STUDY_ID:ST002237 ANALYSIS_ID:AN003650 PROJECT_ID:PR001427 VERSION 1 CREATED_ON August 2, 2022, 8:19 am #PROJECT PR:PROJECT_TITLE Metabolomic analysis of brain cortex from neuronal specific Depdc5 knockout in PR:PROJECT_TITLE fed and fasting states PR:PROJECT_TYPE LCMS based comprehensive hydrophilic metabolites profiling PR:PROJECT_SUMMARY We performed a metabolomic analysis of the brain cortex from neuronal-specific PR:PROJECT_SUMMARY Depdc5 knockout in fed and fasting states. PR:INSTITUTE Northwestern University Feinberg School of Medicine PR:DEPARTMENT Medicine PR:LABORATORY Chandel Lab PR:LAST_NAME Chandel PR:FIRST_NAME Navdeep PR:ADDRESS 303 E Superior St, Chicago, Illinois, 60611, USA PR:EMAIL nav@northwestern.edu PR:PHONE 3125032549 PR:FUNDING_SOURCE NIA PR:PUBLICATIONS DEPDC5-dependent mTORC1 signaling mechanisms are critical for the anti-seizure PR:PUBLICATIONS effects of acute fasting PR:CONTRIBUTORS Christopher J. Yuskaitis, Jinita B. Modasia, Sandra Schroetter, Leigh-Ana PR:CONTRIBUTORS Rossitto, Karenna Groff, Christopher Morici, Divakar S. Mithal, Ram P. PR:CONTRIBUTORS Chakrabarty, Navdeep S. Chandel, Brendan D. Manning, Mustafa Sahin #STUDY ST:STUDY_TITLE Metabolomic analysis of brain cortex from neuronal specific Depdc5 knockout in ST:STUDY_TITLE fed and fasting state ST:STUDY_TYPE Depdc5 KO fed vs. fasted comparison ST:STUDY_SUMMARY Caloric restriction and acute fasting are known to reduce seizures but through ST:STUDY_SUMMARY unclear mechanisms. In this study, we demonstrate that mTORC1 signaling is ST:STUDY_SUMMARY reduced after acute fasting of mice. In neurons, mTORC1 is most sensitive to ST:STUDY_SUMMARY withdrawal of leucine, arginine, and glutamine, which is dependent on DEPDC5. We ST:STUDY_SUMMARY performed metabolomic analysis of brain cortex from neuronal specific Depdc5 ST:STUDY_SUMMARY knockout in fed and fasting state. The Depdc5 neuronal specific knockout mice ST:STUDY_SUMMARY are resistant to sensing significant fluctuations in brain amino acid levels ST:STUDY_SUMMARY after fasting. These results establish that acute fasting reduces seizure ST:STUDY_SUMMARY susceptibility in a DEPDC5-dependent manner. ST:INSTITUTE Northwestern University Feinberg School of Medicine ST:DEPARTMENT Medicine ST:LABORATORY Chandel Lab ST:LAST_NAME Chandel ST:FIRST_NAME Navdeep ST:ADDRESS 303 E Superior St, Chicago, Illinois, 60611, USA ST:EMAIL nav@northwestern.edu ST:PHONE 3125032549 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 40 ST:NUM_MALES 20 ST:NUM_FEMALES 20 ST:PUBLICATIONS DEPDC5-dependent mTORC1 signaling mechanisms are critical for the anti-seizure ST:PUBLICATIONS effects of acute fasting #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 - 166-3 Genotype:Depdc5 WT | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-10.raw SUBJECT_SAMPLE_FACTORS - 166-4 Genotype:Depdc5 WT | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-11.raw SUBJECT_SAMPLE_FACTORS - 166-5 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-12.raw SUBJECT_SAMPLE_FACTORS - 166-6 Genotype:Depdc5 KO | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-13.raw SUBJECT_SAMPLE_FACTORS - 167-7 Genotype:Depdc5 KO | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-14.raw SUBJECT_SAMPLE_FACTORS - 169-2 Genotype:Depdc5 WT | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-15.raw SUBJECT_SAMPLE_FACTORS - 169-3 Genotype:Depdc5 KO | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-16.raw SUBJECT_SAMPLE_FACTORS - 169-5 Genotype:Depdc5 WT | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-17.raw SUBJECT_SAMPLE_FACTORS - 189-2 Genotype:Depdc5 KO | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-18.raw SUBJECT_SAMPLE_FACTORS - 189-3 Genotype:Depdc5 WT | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-19.raw SUBJECT_SAMPLE_FACTORS - 190-4 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-20.raw SUBJECT_SAMPLE_FACTORS - 190-5 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-21.raw SUBJECT_SAMPLE_FACTORS - 191-1 Genotype:Depdc5 WT | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-22.raw SUBJECT_SAMPLE_FACTORS - 191-3 Genotype:Depdc5 WT | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-23.raw SUBJECT_SAMPLE_FACTORS - 192-1 Genotype:Depdc5 KO | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-24.raw SUBJECT_SAMPLE_FACTORS - 192-2 Genotype:Depdc5 KO | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-25.raw SUBJECT_SAMPLE_FACTORS - 192-4 Genotype:Depdc5 KO | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-26.raw SUBJECT_SAMPLE_FACTORS - 192-5 Genotype:Depdc5 KO | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-27.raw SUBJECT_SAMPLE_FACTORS - 192-6 Genotype:Depdc5 KO | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-28.raw SUBJECT_SAMPLE_FACTORS - 248-1 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-29.raw SUBJECT_SAMPLE_FACTORS - 248-6 Genotype:Depdc5 KO | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-30.raw SUBJECT_SAMPLE_FACTORS - 248-7 Genotype:Depdc5 KO | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-31.raw SUBJECT_SAMPLE_FACTORS - 600-1 Genotype:Depdc5 KO | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-32.raw SUBJECT_SAMPLE_FACTORS - 600-7 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-33.raw SUBJECT_SAMPLE_FACTORS - 600-8 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-34.raw SUBJECT_SAMPLE_FACTORS - 601-1 Genotype:Depdc5 WT | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-35.raw SUBJECT_SAMPLE_FACTORS - 601-2 Genotype:Depdc5 WT | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-36.raw SUBJECT_SAMPLE_FACTORS - 601-4 Genotype:Depdc5 WT | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-37.raw SUBJECT_SAMPLE_FACTORS - 601-5 Genotype:Depdc5 KO | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-38.raw SUBJECT_SAMPLE_FACTORS - 609-6 Genotype:Depdc5 KO | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-39.raw SUBJECT_SAMPLE_FACTORS - 611-5 Genotype:Depdc5 KO | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-40.raw SUBJECT_SAMPLE_FACTORS - 625-1 Genotype:Depdc5 KO | Treatment:Control Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-44.raw SUBJECT_SAMPLE_FACTORS - 627-6 Genotype:Depdc5 WT | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-45.raw SUBJECT_SAMPLE_FACTORS - 627-7 Genotype:Depdc5 KO | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-46.raw SUBJECT_SAMPLE_FACTORS - 986-3 Genotype:Depdc5 KO | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-65.raw SUBJECT_SAMPLE_FACTORS - 986-5 Genotype:Depdc5 KO | Treatment:Fasted Sex=F; RAW_FILE_NAME=Nav-Ram-20200224-66.raw SUBJECT_SAMPLE_FACTORS - 993-1 Genotype:Depdc5 WT | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-77.raw SUBJECT_SAMPLE_FACTORS - 993-10 Genotype:Depdc5 KO | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-78.raw SUBJECT_SAMPLE_FACTORS - 993-4 Genotype:Depdc5 WT | Treatment:Control Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-79.raw SUBJECT_SAMPLE_FACTORS - 993-5 Genotype:Depdc5 WT | Treatment:Fasted Sex=M; RAW_FILE_NAME=Nav-Ram-20200224-80.raw #COLLECTION CO:COLLECTION_SUMMARY Mouse cerebral cortex was rapidly dissected and flash frozen. CO:SAMPLE_TYPE Brain CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Group housed mice, 6-9 weeks old Depdc5cc+ mice and their littermate controls, TR:TREATMENT_SUMMARY were randomized to fed or fasted conditions. Mice were weighed, followed by food TR:TREATMENT_SUMMARY removal at 1 pm for 24hr with ad lib water access. Twenty-four hours TR:TREATMENT_SUMMARY post-fasting, mice were weighed, followed by experimentation. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Mouse cortical lysate samples were rapidly isolated, and flash frozen in liquid SP:SAMPLEPREP_SUMMARY nitrogen. Soluble metabolites were extracted directly from tissue using cold SP:SAMPLEPREP_SUMMARY methanol/water (80/20, v/v) at approximately 1μL per 50μg of tissue, followed SP:SAMPLEPREP_SUMMARY by ultrasonication (Branson Sonifier 250) for 15 s. Homogenized samples were SP:SAMPLEPREP_SUMMARY incubated at −80 °C to precipitate proteins and subsequently centrifuged at SP:SAMPLEPREP_SUMMARY 18,000xg for 20 min at 4 °C to pellet the debris. The supernatants containing SP:SAMPLEPREP_SUMMARY soluble metabolites were collected in new tubes and evaporated to dryness using SP:SAMPLEPREP_SUMMARY a SpeedVac concentrator (Thermo Savant). Next, the metabolites were SP:SAMPLEPREP_SUMMARY reconstituted in acetonitrile/water (60/40, v/v), vortex-mixed, and centrifuged SP:SAMPLEPREP_SUMMARY at 18,000xg for 30 min at 4°C to remove debris. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Samples were analyzed by High-Performance Liquid Chromatography and CH:CHROMATOGRAPHY_SUMMARY High-Resolution Mass Spectrometry and Tandem Mass Spectrometry (HPLC-MS/MS). CH:CHROMATOGRAPHY_SUMMARY Specifically, system consisted of a Thermo Q-Exactive in line with an CH:CHROMATOGRAPHY_SUMMARY electrospray source and an Ultimate3000 (Thermo) series HPLC consisting of a CH:CHROMATOGRAPHY_SUMMARY binary pump, degasser, and auto-sampler outfitted with a Xbridge Amide column CH:CHROMATOGRAPHY_SUMMARY (Waters; dimensions of 3.0 mm × 100 mm and a 3.5 µm particle size). The mobile CH:CHROMATOGRAPHY_SUMMARY phase A contained 95% (vol/vol) water, 5% (vol/vol) acetonitrile, 10 mM ammonium CH:CHROMATOGRAPHY_SUMMARY hydroxide, 10 mM ammonium acetate, pH = 9.0; B was 100% Acetonitrile. The CH:CHROMATOGRAPHY_SUMMARY gradient was as following: 0 min, 15% A; 2.5 min, 30% A; 7 min, 43% A; 16 min, CH:CHROMATOGRAPHY_SUMMARY 62% A; 16.1-18 min, 75% A; 18-25 min, 15% A with a flow rate of 150 μL/min. The CH:CHROMATOGRAPHY_SUMMARY capillary of the ESI source was set to 275 °C, with sheath gas at 35 arbitrary CH:CHROMATOGRAPHY_SUMMARY units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0 kV. In CH:CHROMATOGRAPHY_SUMMARY positive/negative polarity switching mode, an m/z scan range from 60 to 900 was CH:CHROMATOGRAPHY_SUMMARY chosen and MS1 data was collected at a resolution of 70,000. The automatic gain CH:CHROMATOGRAPHY_SUMMARY control (AGC) target was set at 1 × 106 and the maximum injection time was CH:CHROMATOGRAPHY_SUMMARY 200 ms. The top 5 precursor ions were subsequently fragmented, in a CH:CHROMATOGRAPHY_SUMMARY data-dependent manner, using the higher energy collisional dissociation (HCD) CH:CHROMATOGRAPHY_SUMMARY cell set to 30% normalized collision energy in MS2 at a resolution power of CH:CHROMATOGRAPHY_SUMMARY 17,500. Besides matching m/z, metabolites are identified by matching either CH:CHROMATOGRAPHY_SUMMARY retention time with analytical standards and/or MS2 fragmentation pattern. Data CH:CHROMATOGRAPHY_SUMMARY acquisition and analysis were carried out by Xcalibur 4.1 software and CH:CHROMATOGRAPHY_SUMMARY Tracefinder 4.1 software, respectively (both from Thermo Fisher Scientific). CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters Xbridge Amide (100 x 3mm, 3.5um) #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 capillary of the ESI source was set to 275 °C, with sheath gas at 35 MS:MS_COMMENTS arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0 MS:MS_COMMENTS kV. In positive/negative polarity switching mode, an m/z scan range from 60 to MS:MS_COMMENTS 900 was chosen and MS1 data was collected at a resolution of 70,000. The MS:MS_COMMENTS automatic gain control (AGC) target was set at 1 × 106 and the maximum MS:MS_COMMENTS injection time was 200 ms. The top 5 precursor ions were subsequently MS:MS_COMMENTS fragmented, in a data-dependent manner, using the higher energy collisional MS:MS_COMMENTS dissociation (HCD) cell set to 30% normalized collision energy in MS2 at a MS:MS_COMMENTS resolution power of 17,500. Besides matching m/z, metabolites are identified by MS:MS_COMMENTS matching either retention time with analytical standards and/or MS2 MS:MS_COMMENTS fragmentation pattern. Data acquisition and analysis were carried out by MS:MS_COMMENTS Xcalibur 4.1 software and Tracefinder 4.1 software, respectively (both from MS:MS_COMMENTS Thermo Fisher Scientific). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 166-3 166-4 166-5 166-6 167-7 169-2 169-3 169-5 189-2 189-3 190-4 190-5 191-1 191-3 192-1 192-2 192-4 192-5 192-6 248-1 248-6 248-7 600-1 600-7 600-8 601-1 601-2 601-4 601-5 609-6 611-5 625-1 627-6 627-7 986-3 986-5 993-1 993-10 993-4 993-5 Factors Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 WT | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 KO | Treatment:Fasted Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 KO | Treatment:Control Genotype:Depdc5 WT | Treatment:Control Genotype:Depdc5 WT | Treatment:Fasted (S)-4-hydroxymandelonitrile + 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319156 0 0 0 0 0 0 0 0 0 0 0 849101 0 0 0 0 0 724268 0 1,3-bisphospho-D-glycerate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide+ 8908557 4946816 11303747 6749548 12762234 6324035 29390747 7732310 13675285 11281729 14718309 14191565 16007905 10151729 19741024 11582490 23608923 17962193 17761206 10561553 24494697 19465787 12636866 11653651 16402958 12693018 12473923 10704353 19416339 9419760 19375886 13756395 19624527 14022054 17698375 15685109 7305138 12341320 4968770 9247407 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 230731 193467 452407 118743 36335 165583 127815 394462 198922 346323 361968 333167 404106 339013 167291 259599 199981 159437 145418 168021 60158 139077 142953 116089 284446 230180 421825 137850 96152 0 119777 0 84352 148395 178498 147671 175996 293734 564315 159046 2,3-bisphospho-D-glycerate 95111 0 334521 0 0 109030 0 135494 72825 309281 448049 281233 165818 303337 42795 63778 0 338371 0 24761 173611 214699 38219 0 231240 397041 283479 236899 295129 261276 37728 98247 376774 106453 29039 134427 525874 1391295 1733466 650639 2/3-phosphoglycerate 13769053 5583247 17003653 4308986 9277423 14197341 7937463 11148967 18746845 16819260 21504800 13023760 14781684 16200171 10272003 15677418 14509478 20665162 10554203 9856833 13045492 18007156 15355324 11782308 18660547 20340262 18438833 22826163 14022526 15785189 12752357 13573398 15379028 10986853 13007319 16830380 19558855 44266252 14237148 30762599 2-aminobutanoate 1602570 762441 9412331 11304617 637062 3498970 17444152 1477135 4868683 1470102 7573258 5773124 1931467 3138867 6040834 1254327 2267403 2139812 6541257 7758883 14474926 1403497 2030213 7258168 14799553 2029577 6369479 7111040 18002458 963782 12351253 4339770 7938268 12932597 13512899 7822871 6665165 2356955 4449515 8479675 2-aminoisobutanoate 94346 521272 424157 341919 1017567 574231 526325 376630 105787 221926 331761 481717 867912 816387 367581 172708 205819 472408 435203 615422 571990 499415 184107 195473 755735 349790 172465 70391 1138612 259665 318927 1191510 755526 106391 320470 173728 1057917 564790 1107807 207226 2-HG 44665993 34618428 53181850 100206190 67871496 43069921 88944943 48396572 62992005 48014118 52515031 50082879 49377357 53269151 80842610 58455417 52727962 55289313 70939811 51193719 71101745 57041009 67364538 60130420 48040988 32420764 36771384 47663304 68587862 43944797 70538626 54459870 45392240 66926930 45362875 60571610 26821364 34502646 41875525 41776706 2-hydroxybutanoic acid 1152400 972632 15303547 45748563 2573135 5254135 96542230 4953665 3018256 3097634 34465720 32437448 3030661 4069164 30866382 4114865 4399625 6864523 45831599 14543271 84453539 2589461 2330929 22235257 50120609 4808525 20783288 29219150 89745229 4013442 64093332 2686470 34380242 80429030 55789118 23830357 4426384 5012306 4468366 14826185 2-keto-isovaleric acid 592271 591457 491203 1190128 834882 1376681 1211015 3432303 0 665588 484923 1428256 1349712 0 1421119 1422164 1185403 1472222 2019433 991513 1643890 979439 880129 1142204 1102199 1028627 1189371 1111344 1068382 1269262 1144016 958383 894678 1512306 655114 729348 1609861 1367629 2590091 1797599 2-ketovaleric acid 3155516 1257933 919886 0 1818342 2210480 0 2365100 14785544 3796532 2478976 0 3961443 0 0 0 3647232 2320712 12286209 2514052 2507431 3697971 4148967 2517025 1952642 0 4504562 6526980 2612460 2652103 4700681 4959581 3941521 6524755 3044359 1580858 6757238 2764228 1966318 0 2-oxobutanoic acid 3474885 3566813 8342764 4041351 3330219 3119097 4396501 2485950 5278709 4292102 16524702 7135705 4190592 3178325 4639271 7788151 2861135 5653733 3538516 5645373 8583253 6564742 5264751 4400810 4926707 5022316 4975977 4156334 9402192 6972101 8240589 1742017 2390487 1401089 1490505 1252849 1986506 1206202 9010017 334886 3- / 7-methylguanine 234076 164586 210602 225089 168673 239564 411301 310539 193789 314381 374133 334561 312510 332472 427449 292751 294216 372933 386043 257847 597240 329907 312166 220824 468178 416271 238402 294436 752388 383401 443200 184184 468396 376543 256334 414688 413161 489784 300246 343833 3,4-dihydroxymandelic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3,4-dihydroxyphenylpropanoate 0 0 24022 0 0 0 27765 0 0 20545 0 0 0 0 0 0 22730 0 22000 16844 0 0 24998 0 0 0 0 0 0 0 0 22729 0 0 0 0 0 0 0 0 3-aminoisobutanoate 1086403 1640478 1655115 10512466 644950 2311039 256953 771150 1443440 469641 2492942 1543740 3525386 344838 2806551 633500 462235 535535 1369989 1472278 1946990 2617728 1125886 1260270 1893807 575062 614473 2294246 3935079 297742 9777588 1366711 2153837 2490265 2617825 1533464 1331948 766339 4094837 1925356 3-hydroxybutanoic acid 14552299 13024111 87526815 97385591 21197821 21551034 129241912 14928025 18158825 35866614 87730010 116574276 14150066 16296103 100630610 16918393 25851256 37628241 87797298 74802430 176553350 18492924 24939995 93359561 165727275 23187385 68556823 77532418 201504758 29383924 122571304 22628572 130099442 110834503 110577125 95141606 30820774 25560126 14967939 56910101 3-hydroxyphenylacetic acid / vanillin 2718906 3351303 3731720 8461154 1442578 2664042 3326361 2378906 3479128 4356370 3620739 2178408 3479330 2983126 4232642 2368570 2533043 2841378 3240610 2569805 2986081 1923460 2678997 2026203 3262848 2290275 2946541 2432684 4407537 2445556 2337015 2562013 2342847 2555382 1818748 1767208 3623377 3240508 3681064 1949709 3-hydroxypropanoic acid 355134537 80310108 299887432 122743199 277001173 341932712 289686502 385272210 343800108 298228445 327022675 242507155 476211424 273778628 285791134 314244835 382183668 408182640 213073362 285268730 383764746 443004831 94633173 465038341 398755937 408470520 121047574 87841401 353603334 53897593 120908736 272458591 435056502 113333171 326115024 220805899 340078350 683162236 29075207 199847906 3-methoxytyramine 75734 76909 101520 50963 28188 47220 59697 65908 79343 925962 87977 222925 16040 23260 16842 57043 53900 93933 124621 73844 140764 43359 18754 122993 87888 318430 230627 102457 65873 46345 128998 13708 54980 96389 61957 56332 78530 27304 97125 90583 3-phosphohydroxypyruvic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-phospho-serine 131323 23673 235139 24982 45525 170447 173619 101710 102970 131192 111051 146915 134578 179459 155184 199478 181901 270785 183646 145013 219156 191735 103388 144400 173454 105191 175457 92976 163088 170298 93006 43699 191239 161498 205818 37788 176023 249757 713818 200638 3-ureidopropionic acid 18282 0 33120 20216 0 23689 24398 0 0 0 129302 0 0 0 0 39181 13459 0 77615 44020 23331 15036 15823 0 83114 0 12357 12460 0 17085 0 0 18799 17192 15211 0 0 16238 0 30535 4-hydroxybutanoic acid 3867917 2881167 8962561 1154514 3400630 2370097 22485247 4204643 1914052 3182627 2409263 803801 1536842 6970037 1184465 6572227 3735283 8024846 10694793 9186410 18583788 3119224 2975001 15439055 17150237 13439725 398627 4401490 17308509 4312459 14076197 5709259 14169698 14451892 4036447 9129208 1670934 2822963 4225549 8397591 4-hydroxyphenylacetic acid 1249798 0 375348 1002293 243228 0 0 92304 0 469024 231409 0 269521 61135 319300 145339 0 0 0 0 0 62670 329351 0 473472 253640 0 62510 1711655 337204 0 166219 0 0 0 232469 176895 460462 286876 0 4-hydroxyphenylpyruvic acid - 0 115480 0 0 0 0 0 0 62277 0 57112 87483 0 0 0 0 0 0 0 0 0 59721 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4-hydroxyproline 3249977 2274138 5000631 2408439 5866091 5422331 5671843 6181757 7610161 4080482 4722387 6078626 3781435 3790797 5343888 5307735 5394671 6610214 4727263 3900859 4817398 4700085 8861996 3141550 5622760 5121893 4367619 5847098 6818474 4524530 4657072 4094541 4073974 8457579 4174576 3422697 6928252 9703892 6995049 9568791 4-phosphopantothenate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5,6-dihydroxyindole 0 14215 0 0 0 0 16880 17191 0 0 0 0 0 0 0 0 0 0 0 0 19231 13689 0 0 0 15148 0 0 0 0 0 0 0 0 0 0 0 0 0 48638 5-aminolevulinate 362414 285092 239602 462819 366413 324012 114874 388465 297518 268593 423393 424460 588276 324126 506227 312259 202844 495768 282903 330771 287989 127373 252525 298216 168315 168351 771914 162636 326363 160692 343339 324770 349784 171776 565738 624972 156398 1012598 1127374 626887 5-methylcytosine 347754 459834 244507 470589 859711 497552 711393 657784 482054 790635 471932 445307 326047 540549 337298 294152 170023 540852 430487 389746 377050 1057450 359472 179047 509441 181422 595334 343623 349602 394511 326639 1479500 436881 476897 271311 213808 545498 122973 659899 795051 5-methyl-THF 19569 14166 0 17176 0 0 0 0 30309 23513 0 19864 13988 0 0 0 0 21248 11832 0 0 0 0 0 0 0 0 0 83976 0 18690 18487 25784 19244 0 0 23811 0 0 49672 5'-methylthioadenosine 15176713 12734747 20384434 13161251 13794940 23515865 22196567 19152810 16022399 20913746 15909992 17883929 19555545 28624928 29046173 21408918 26168643 34547905 22839192 18780474 28484154 23930873 26915834 22137290 38779007 35184781 30983573 25929039 39231695 25502642 22087151 15491137 20036014 15035880 22768672 21821325 27285328 31519701 15751511 11438895 6-aminocaproic acid 0 0 0 0 0 0 0 0 0 0 63687297 0 0 0 76127542 76938472 0 91535323 0 0 0 62059484 0 0 0 0 0 0 81232347 0 0 0 0 0 66950244 0 82148353 0 18982261 9480401 6-O-methylguanine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-phosphogluconic acid 225397 253924 543177 59343 293305 538426 407636 399867 306684 854283 503129 445052 810798 1217332 836118 573795 705683 1261529 240825 512722 690292 878511 1374112 380291 1013465 1509833 1195796 523510 803346 1269383 449217 645587 934729 390599 210272 319470 1788785 1695045 462561 848308 6-phosphoglucono-D-lactone 0 0 141436 62143 63704 35740 38081 124892 33280 0 108944 66827 68470 40303 0 60222 0 0 155215 30905 0 0 35125 0 0 0 0 0 0 0 0 0 32776 0 0 28918 62436 0 0 25997 acetoacetic acid 0 0 0 2584393 2175612 1530051 0 4088210 0 0 2478036 1596376 0 2080254 3041163 1080994 0 4395736 3103984 1453346 1364947 5908934 2477817 0 2656308 1722896 1472326 4308291 0 2916626 0 3985318 0 3717835 3329606 0 0 1081174 10979650 0 acetylcholine+ 130131810 78116411 109999480 42326192 145054399 262661817 144173088 150785879 68084768 167026217 72386324 212650207 203202618 175002753 137549166 197610234 197593826 164497758 152930369 145359867 199942817 364344960 248282044 185489925 213370731 356527301 228972072 111644498 203829044 185457230 163714964 299675253 458743735 377804811 460543995 166449798 320335548 245249953 86622933 146771896 aconitic acid 1364844 1275532 966625 658333 1251865 894312 1070745 3286011 728512 1511059 354791 1440031 1145214 1092894 750524 1057036 1707457 1737931 524250 1255873 226863 1005837 1140762 1729267 1422021 977968 1204678 331834 6414830 450315 307669 312939 9785792 459177 104721 1108156 617026 0 99257684 407351 adenine 49165729 44773146 64940988 55452059 60367380 58015932 80297860 58781331 58099565 75991821 70752631 74413137 64934209 63604340 69810460 72839487 60546473 92416149 50185710 44570789 116869726 81427800 67863824 62852343 74855232 63623582 73856825 64327449 121688850 75119696 84850144 64037732 82254595 81012539 86608404 88810497 76242868 135653979 211412558 94458689 adenosine 414881835 375035542 567711262 416564830 443235515 433955779 664589510 461499766 490046606 592840512 536385680 562137282 533761256 481735476 578411486 554320731 491512030 769539601 454091461 324087868 941828063 672352573 508850557 367700913 540278243 525192051 500297674 462427383 806090253 590386875 616857142 460557642 520295038 549315638 651375729 588330547 470013476 770915888 383987527 444991781 adenylosuccinate 2927898 2578113 2797461 2689515 4318353 3233926 4965056 3633029 3575613 4968060 5639602 5910547 5046536 7020841 6004476 4312943 4183500 5883642 2948662 2697550 6324730 4586217 3772899 4211056 5624255 5437704 4971885 4916213 6329264 6176579 4832644 4910713 7517535 5043638 4668593 5237767 6183159 9295327 6906864 7280019 ADP 73865181 40373116 89657520 48179270 61828169 79753057 78590438 72493274 92379728 100031550 79547704 83712277 110875197 103687508 97226485 88863819 86203880 114968300 85153111 74879187 93896656 98747411 85041690 83245133 122456691 110636248 103513451 86277582 79213658 93596648 81827221 88516614 107559095 75465274 114328491 80254377 109070101 148921339 34359769 94316441 ADP-D-glucose 0 0 50333 0 0 0 0 0 0 0 0 0 32379 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 31192 0 0 34187 agmatine 0 0 0 9467 12427 11782 0 0 0 0 0 29299 0 15250 0 0 0 17093 0 0 16996 0 14674 0 0 0 0 14944 0 0 0 15440 0 0 0 0 20164 0 0 16716 AICA ribonucleotide 0 56644 27576 27761 55190 81565 61622 59572 86184 49845 0 58657 25216 32100 175597 157713 93537 249917 0 0 32921 172434 110820 0 31486 67940 0 39248 204163 118471 118289 32630 88840 65926 150900 90379 74609 88399 41717 29250 a-KG 33075743 21131809 15497246 16678265 21616053 24373112 24341170 21389120 12160219 22143483 14062585 21780861 17466219 28481650 21238943 45035807 21030455 49542727 23603849 20120989 31460624 20938544 12264379 13582672 19867341 30188243 11393000 10167284 14548489 14389336 15754105 8683973 11357689 8449010 10313297 10515276 12175600 17132572 6582694 12657698 alanine 538743320 408455158 601778515 451665306 522947235 545802076 683375663 592110046 568231296 631812797 618510238 671230331 575641521 592687122 655747333 617681152 592400724 786297053 589801646 474287521 872714727 754153730 604185488 518419955 647523855 595419011 518248411 471026216 767497565 641070077 594004720 559442296 683991617 593321240 590245554 555722764 623086980 771538009 690459133 580155997 allantoin 6344402 4672574 7646588 5513944 6368929 6390627 11856563 5732526 6510645 8312933 12568598 10681437 8866856 7092537 9122738 8861022 7991373 11177461 11326960 8150346 15154082 10628157 9907434 8474893 17072372 7480903 9757278 8167308 15255814 11550570 16810446 7719591 11274433 12043342 9384031 8907162 9267347 10836327 9297836 11189619 AMP / dGMP 797469171 564131761 895224721 560759507 653296843 785209620 966313892 782159198 680634413 825843376 853403870 888204822 872859357 908428224 888271697 888692462 938869296 1082750116 880747532 804602813 1203492950 1009099339 858971037 828180803 819290050 945185205 894295923 832620782 1245893085 949365851 895919418 821192175 1186975680 904966035 796350893 859213596 1023994358 1018334018 161409247 983329522 anandamide 85380 185295 188724 76615 36264 0 45508 55922 0 139762 214622 39094 51247 69922 61243 114053 68037 34444 77441 0 277705 115121 88453 0 230891 67736 92663 166177 814285 135805 146170 31425 0 114897 282662 31500 0 88664 2084000 74200 arginine 221755966 164944921 232748921 91186887 205597392 284624294 198657247 232145623 164541933 239575072 273730090 272912738 254303426 261483053 151778322 213488742 208769660 298878621 204428671 160630075 290704937 228500738 291257866 250939122 326733106 307988759 205419790 205364194 244216431 276400810 207643879 206330988 342608377 151178894 174221472 158081348 400844747 413783920 620119469 324182786 asparagine 17235286 13087995 14073620 9471085 11442480 17892940 11240992 15666369 11985530 18872873 15379038 17864308 21563088 20226977 12839130 14984387 14816810 16954649 13261696 15637527 14182273 13929219 13575365 16086043 17470327 18892184 15937112 13748244 12143477 13382975 10668518 13522677 19207882 10004653 12157179 12051500 18330174 16298647 22505483 12538639 aspartic acid 1432883105 1037789826 1780209006 1097337654 1307911746 1552627239 1867129926 1397723731 1493532826 1619270956 1719039128 1679430549 1619434856 1661208272 1560003565 1528768110 1434506074 1867538373 1740497346 1357391589 2331580052 2031160001 1697876606 1440865508 1689105108 1844999840 1676765163 1373233804 2020590184 1771148613 1664664658 1336936617 1828799924 1562217403 1635473556 1385285904 1503623333 1918977573 1815450904 1694819391 ATP / dGTP 4212878 3162205 5337922 3583479 7936549 9779198 8934196 6215461 6043523 8446698 3442683 9964510 11184584 14659761 10793318 7755030 7796408 10085676 6405683 8225063 10313932 11234441 8477887 7392542 14560595 12779483 13053940 4694563 6589747 11039201 11638880 6981432 12624057 8472265 11002842 3815185 9272191 11903519 2228633 3133508 b-alanine 9947135 16631299 18443377 11269064 11965151 24628284 23560484 21729082 20781741 15156654 6409024 14868699 12428766 18288218 16136862 20300520 17472812 25130809 23163424 18885055 28739029 25232135 18099582 14847796 10619375 13706763 10083163 15363647 22139158 9421770 21568329 14833968 19272092 15670609 15773127 18307331 17828449 26761508 20319482 19808668 betaine 220950624 172915035 221788300 219758254 265456640 151593244 430545521 154721309 340534109 303343836 236791531 245890574 226987536 294155531 409272731 381071631 321532432 436476110 345670414 189107993 451401935 538843442 418203071 194551722 219923573 192195847 190272019 182414225 433305742 415315408 355205148 429983134 217788942 376860087 488534566 370812863 1381957 460689798 216482108 276084943 carbamoyl phosphate 74862 0 0 0 79017 134033 0 54562 0 0 0 0 0 133122 148736 0 162679 0 0 0 0 0 122345 163784 41844 112707 0 0 168288 0 75603 0 0 0 38782 0 0 0 157362 0 carnitine+ 659292875 678470556 733162726 666795290 678272744 631379952 848384813 713546295 685704841 711709114 794233767 636797658 702539930 826666686 779161298 841243912 856490977 996880820 788425953 782108984 813662347 981482051 794184483 754044625 797532964 862426304 845091653 860087542 802502532 951698752 751547509 818243744 771226194 777533903 1013970741 888943307 993843337 1027810279 1270911788 909478208 CDP 445516 172882 523633 214682 288414 489553 362545 289392 652118 769134 552133 416144 741144 837851 569367 568572 570725 782879 519731 431386 597418 619360 527634 499997 1074667 830793 717124 623572 562835 647448 728604 772370 830973 653197 957395 478141 783442 1572906 323207 866571 CDP-choline 18602763 14232160 21104668 15390267 20047159 19705961 24158414 18485339 17257376 20144613 20731020 22861500 22093051 22924267 21667637 22185268 22221921 26019130 20318484 16509465 30293069 26054775 22703344 19334766 23529601 22141091 18165579 17264020 27939544 21591898 21989021 17681931 22842500 18008126 19407811 18972400 21946760 26324363 16028811 19146964 choline+ 679148021 520197174 782730463 560783269 580816149 659217591 641796524 613062480 797640910 755978698 883068892 699613582 709725374 723043589 751357181 850971656 659199603 817616585 626555647 602718100 768949983 848274322 770250272 502744964 654574150 687980980 659594065 602298691 796155644 608397710 607258999 632939463 644507774 636591103 779660338 684156970 636250541 724148547 2866570728 639278452 citraconic acid 4151247 2788893 5097017 3265362 4467039 4492791 5521092 2254906 6415470 4957514 6574856 5285429 5045771 5090688 5490517 7521493 20317191 8203866 5609372 4903035 10879849 7324356 6486729 7060933 5617707 7756989 8256232 6504063 11060390 8634418 9375149 2342570 4979961 3127907 5192567 4431489 4671043 3023771 3353298 13021625 citramalic acid 0 0 0 486999 0 0 559154 0 0 830261 707650 956072 0 1041296 367346 0 0 0 0 0 0 652676 594629 413281 464389 0 0 0 960073 0 0 0 734422 0 312055 1440378 2082205 822559 200535 2435605 citrate / citrate(iso) 735145877 461532867 772638469 571431040 767531890 757662316 989056443 713155991 766966980 1017267148 730530060 872722290 976554274 905453987 1055045962 831305406 942972279 1561992493 947731411 776962635 1546304902 1003769081 911888300 792016606 920988741 776178572 775803850 769808651 1401476161 1034096506 858246703 857711961 762720765 796287708 882067338 606283659 913415584 1031504010 2104790664 677385995 citrulline 13239412 10224237 10407200 9163368 14610195 17031732 10300085 11097715 14372419 9411504 7755938 7268182 9160755 11433831 15962903 17293118 14525124 16449105 15196593 9398646 7523222 15036908 15757663 7744516 8871277 9121210 8701797 8178900 10532451 12900689 10624077 12615587 6021863 10716147 9951752 10008679 8783116 13642807 34315911 8023484 CMP 16600440 10966969 18157257 11654206 12710768 16385370 21231419 15369159 13871883 16633807 18992144 18472466 17303341 20280121 19163328 19582122 20296298 22624704 22564662 16280642 25018699 21048659 18954100 17279324 18407311 18885015 19164660 18048022 26534211 20784963 21359491 17118197 24480453 21557326 17756778 18858037 21644631 22050966 9078260 22159024 creatine 9383459788 7279921931 10891977049 8264830243 9547689174 9689594060 12157259287 10083601157 9842822614 10870211011 11156059180 11268934605 10606112512 11037014746 11598030585 11386415838 10892527639 12954963611 10861037837 9251634375 14293274667 12946403268 10761130689 10049598685 11326808622 11276727428 10284100297 9824225150 13211705878 11407056054 11442217242 9813597790 12486526616 10649547534 10977155677 10657045521 12245304655 12616761990 11101775522 11431233549 Creatinine 38622295 39022705 53126996 57829219 29786666 73934800 63447005 58023112 42009658 77961931 70114082 72849877 57804276 60303373 64493025 61785350 71481297 79294002 49505285 35950451 78439586 54419334 64859326 43208963 71995945 51408882 46936313 74710831 87195478 57789632 53637558 54227676 77691834 62168134 98858504 99305002 89889377 122531974 82442055 164138069 CTP 0 0 0 0 12374 19054 0 0 10320 0 0 0 25163 14899 16096 37249 0 18444 13342 0 13049 15176 17642 0 12584 19210 19551 0 0 0 12597 0 0 0 15324 24430 16265 0 0 0 cystathionine 1487908 1326520 4034452 1283384 2274749 2246667 4370183 3548549 4226313 2018884 6180024 3954175 3463993 2164535 4309683 3861888 4250544 4661726 2435319 4025933 5006396 2406793 3541674 5051373 5032641 6029807 4070674 2598985 2071407 2260004 5649423 1875079 4774297 3496752 2759766 3158728 4310743 9205335 4922354 4201796 cysteine 28071 21827 602136 85112 64975 39380 228291 170011 91077 106561 253039 110869 107782 134191 0 134945 78052 69745 137239 92517 68501 90155 41748 0 78246 0 138606 0 0 0 76035 26042 201693 92736 32916 36372 26129 48107 1336775 165355 cysteine-S-sulfate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1224807 0 cytidine 16784470 13606648 22607821 16978230 18039243 17595259 35175489 19176769 19093361 23663925 20874986 25508934 22221130 19201669 30474907 25752783 20010432 29457767 20370363 15667649 44138574 28651922 22773747 17650411 22816859 19766499 20416918 19269809 42942819 25819631 28617182 18175292 27682083 26408086 26739505 28607957 22630282 31578921 23723816 18571342 cytosine 681908 550606 1024933 914989 389232 794343 1128359 705752 437659 853605 1105113 1038649 854092 826286 649193 1200008 1440018 1059093 1180908 754108 1696397 860347 756843 677404 2316550 876420 1390228 879321 1399367 725537 1551719 755946 1133609 771519 1072691 957302 2046114 1087284 1477790 2488687 dADP 15431 0 18050 0 0 0 0 0 28407 0 0 0 0 0 16583 0 0 0 0 0 19934 0 0 15539 17258 0 0 0 18861 0 14539 0 14758 12805 0 12463 0 0 0 0 dAMP 605312 20496 415986 34606 621948 822857 413334 440753 0 675364 83546 230411 278927 181162 213610 156087 221785 189560 14239 30645 0 203422 19260 14585 156788 40182 0 165660 38622 0 14726 279558 234711 865306 401603 0 326162 231529 0 758502 D-arabinono-1,4-lactone 84109565 56316111 94294583 68181747 72413392 79548030 89617051 72160098 84239844 103686595 110444389 109397627 91976718 94175572 103925849 103270495 93755247 120013976 98399444 91866577 143584235 125059796 99425224 91767874 132969278 105468560 104375939 99654890 140666654 114697122 110624547 83959188 85378349 71771247 95400975 93210212 119307107 137580377 81301729 43333508 dATP 0 0 0 24197 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22270 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12110 0 0 0 0 0 0 dCMP 29097 12843 0 23446 29663 18101 92954 18116 20299 44643 84587 74368 26226 20532 59697 29637 94467 72076 78587 40861 123428 35194 65048 39873 22232 88392 50037 60976 33397 18958 124903 61521 66603 26798 27842 42069 19168 188445 64096 49714 dCTP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15727 12745 0 0 0 0 0 0 0 0 0 0 dehydroascorbic acid 31759858 36312688 53243182 36700897 43864869 26736286 49256778 49445413 45851709 49285727 49222200 49326750 48724125 31990752 48312339 47301428 44705907 55144976 45315728 39304248 56528872 51779085 45021524 42701865 45804156 48858723 29406847 22625675 32212589 23921504 43128319 56703552 73674768 62866894 48810590 49774499 63410511 70109970 56763271 213188441 deoxyguanosine 0 0 0 0 0 0 0 0 0 0 0 0 1965864 10542329 0 0 3172021 4989894 670221 1638954 5612648 3456507 2277536 995050 0 0 3196912 2774851 0 4072682 1532269 2316894 5907823 4570161 4582775 3815139 7352580 14321045 0 1206011 deoxyinosine 0 0 0 23081 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17117 0 0 0 0 18675 0 0 90315 0 deoxyuridine 578921 555465 993232 993368 598800 1193591 3927766 1035089 816980 839249 1254046 1112634 744739 626894 1144907 637678 628422 715646 2239497 1248785 3126774 1106432 1038536 1087554 1751909 643182 668032 593229 1553962 967292 1714819 651876 1043054 1512328 1467107 1257359 1141371 1144472 1407140 1832197 D-erythrose-4-phosphate 0 0 0 0 0 25998 0 0 0 0 0 0 26155 0 0 0 0 0 27197 0 0 27862 0 0 25635 27996 0 0 28430 0 0 0 0 0 0 0 0 43141 31856 0 D-galactonic acid 9106822 6142014 8821915 7890758 11343543 10252892 14096704 8999312 9726159 9658868 11807949 10293057 8959835 9189827 12936350 11956443 11728322 16244405 11110527 5970816 17559877 14887805 12184230 7501034 10346787 9259255 9219982 7389142 16015697 13106105 16462914 11375386 10004479 10885532 11985304 11300970 10619235 14315231 10855181 10310062 D-galactosamine/glucosamine-1-phosphate 96109 86135 52795 11162 93975 38886 0 27297 29791 99743 51081 59950 42591 93579 0 67186 91342 126001 20631 61780 74427 66658 157902 45824 122361 241987 42354 45516 21976 115242 54981 112284 52429 17097 36184 0 107052 157284 133898 64397 D-galactosamine/glucosamine-6-phosphate 609725 656170 230456 99279 672872 370322 178353 500141 189982 506747 238032 622692 739241 887496 285170 563843 1261301 1053865 485575 503853 793923 902053 2682594 1129248 1822070 2500538 753056 545007 965635 1616627 742037 664655 525899 183232 431053 155482 516394 738245 361292 251538 dGDP 0 0 0 0 0 579380 0 0 0 0 0 0 0 0 0 0 0 206266 0 0 0 0 0 0 1140809 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 D-gluconic acid - 128685 0 0 345131 0 0 0 408423 0 114783 0 0 0 0 0 244806 399994 0 0 74525 660309 0 195657 0 660866 140745 331106 146469 816147 659125 0 349040 206886 0 0 568520 0 0 601629 425352 dihydroorotate 30530 0 0 0 33308 0 0 0 0 0 0 0 0 44083 0 0 0 0 0 0 0 0 39124 0 0 0 0 0 30827 0 0 0 0 0 0 0 0 0 0 0 dimethylglycine 48920620 35509114 52023705 34877005 44035459 73567317 58221162 48169628 35242337 52871749 50109614 56388318 38798122 64656019 74031546 45738031 40084087 65708481 38347298 45147403 39268266 54345009 37779467 41353558 47645640 75778968 41041180 36788597 50569009 44783144 27035566 34610986 44962896 41790565 91193506 43096997 55378962 109189658 78145366 38318287 DL-DOPA 20179 0 0 12766 0 0 29161 34174 19261 77113 18508 14627 0 0 39066 34263 0 15745 11999 27909 27183 0 0 12768 103928 0 0 0 24631 15941 24551 13515 0 18097 0 19993 0 27734 0 0 DOPAC 32741 96528 0 68835 0 50038 42451 35179 0 38471 35328 106811 31739 195602 0 0 36655 0 0 30305 35581 50758 0 38244 0 0 0 32716 43817 0 36937 38947 0 63512 0 0 33905 190746 100410 0 DOPAL 205060 425164 328873 928488 290226 268295 774511 410436 715150 864350 572172 365492 771597 597248 789283 853907 825157 407775 650840 700253 641411 447112 466203 961159 1376842 839585 767569 532446 664083 325429 960013 390357 444911 700447 376189 626522 485910 333257 637793 416607 dopamine / octopamine 475174 115154 50416 215560 167697 197129 83467 133003 201778 1138603 306696 127856 257016 195945 24174 79199 19367 353604 138925 42103 129591 63483 0 187544 106028 235884 349008 542394 310871 56120 229392 46432 101766 0 195479 316692 333333 429948 296757 0 dopamine quinone 245370 760701 300414 1134189 427406 689061 840899 348089 742451 1237567 829739 267466 761212 434905 957019 393895 335319 226539 821974 441070 518184 363242 0 846919 817467 771667 1092233 513011 949742 442756 837656 1050056 1433186 718487 382815 610021 966761 2138924 206977 1157167 DOPEG 0 0 0 32550 0 0 0 0 0 0 0 0 0 0 0 0 0 43658 0 26198 0 0 34183 0 0 0 38285 0 0 0 0 0 0 0 0 0 0 0 0 0 DOPET 38076 0 33204 0 0 47765 0 0 57493 0 32177 0 0 0 0 38437 42435 0 0 0 0 0 48798 26831 34629 0 0 0 39353 46350 0 33443 38149 0 36249 0 0 0 0 0 D-ribose-1/5-phosphate / D-ribulose 5-phosphate 12506437 10599613 18511018 12528681 13081442 13691018 21432393 14774396 15228508 16995243 22780676 17065688 15313063 15744491 16856601 17270126 14028265 21831271 11723416 10081174 23643192 18077434 14250989 10344612 14327749 14073639 15970473 12992972 21774480 16984525 18149094 11068661 12452998 13662500 14434644 13921271 12113005 21878337 42317404 13089962 D-sedoheptulose-7-phosphate 2453204 2006280 2622272 1747231 2497941 2143821 2706197 2338417 2194720 2720805 2575277 2448444 2355496 2486176 2491201 2613915 2372312 2898083 2163799 1660548 3707327 3054657 3228893 2479784 2965110 3271060 2162612 1969782 3468516 2796128 2632112 2332078 2412433 2110825 2156655 2508604 3521877 3388890 2084001 2336858 dTMP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTTP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dUMP 0 0 0 0 0 76151 64102 0 0 0 0 0 0 0 48423 44197 0 52083 0 0 52283 0 45250 0 0 0 0 0 0 42892 0 0 0 0 42545 0 45661 50655 0 0 dUTP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 epinephrine 99072 65747 109712 26912 17360 87242 103291 73233 39972 403 39214 54404 53643 32951 62707 47486 46090 50046 34014 105076 31051 73679 43406 60669 85239 158851 35393 7565 14647 0 17072 53980 140035 55750 17679 15379 121313 98909 137524 13149 F-1,6/2,6-DP 3976190 2436847 3762211 1390490 2678351 4484253 3710689 3165631 3277453 4396026 4456532 4060499 5628663 7311928 4885591 4392898 5237848 7527837 4575286 4163475 4924650 6082412 6447434 5423656 8788834 13657890 10611813 7113074 5926724 6646162 5472529 5318366 7315932 4964607 4129352 3850369 9066277 12626213 5393614 9853595 F1P 542152 626789 651802 240475 438632 699676 50997 710721 441667 680886 494650 540059 727591 882181 332061 580719 576152 757405 476161 34065 595797 785256 645094 318448 725936 931190 689689 334641 480635 526409 314610 44276 698232 259193 375549 218641 1109377 473090 28389 730691 F6P / G1P 8603928 8077510 7160277 1764002 7397149 7937055 3222145 6558444 4984556 8258137 6301994 7656854 7880626 10274355 4103159 7819865 10818114 10856982 5477467 6303393 8207689 9741180 18129623 11266195 16570745 19320434 10079406 7887567 8671144 14355341 7613910 12335709 9185891 6178080 7848837 7020245 11542964 17575635 5841464 10851023 FAD 0 139207 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156020 125818 0 0 0 0 0 0 0 0 FMN 0 0 0 0 27137 0 0 0 0 0 46826 0 24351 0 0 0 0 43696 34899 39642 0 0 85821 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25441 folic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 fructose / mannose 3808342 5903802 5052879 1868958 3701648 4889263 295904 8376981 3290773 4091279 2279476 3993730 3379395 3900289 1932222 4833816 4602704 5062466 3036802 3483149 2883204 8321123 6432628 2622058 4406318 8104880 2559483 3233132 1514836 4022436 1025437 5980213 2853313 1075970 6079158 2387327 8388404 4873983 346004 3491343 fumaric acid 7981701 6541931 7239508 9202727 11128665 7221601 23271751 9747632 6558565 11180544 13699686 13074550 16826194 20394604 15255165 11953505 15021350 20510263 22368679 7683460 31937588 23851167 11652655 17775411 17528376 8943348 11257601 12198148 24467804 21768985 20714834 20112379 13383994 16320863 18728830 16173558 19261946 22515953 10340365 15940665 G6P 43500821 36727015 55065979 31855075 35134308 43102277 51137545 44164912 39340246 47391349 45929515 52216956 50995045 54122130 50004813 47011507 47591949 54901173 45338933 38528633 57425248 52331709 63148309 52117171 73634616 14458552 56775220 44869781 71703577 56276682 50132286 44432775 62889028 48064389 48932462 40260307 57166108 55747096 9866485 39227227 GABA 490836479 419856708 532500040 399782892 534978813 531441765 624895926 539659317 540552417 572436264 523036454 499383938 526483880 460923928 492640977 515967481 462716167 633979169 441660897 442163079 638439636 567055664 527016860 491282548 461797361 454685075 408438131 436527121 508219810 505937251 498773544 499487420 540861537 475281054 512882376 506247582 510125737 683915648 1507680050 519462465 galactosamine / glucosamine 175410 14859 22038 19151 173853 157189 65350 162198 139341 150264 21101 66538 170363 185520 75717 313947 349055 567738 14294 149965 119220 378392 440302 117739 147147 495592 114360 12720 196782 319331 43261 367263 85262 0 111078 25291 196260 31081 0 16059 galactose / glucose 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12724 0 0 0 0 0 0 0 0 0 GalNAC/GlcNAC/ManNAC 716352 447984 630549 499435 741035 556264 955321 524750 816172 761076 450216 618979 658973 590225 664001 1077216 876743 763831 980392 387988 1173368 1085414 975513 509101 496288 617514 508106 444424 1271287 905622 952288 929638 730417 794737 864829 729832 702731 997950 2015101 653613 GAP / DHAP 6543771 5086174 9723724 1676676 4706721 7048956 2019419 3907796 6879167 7919601 11018299 5639160 7092507 8237310 2297443 6903808 6937188 7690028 3151508 5315043 8405713 8824034 9178302 7395052 9737519 8932569 5443976 8816842 5365400 7842298 5127442 3955873 3737749 2259858 3217223 4276066 4198039 10303899 1507631 7245178 GDP 5673212 3727649 7062921 4730256 6665721 8179190 10186342 6841927 6914675 9865088 7700850 9368727 9042997 10838093 10065725 8537161 7461285 10485743 7769386 6149519 9798653 9521058 7441231 6588314 9637108 10358594 10511947 8518789 9774689 9245326 8740692 8283043 14424130 10711736 9141616 6929784 11509639 12937477 5783396 12468977 GDP-L-fucose 178788 143581 322958 217185 503002 434003 410406 345854 290853 444302 324326 589354 410369 473017 491955 437356 309703 374836 298623 278135 463771 326180 400104 343483 412329 516611 453271 245930 480974 356259 370823 268814 499321 432996 408484 312219 522513 537292 224179 505573 glucono-lactone 0 0 0 0 0 0 0 0 0 0 0 2014001 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glutamine 1411946525 1242280335 1329999585 521544850 801439855 1442986222 416479029 1281397297 946739974 1130620542 934804584 1066291577 1262622959 1214184289 580274905 947030555 898588592 734231461 714947773 1482612951 502686054 641008544 807958837 1076604063 1244936844 1342581635 1153836558 1055686587 421720006 632435478 443259550 738982055 835148676 545395177 587916284 590141232 898357152 707600794 999145384 787000832 glutaminic acid 2605469160 2127608067 3028393417 1717164536 2255534060 3101509837 2564686499 2735048713 2256049444 2712432690 2658091765 2863458682 2782815943 2805372253 2486990907 2463214995 2450777990 2824359943 2413569449 2454702506 2991634146 2720100746 2466732833 2379617248 2982349818 3021888677 2641382084 2289734888 2838984569 2484687088 2392317581 2283183721 3040862506 2396573590 2369776412 2139518891 2601067160 2846876036 1900895981 2380195301 glutathione 95926722 51453383 101741403 40201771 86326303 114267009 95281556 112574335 49615092 103832668 57743551 67229863 73675712 78132666 63216531 50755621 66421735 46361298 59373194 52788082 28859759 50377845 49441458 52586229 66273332 49399004 42828803 46394792 36706353 35572025 32560670 125433895 184956527 182107999 96623349 89970879 129986594 137341569 8187906 240725544 glutathione disulfide 146578344 124683889 172039691 117349460 142968994 162056060 166245424 159780689 161522754 161641836 180077769 201299447 181406343 183489896 181749633 195801549 176810251 242440846 177697908 170980830 268240529 225775635 199386019 169085676 190003665 219698613 208209801 177684408 239819918 229270204 194872679 129906068 150755457 99711184 166051772 152190691 126135086 141036679 53147419 51088829 glyceraldehyde 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glyceric acid 8555879 16763525 19304939 11137857 7093174 16890934 20857665 11762652 20642669 16704499 21597025 27442022 17704917 18073905 20088328 16413642 17251286 27159723 11646145 18586109 24649440 27483508 14591882 16913801 18162756 17854670 14782065 29297770 23749702 16990893 23033424 22217650 24043589 14810127 37722639 20157236 26776941 26170549 39388820 16130655 glycerol 2/3-phosphate 174928473 140552786 181786282 125395668 233073101 228345063 255718041 211768071 164156388 208143405 107114209 200169237 215423859 250063604 230125493 260147408 247506818 335191026 177228217 156646214 355637960 319474559 251386716 178277194 160378809 233814198 167169092 130956891 293542321 264740508 211583030 222796032 261076527 200326400 206455967 153405506 246316498 215360629 24222731 91980524 glycine 22947493 13533313 36759106 47445885 40648056 21046655 106555758 24519184 42244111 41980745 45936013 49001019 51582349 43723970 46303491 42580817 35690407 55924041 62481724 49473877 86325012 59539299 31092702 33226951 46639260 42591983 31426315 26418566 51435442 36974576 62113937 37664060 52028420 34604726 40123093 42151868 36477637 43070560 51870929 35637547 glycylglycine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 167581 0 0 0 0 0 0 0 0 0 212577 0 GMP 95682792 79713232 116066113 78816053 96037174 103991706 130130512 101169777 90379323 112338911 115628408 119195225 127380409 124191453 120866432 119175916 109769103 138119262 104927936 88380077 157969292 132974686 113272862 101204910 120716292 125959480 113464781 107254949 165538753 123130109 118714484 104342475 136734671 112581558 110177490 115394166 129682491 130800593 86777362 120027887 GTP 31464 30642 30428 15385 98530 130047 364264 66511 72034 295734 119960 378821 539962 468927 533563 282822 269972 182502 155762 238965 597474 265586 187800 46423 505236 701969 799706 78773 490186 449650 262068 322220 1372505 905128 307610 227211 947041 1061605 93331 449666 guanidine 717607 1013360 1896381 13096631 18434331 627217 1624252 1300971 653564 4199658 2246200 5218246 1748466 586651 1135582 649103 16011088 867887 1351271 11815949 6618040 9064449 869183 1385303 1597710 1394614 1726837 705897 2113835 1356420 977396 3081222 1311889 1091924 5428418 5466391 4247714 2497162 3043302 4614137 guanidinoacetate 1134286 959421 1634414 2275277 2584484 1259695 2259118 1404398 2261955 1308499 2206315 2123410 1959727 1402687 2460421 2778489 2136181 3113204 2445395 1448432 3887134 3659422 3386031 2207416 1537233 2254067 1890497 1240647 2313440 2210737 3420397 1533527 2349191 2898232 2669208 2431618 2314737 4074826 2189223 2094562 guanine 1807728 1540894 2576522 1793835 2058122 1747857 2969456 2346683 2166764 2888395 2175487 2813483 2140666 1889786 2411229 2617823 2069023 2930832 1657528 1300473 4235586 2849406 2345684 1604181 2706973 2395104 2233318 1849353 3744000 2583341 2730587 1853262 2115992 2304726 2705681 2308104 2252471 2958522 12291548 1526521 guanosine 8013466 6471207 10502008 8067054 8849136 7534196 12448152 9766902 8322281 12246814 8907010 11590402 9706070 8143491 10177457 10904897 8267276 12067341 7129069 5289971 18575396 12497012 10098865 6177778 11268046 10176292 9517558 7197783 15479659 9720523 10880232 7546299 8678710 9699809 11854814 9604445 9015000 14025257 51297254 6335964 gulonic-lactone 3322802 747271 2523389 0 2961972 0 0 1627601 4361356 3994686 0 2043434 0 616635 2917261 841721 0 0 762467 2593933 4254840 2811346 2852187 703975 2647523 3507924 0 1818175 2928411 2584101 2642107 2661572 0 788981 2449728 1655412 2093452 899911 0 2200117 histamine 2109757 1254625 2025957 653535 1026457 1845417 1521467 1988820 1198249 1997222 4845508 4248242 1654349 1259219 1304785 3086705 1742214 2891678 1376833 2591292 3142700 1677814 2560097 2319684 8338352 2817104 3564216 2027355 2789070 2609386 4092341 1889810 4125246 2147649 2359445 2607583 3601029 1960324 247004 5627697 histidine 238478766 179522351 239627910 97109772 145747842 198897749 136098327 214708006 164652563 216375169 188065230 169242613 237529522 247712086 158972604 184329468 189179105 226626797 128690028 199613519 165845193 177577145 198931074 208838092 273320864 313259609 192722732 165276742 152023841 183258281 150000709 161680980 210940078 130229418 152578452 143843183 184478940 206352958 255251537 173628338 homocysteine 32376 14303 152053 0 76441 0 0 0 0 0 30968 32561 78183 95914 0 24618 32607 90754 0 19639 60348 0 74844 59923 134975 103134 0 0 0 0 33034 0 0 0 60758 71767 23366 0 265860 0 homoserine / theronine 46182664 33133990 92468190 22658757 29051191 50474751 47628051 50233978 37412130 60997971 62378110 74379182 50148540 53437692 35627323 36637473 33463728 48548081 40977654 59876426 76679472 34641020 37154672 63647615 99952896 59333348 56673095 47583174 40204010 46679038 41959747 25981344 96369578 44145915 57109708 51278613 75615894 79401006 93217782 86187010 homovanillic acid 31607 123945 0 0 22837 0 0 30436 0 31847 238270 40079 31063 0 0 46247 0 24043 0 0 0 0 0 0 93545 0 0 25251 79896 0 74894 26388 0 33458 36205 0 0 99397 197575 0 hydroxyphenyllactic acid 2516942 2367077 1513856 889670 2738876 2842225 1000857 2147487 1609384 2719899 1915621 1685898 2598189 2216492 1238720 1845351 2707268 2281344 1210992 907249 2216134 2185097 3254683 2148981 2554612 3677830 1120048 1409342 1494516 3921943 1464919 2179528 1553876 1050723 966772 1450282 2754353 3855373 3503629 1297075 hypoxanthine 30150486 22535846 32846184 26602688 30359622 27426554 40845309 35621130 33113428 38648339 59883790 46118043 34888607 32178328 35234557 38485503 27323651 40116893 24868235 20172093 58249879 34692977 35224182 27374493 49749407 38642221 35212061 30984711 51387009 38307098 37992544 35298933 42066293 38124003 46404016 44322857 43573566 57122421 568245252 42430152 IDA 303724 0 450008 410295 565989 584104 436437 0 636720 1010194 644970 418854 314034 440260 499308 273508 222913 0 476318 395066 317250 0 359779 0 541710 0 246516 511687 0 682107 554569 548020 830429 319187 1184026 1397187 438313 297530 375979 349735 IDP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27806 0 37430 0 0 0 0 0 0 0 36676 0 30711 0 0 0 0 0 0 0 0 0 98678 0 41063 imidazole-4-acetate 368406 218836 248310 239643 269500 360022 328890 288386 288225 313969 312492 279588 303458 412047 269153 383883 419201 593768 266767 265149 462968 531313 464119 316287 455700 552996 257174 183509 501619 530356 257801 531332 570971 366323 302467 471749 545392 516464 310889 236449 IMP 65289228 41471392 105226677 48830840 49876942 62477323 90173470 65945638 62710755 67338299 115790154 78390135 80071634 84817006 91136264 90942192 82080176 93315343 78442890 77387560 110771288 86730496 64374248 68157264 97008471 73865978 101761196 87685876 134145690 82718037 86033281 70638994 115370465 98679484 98750323 84551632 69389812 87286217 207721640 74526177 inosine 30239419 23462366 33856333 23775791 31989241 26727769 41754455 33788471 33688336 37871044 65718853 48084575 35764016 31120849 35730106 37196061 28441250 41852723 23573149 20016292 63194669 36606892 37495036 28493430 53421597 40355116 35047880 31649755 56196689 38503343 38656858 34705043 39877554 39898745 48314446 47117454 45406004 61274491 659659053 40313734 isonictinic acid 14034 81862 99283 86331 147513 135156 139383 35055 13865 195561 83082 118232 149730 29187 22597 14578 133469 35373 13367 107801 14152 13346 96625 102594 43688 373760 37279 102883 115718 16505 173091 37476 131285 18391 141739 290950 120956 147425 60461 89584 itaconic acid 54411170 44833778 72348606 44482284 52310042 57190206 68380105 62071258 56520712 82718489 80090564 78691523 65768381 69456848 62089645 74320290 63493482 95937447 77620845 70820023 94302259 93631828 71790813 73078043 87362525 73437069 76450356 70331322 93792788 85483533 85813670 57608262 95821020 54497659 70886678 68105127 99159549 111671928 59540949 33742976 kynurenine 260395 275017 491830 212448 41114 86866 132356 73041 60686 194007 138998 155511 219759 223291 240034 72724 125847 123355 238216 282964 493726 93339 248962 564358 992614 369392 237429 181639 455638 265336 388072 21179 371830 224359 213614 192131 338117 168317 153770 360205 lactic acid 5446622950 4305892392 5977692513 3145591091 5350560836 6900873565 4660698931 5723360243 5361006622 7050821720 5575455686 6534197034 5526276005 6836432012 4493127569 6454273278 5802538479 9776153990 4088324781 5182312067 7355409568 7571151351 8351766083 5522153155 7287423834 6892212520 5112599226 4937754217 5443011445 7354256111 5387545156 6008058283 6314376403 4692432391 5130057212 4378644908 6120364455 8737087872 7343826843 5166227941 L-arginino-succinate 1406979 1147619 1304264 737720 1460829 1733544 1424934 1612211 1068422 1563592 1811959 1835289 1598795 1941699 1240598 1311381 1648384 1801534 1350687 1100962 1901103 1546384 1683095 1860175 2438228 1730537 1076123 1338967 1665847 2057577 1575331 1535621 2291259 1014260 1365642 1104816 2650540 3028224 8169471 2210050 L-cysteic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319006 440629 418201 0 leucine / leucine(iso) 168970798 110287863 278529556 125656420 124415628 152366973 207129416 179854804 141032402 193115423 270540446 349330509 143083177 187067798 177554131 177047701 144470363 217922516 180495852 163742985 295936002 154015504 144792834 165349664 296420463 194037800 211877101 223160666 285705370 163829936 171757713 135599593 304473400 219234816 216373009 213408085 241151694 229418262 731200537 313608377 levulinic acid 0 0 0 0 0 2554899 0 0 0 0 0 0 9667517 0 0 0 0 0 7735400 0 0 0 0 11510700 0 0 1830095 0 0 2788672 0 0 4961306 0 4118962 0 6126926 1308108 0 0 L-NMMA 1748390 1508518 1229051 446551 978643 1074810 784578 1039170 1355310 1379135 1076736 1189155 2164207 2428209 916032 1491344 1377338 1614216 823714 845800 1509592 2458647 2188204 1001006 1123343 1815976 1072517 721864 755011 1532805 664723 1337851 1187278 850619 952986 1039446 1600122 1891290 4161070 1284963 lysine 93397778 75099436 115521721 54566531 91986711 100197275 97717235 93990199 89341481 109361400 79088847 89872686 131710482 151074209 105043110 120143190 123082237 149755320 109120453 83792907 140895170 134587350 135496432 88394252 131754069 139221990 105474642 90262786 109898295 113955201 87998354 98998128 147200965 80574357 92353435 81063485 149187933 186613355 201637207 105195385 maleic acid 92163415 73673396 102715988 84686150 95864347 88234994 112070962 92215238 96025661 114502246 108919007 108571357 103983394 121722260 121944138 107915328 112633786 144952039 111234835 89639161 131168925 120243042 113711235 97609246 110371086 99122896 78865918 93515324 110812034 118049789 115714240 108337224 121243245 99090336 88248667 97128628 82415251 111603310 109750396 101151382 malic acid 2318668551 1869780604 2479931485 2169066538 2478440740 2191612050 2978839867 2354021464 2398648306 2891454902 2767475066 2889432806 2613150981 3206343289 3033639616 2858240015 2863137334 3623885803 2706065272 2242337390 3448102005 3104859676 2837380770 2506708143 2928793711 2435326404 2028384046 2347170424 2924866462 2834254134 2803127175 2779162583 2949825440 2614629361 2426677715 2438461678 2070831093 2618618746 2728789460 2442592036 mesaconic acid 6590427 4361466 8493554 4729755 6322692 8117892 11780695 6751935 6620796 8463868 9468326 8858047 8596996 9483743 9450712 10156600 12157815 12181687 9086863 7837161 12860494 15044545 7967269 6467903 7036528 8430980 8827081 7527117 12347680 9441141 10736392 7859465 8449058 7854925 11405062 8839574 8943577 14527994 10608828 11294789 methionine 63831766 45780589 46480087 14216874 52080508 83010343 18379214 56917461 39911603 75090325 32021328 29090775 72801822 68539425 36464150 57338872 68576734 88792533 25934193 36736658 30737625 57369915 77539022 46022994 93367965 64045983 35871444 35327061 34262669 80927386 26046178 43437388 58088691 34295958 35785133 33520781 100063420 145598490 189154085 43695845 methyl acetoacetate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methylglyoxal 2954731 0 2554567 0 0 2814247 1408859 3163599 0 0 3284882 2708728 0 0 6602023 0 0 0 3520892 0 1511078 0 0 0 2208853 0 0 0 0 0 1706538 0 0 0 0 0 0 0 0 0 methylmalonic acid 3771181 5896013 4833700 12648114 3369620 3923730 9251228 0 4392428 4141254 5523623 5790718 4509712 4826024 8162289 0 5702066 5328045 7631835 6387621 6076626 4106394 7171987 5876784 0 5403268 7122123 7160307 6510119 0 9759489 0 7653763 9864975 6935996 0 5647394 6567241 22740422 6945480 mevalonic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 798417 0 0 0 0 0 0 0 0 0 0 841813 2019243 0 0 0 1628328 0 0 952557 279220 678589 1203784 1385455 4801346 628169 N,N-dimethylaniline 87966 0 118693 427860 264027 1207554 0 234714 811834 1742644 1322044 1017702 606727 868510 603996 639023 284096 715076 257838 160096 860084 310059 633784 455638 216890 543371 0 338633 715762 1114255 172561 61002 237365 431570 497703 495000 568877 618477 88118 473761 N1/N8-acetylspermidine 17944421 9168658 5238125 20800688 19311920 11875590 11596135 61619440 9996921 10274738 10929415 26163101 24096484 12682752 11968027 41108350 13826197 13937883 17190401 35636100 19067453 35701583 17823924 12218312 17199082 19480714 11267536 16839620 12994487 53912171 14147826 10934530 16153151 25287830 11380174 31963421 12013717 11462173 11736917 4745442 N-acetylaspartic acid 4412778873 3608415705 5597053489 3619438466 4193517245 4928320885 5247224169 4729838038 4448572007 4863810469 4575814214 4946534465 5168448978 5311437077 5398341737 4987604445 4368254490 5323634576 4911400152 4518919548 4748044224 4869837604 4841481040 4841061733 3902597775 4531498993 4508987777 4664909131 4571971033 4533360130 5205548918 4323451523 4385829103 5078227491 4437403461 4839290403 3100074111 3074023696 4098892942 4535781560 N-acetylaspartylglutamic acid 54325433 32373272 74714132 38257261 50646760 63694037 79344709 50867471 55776856 62808629 80773840 93662542 67329661 64178506 62551113 71852221 70629159 80168125 73336491 46258163 91979602 71018374 67436267 56905462 113346264 70238879 67828721 53547956 85469213 74599944 73877282 60891754 82731735 79266661 66657053 49172373 70529468 85010839 49292885 58950300 N-acetyl-b-alanine 1067408 325221 152134 110525 1180694 600984 895936 1033470 1016751 1778673 451138 924953 847069 1363980 848230 1193430 350151 605578 458047 1366187 902308 902398 855105 1031413 160563 1103527 147216 516746 226578 498129 255622 1217491 2216198 685025 527747 968385 1140397 968494 1159470 1616188 N-acetyl-DL-alanine 3515741 3379697 3858606 3474186 4554560 2824130 7188510 4291486 2611945 3714764 4464006 4231114 3852405 3664595 5162532 5374058 4615002 6292451 4814326 2980909 5340700 5739238 4822586 3002187 3894857 3213819 3758608 2761834 6408980 4714971 4837910 4836880 4202570 4209583 3654139 4550105 3856688 4867821 9957937 3653103 N-acetyl-dopamine 1909755 1236513 2144742 2233237 2609876 2158288 3399991 2052342 2453329 2827175 2099883 2412406 2528705 3052528 3867686 4018455 3864946 4811830 3115292 1885639 4682414 4415693 3205340 1725859 2318499 2374932 2235483 1838638 4607302 3258538 3315718 3590564 3836236 3091774 3167408 2970979 2661188 3972825 4968731 2052050 N-acetylglucosamine 1/6-phosphate 0 0 0 0 0 0 0 32747 0 0 0 0 0 0 0 0 0 35666 30703 0 0 29855 0 0 35217 0 0 28259 0 0 0 40722 0 0 0 0 32150 0 0 0 N-acetyl-L-glutamic acid 627468 370730 599259 464595 713351 456179 810863 524706 815842 714692 407461 490203 657034 590142 631509 1040117 805347 729633 945305 359368 1172785 1085545 974777 358705 449647 572099 508205 413664 1137099 817627 951881 907222 639356 794539 678515 729820 659208 996821 1945481 615356 NAD+ 105811437 72310384 110427354 79467524 109127135 109694064 127051928 102230870 104486781 114674064 99206715 105369880 116301653 132580222 126760478 120995711 124945605 151523977 121877052 102985298 165263887 141547901 126862249 114662469 107756840 122917002 110840477 106198705 153613674 127418341 125311813 126981305 150416281 118483918 120265805 109380479 123058696 134298945 15667141 107922501 NADH 0 168778 0 126092 0 158686 781448 491702 0 0 0 728799 537998 159992 0 314187 996772 358232 565769 197316 428336 530691 678847 635133 470029 0 391163 126628 572062 543290 129926 0 796474 1280351 336166 0 949787 160804 0 0 NADP+ 651324 557317 915510 462113 845577 706358 942225 771244 1148134 807052 921117 969067 1015505 1505534 1380321 1061137 674483 1157021 656221 522360 833933 788369 553833 549009 889230 1223447 1273718 1174501 956700 1027206 941993 955953 1371367 987960 1130601 1332546 1144021 2022038 226859 2240195 NADPH 38992 14186 0 27564 117897 128178 176825 140568 38239 158824 61624 211702 225688 252360 237549 157305 135953 115491 73025 116802 125393 155338 92676 141887 161734 285488 219670 77850 230415 290381 127002 137212 321031 204049 155244 39901 189896 128067 0 0 N-carbamoyl-L-aspartate 48800 39778 87765 151748 171468 85098 212748 131105 162590 102495 78318 67882 82842 32313 94361 190873 160579 194144 158958 82812 125752 171503 219703 44942 129590 101463 35357 87700 69022 193126 167826 234790 97337 126321 151075 0 165783 260147 82484 75923 nicotinamide 139038611 123513070 218613724 130842994 74428837 132603215 200669425 189405373 205492295 160060750 349782254 198332145 205232156 173417053 154288919 173851151 154250586 245139112 177886839 112965807 198283200 191745838 126481152 118135050 191444329 217128845 232305942 146386007 185276828 127325321 196508227 99183453 93910601 132357385 226022546 195773588 139266674 450044492 1141517561 242494888 nicotinamide riboside+ 1228779 916589 669739 1767614 1359715 909879 2125062 704992 1109390 949878 980682 850012 490414 1300800 1541420 1963276 1585749 1606793 1365043 713387 2451613 1071563 1498814 1603177 1442645 500214 468469 1014389 997098 1361192 2250603 1978160 1329996 1469300 1700490 1443408 1771875 1955019 1995433 1097436 nicotinic acid 238250 33927 170963 56754 155211 94173 32706 218940 155874 121922 66474 240673 75801 258454 169515 195620 55649 54510 58768 125241 127107 37409 143461 158326 174812 148363 208099 29786 48719 32634 195087 0 27618 38492 207860 116528 134345 221753 134283 130535 N-methyltryptamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14578 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NMN 465333 339560 393803 326588 496181 357187 687719 475845 492574 555188 305353 571820 394426 490908 663339 613000 636756 757368 542314 290666 1026417 710798 642077 406648 642391 675351 409061 464602 923470 657160 717543 714530 721749 522608 478348 595846 588278 889687 70514 486232 norepinephrine 141201 145933 100426 97840 76672 66930 85262 103066 149626 120440 109358 122024 99131 203975 88493 84721 63522 71125 156220 47375 62502 65095 71218 118847 136228 59125 191408 117048 71511 144955 108917 44579 75070 151701 112562 84449 213884 238257 167263 213800 octopamine 0 393587 413236 260821 223476 218412 242899 382735 476047 0 104893 182610 273586 0 275173 403782 488466 0 0 322513 201786 180532 404813 292498 337197 236447 64613 542394 177863 227473 262269 301589 0 315185 269583 0 0 429948 296757 613951 ornithine 2110297 2822245 4419083 3325852 2533143 2485140 4492778 3142695 1983595 2179529 2382428 2754120 2948476 2825999 4868777 2973759 5118379 4545958 3543292 2613877 7612098 4182733 6001111 2416450 3187289 2168744 3184567 3238530 5075112 5301757 2970797 2078542 3108140 3890153 4497828 4571727 6337642 7165893 7523570 4869874 orotic acid 352965 387170 574438 591174 541372 312281 619505 746234 314912 324130 765112 502821 428227 895043 370021 312123 420360 1043797 440081 398018 1003018 559895 220984 557221 853323 312243 444202 647324 1240585 640729 679967 674301 380187 496530 468735 727049 692330 211588 1057166 198478 orotidylic acid 29653 0 0 0 0 0 0 0 0 0 0 28554 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 31376 0 0 0 0 32775 oxalacetic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28630 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 57885 0 pantothenic acid 30735160 22028407 48202219 15552619 10833029 13530988 27465651 12017678 23726486 36768005 41475400 42602582 27976260 28550601 9559465 15291080 13711537 20459768 25601517 39035369 57915813 27360552 25608815 41374012 73430872 18347353 19037528 20470650 14855863 31462366 20965145 21587223 58222045 51207107 41856475 45455086 19012723 24105696 29256850 31452654 phenethylamine 467388 419387 461391 468023 254400 324145 250824 684629 811834 0 305113 739733 523446 738709 372074 748518 688446 335659 525066 483447 329121 556970 539185 455638 395130 543371 553723 477313 664052 79866 340509 488102 416308 553455 570227 308154 162131 618477 385063 519735 phenylalanine 85875042 50316110 94961521 30930858 44052841 69446404 44358810 75505318 44657022 83504588 81532198 100276191 77082730 85178450 63401665 60512880 64092205 100398434 53352741 69081133 92728708 61850253 74688733 81636867 128275752 125104311 78389350 64105115 68145834 72918250 48763953 54847083 127855583 55835473 64179707 72650970 132042182 161947987 265908214 100007361 phenylephrine / synephrine 22305 28905 23220 55125 28188 94324 81725 32804 82010 115266 18047 12768 52440 102717 85955 86080 33555 139385 159532 48264 137599 73096 164660 49054 142997 80974 57708 72032 88427 45616 33878 92131 69780 96389 129512 118702 0 0 46648 90583 phosphocreatine 67293796 39976202 89893790 54081083 108334160 93045344 98492259 86125270 55922425 83159538 24139711 90147363 80608921 79131016 103509229 103048502 72959435 106403168 80087596 96310797 127285474 94458617 50136255 34636485 53959097 41391718 55987034 14870669 46978179 62046517 101131713 24314240 50885890 45576215 76101680 7839065 31977267 20430122 4368769 2806399 phosphoenolpyruvate 2157171 398321 2361483 225745 1218436 1705631 422675 1963773 2374682 2276496 3028034 1925323 2058272 2326271 998292 1909488 1559592 2114235 882980 1037278 1324841 1745868 1536878 959771 1913172 2152776 1804569 2245799 972023 1504284 1101613 1424511 1838793 1142055 957246 1764185 4274065 7761398 7649540 5352995 phosphorylcholine+ 305024591 237548474 329180038 204538314 289929797 267018977 379977538 336868068 369881935 391598455 329646205 307036738 391007276 427387465 319737639 360020455 423610465 571115744 343004171 234973155 544462351 550545825 467078309 267695397 406208640 418165685 308758860 289043241 475963015 471667755 363632748 352170619 442964735 337553442 311966688 262474056 459322490 575603365 440572387 350723006 picolinic acid 1740579 1165035 1181765 1203159 1824304 766181 2682838 1288656 1015251 865725 335887 1310404 746190 970180 692802 1383156 608749 1288719 1291502 2148934 787406 460467 1120026 505763 926769 953654 365752 939086 900876 758770 749594 801747 945232 689540 722553 994471 455707 10541957 498574 3968945 proline 159221480 90497874 249735726 122776799 158194813 170010824 325199312 177696675 163344338 211572360 242339447 238520784 217614640 224591890 263941624 242884939 220866219 377636566 220551421 152806903 395948088 300208467 233114872 192015383 310594876 272806650 230546220 189072714 397170120 279564232 251074163 219590037 406766908 299812792 259290128 215871340 327396944 476833996 471810922 248542371 PRPP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25860 0 0 0 0 0 0 0 0 0 23497 0 0 0 0 0 0 0 0 0 25389 pseudouridine 2559429 2640463 3102944 2712256 2523124 2509001 4361158 2564338 2801678 3349367 2917474 2976785 3378510 3150614 3658124 3108675 2746999 3553706 3964271 2487014 5125537 3760722 3332005 3055023 3884792 3032851 2980989 2795352 5139928 3593221 5022186 3189674 4138644 3651335 3779465 3677813 3364826 4023515 2895544 2638050 putrescine 5547182 2513547 1484196 8242219 4552440 3543733 3882116 14527862 3737326 3325344 4035124 9230985 10002060 4195812 3583400 5386265 3694623 3417851 4370039 7772233 6338091 13557043 5091346 3561421 5868512 7705739 3774215 5176041 3468961 11432374 3969218 2871251 3884249 8417854 3240681 6139426 2554154 2028474 1693184 794497 pyridoxine 24011 23708 46470 23574 0 21332 45951 22369 51149 25780 27605 27267 0 0 25137 28941 37448 53917 26910 22744 28310 25795 26450 30114 26069 27396 25340 30528 0 21726 34070 0 36793 37298 29496 35936 91022 55052 29218 0 pyruvic acid 17876245 7370101 22300792 7358399 15943141 21042823 16465390 17125205 24574831 27053207 17560924 17032366 18559879 23829769 16492226 21637772 20756288 29970535 21679238 16846274 32891723 28102402 13513224 10035472 21370132 11054119 12078804 16423863 13895978 12445920 9141214 16306670 15743863 9447124 17129674 19168164 18810018 51855376 21104400 31673662 S-adenosyl-L-homocysteine 273064 130288 133169 217311 636183 416897 492359 897175 486778 473821 540204 574125 454572 390158 391461 349857 414296 274092 567834 297612 384631 724977 485132 703795 788240 681903 693307 790420 435822 544782 261021 196663 136129 372322 517024 473047 387933 671711 699056 0 S-adenosyl-L-methionine+ 18628944 13850730 24377525 12267255 19540232 17506789 22654349 18313367 18165904 23313543 23052465 24963681 20779221 21183408 27538216 23153222 20609492 25495353 20731160 18599357 33528324 26614358 24297572 23366139 28073691 22515443 19739696 16370578 35870121 24743195 25117728 21520711 15370789 22540425 23278511 19961692 20628878 24196144 10986815 21191376 S-adenosylmethioninamine+ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 30824 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 serine 76359565 63176797 95854618 48399249 71857696 77481897 79443111 91673190 70511460 89710342 86483171 97955223 97003856 81802012 63341987 71379949 91449852 77527796 85670811 81960184 90397098 84300847 87130664 95125795 128171189 82534916 78642626 76945224 75892943 78061615 60379189 91611613 91979384 55066090 72721764 64124576 97938589 92444805 101605481 99178463 serotonin 3271892 1595253 3745881 1460033 2197507 3266150 2602993 2648019 2038065 4961128 4405271 3949994 3022222 2582321 2383755 2806604 2390349 3053111 2722425 3054895 5283723 3566053 2748771 2666140 5144659 3616175 3992663 2948592 4339711 3429762 3075328 2473402 4595563 3023339 3517283 2734426 4084559 5084554 909584 3867581 spermidine 20011610 23903113 23962246 27133219 28591588 33206205 31567676 35106591 36096916 38199467 39129454 41615945 40345466 40703309 43542046 43335146 45018051 42249354 45233265 44240193 43597087 44368699 47696862 44614516 44491046 43927868 44832092 46341913 40538920 43951376 42576531 43462794 42433835 44547708 48915664 49629454 53635306 44886714 51274540 41797535 spermine 20726783 20795782 21233635 20451994 21025324 21670031 21635526 22647499 22086227 22612058 22851735 23825300 23914735 22711494 25185753 26310221 26263135 25657930 25008668 27378501 26736641 27476983 27071673 24170442 24162288 24562756 24926421 24905533 23533014 23679217 22433501 23697917 23679443 22959151 28151614 27761100 29134251 25504656 29635477 25178927 succinic acid 88162523 79287885 89644588 91607446 105973013 91666952 130781885 101997515 89165784 127324549 87481538 119206641 109170149 128740782 124389780 114512060 123979432 163187356 102584257 82220235 175983135 141663084 123894165 105338816 128481489 114150057 100730642 110174977 157262082 144195269 126659513 130712310 145421155 114288101 118414751 119180335 165698522 193600390 14584337 129189451 succinic semialdehyde 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 taurine 3116243215 2202874421 3727270699 2736640970 3218518017 2959409405 4311795235 3194520761 3328439618 3451492440 3518861401 3634605740 3532659560 3575138590 3910795869 4029590766 3821817562 4743855298 3865223387 3018041446 4815198633 4512360043 4050496119 3118894155 3632160969 3674202722 3510007087 3128537082 4578472199 3787386619 3852963956 3627071918 4107163448 3633597181 3656004326 3461737177 3406394932 4243395300 2900981583 3277622089 thiamine+ 2368779 2561927 3161238 2374137 2583808 3807379 1466853 3493644 3119898 4217259 5012250 3636020 3033579 4673998 3722315 5123584 3858213 4809622 2666901 3393146 3466224 3016861 4008286 3801587 4770957 5130100 4206166 3251665 4317139 4524041 4041522 4503894 4188568 2350470 2819287 3270142 3305035 4117874 15446101 1697544 thymidine 505672 496454 942958 880500 414846 1409502 3857434 1272958 659252 699933 1215781 996582 622380 713048 1176556 417182 591354 617263 2137176 1064015 3175861 1288683 915793 964146 1449667 709991 542610 608044 1460107 1006220 1634998 543588 1202283 1348272 1305715 1179028 1026227 1036689 1795268 2140136 thymine 558757 600708 2478225 1782426 589784 2193211 6747129 2080142 918779 1175675 1262556 1208547 1219068 536134 1486026 795369 785961 1130474 2241362 2214521 2716928 1525277 1643573 2081849 1636431 875240 1046887 1058969 1968206 1359866 1543257 1177643 1337728 1380368 1218349 1159985 2383200 3209753 5721509 2562250 tryptamine 0 0 0 0 0 0 0 0 0 14585 14790 0 0 0 14296 0 0 0 0 0 0 0 0 0 0 0 0 0 42635 0 0 0 0 0 0 0 18599 0 78397 0 tryptophan 15697539 12758929 14678777 9138739 12236937 11893687 9964822 13358756 9658286 21040325 13384983 17450856 12909725 15252784 15068147 11135021 13693833 20898539 10858719 14654214 25253168 11677922 14839965 21049320 32873026 26076079 10660713 12647043 14729047 17994582 12673351 10386494 26844597 19963996 15385016 14854784 29228200 32733481 43230173 20344493 tyramine 42543 66172 74683 40655 104344 64225 100133 36191 97148 101081 58509 69949 67814 81165 117635 37980 69394 82547 75579 24152 71455 57335 68815 106985 181376 15896 17604 30506 53632 65167 62233 34491 82777 88655 47644 54267 38542 55874 160147 42601 tyrosine 37794734 30930243 22163533 7832827 22898995 38510127 13299154 35126206 19889120 33137504 19900808 23596166 49858817 38547163 19974870 29055053 44365391 48316308 15849635 15783897 24087208 33480921 40561492 27126147 51722719 50845580 19279767 20604766 15523563 53792392 13755944 33518436 36198283 13906767 15611216 21768522 46317251 72906241 97478127 28508277 UDP 3305662 1177929 4238520 1695347 2045958 3344722 3405772 2650191 3834534 4659153 3720509 3707530 4802793 4888280 4334792 3775321 3594139 4865321 3771475 2890944 2938289 4127546 3407034 3860247 7154716 5527329 5301683 3996977 3839404 4107785 3492015 4407067 5958863 4073782 5464990 3135631 5177392 6732715 734789 3998347 UDP-D-glucose 11509727 7570470 13158504 9835614 13092929 13335373 17857739 12837374 11942707 16338980 13540939 18171851 15784338 19228550 20449084 16968919 16672588 21216017 13715182 11222320 20250561 18578521 14033148 12735821 19469371 18370047 16445408 13501071 20349274 17825860 18615144 13756274 21680764 16395992 15532866 14540769 16770059 20125754 11635320 15892356 UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine 13364204 9164620 15701292 9870985 13062693 15161350 21703532 14023633 12657594 16737895 14959431 17929214 17347710 19579182 20144708 17475197 17659789 21961869 16664323 12588860 24282946 19202432 16521110 15131848 20545622 19430289 18700873 15835828 21768150 19085583 21821704 16030072 24297323 18885499 17022793 15716004 18380942 21626609 9720305 17362078 UMP 36884439 24077691 51124417 26685016 28453590 37695181 56032019 33114023 32780227 37281488 50880417 41882828 39592736 48294669 49081361 43391280 43832464 53431564 48795460 40786633 60236785 47881791 42759784 41982507 46635586 46051545 46709606 43561669 66580344 43343541 46056018 41078989 65683341 50924317 39053002 39280112 43023915 42272756 9263297 48660320 uracil 38585316 33467027 69513187 54489574 51719898 57271847 135953527 58670869 58454575 49002712 70769785 63874614 47493802 42841702 69172864 56928663 48372880 74464874 67064669 41614730 108751217 61112363 50559885 52699441 45060619 38949404 51323061 53811826 113424656 64467306 86824756 45438432 68069864 73262755 82608814 73821186 46404508 86560424 320062754 61515957 urea 29148360 20954773 40016256 23071037 28728100 34608254 60454324 37564348 36909604 41796348 42105963 44215704 32059546 31017508 35915076 42298465 28513068 45331901 62680847 28595677 62249295 32188967 34042601 36411121 54402354 37606469 48372951 35428735 86923923 53189594 78045807 39418998 58077568 44682433 55822006 47195175 58547572 59365537 35408881 55989548 uric acid 2103751 1748180 2870722 2332105 2283131 1796132 3693604 1942533 1899411 2440661 3148053 3671592 2028369 2046991 2983064 2418957 2466173 3266806 2751074 2406909 5161836 2868109 2187561 2789308 3553011 1859012 1986122 2301459 3422415 2909343 4069011 2853025 4253701 3243142 2805146 3015897 2740462 3432255 6859829 4856649 uridine 29251637 23985465 40474901 26636795 30371817 28214985 51411469 31557466 31882279 38154669 36959481 41741332 37076552 31619408 42210877 38737134 46807219 43046974 32625330 25301338 65783461 42712051 32802417 29514411 38668156 34180602 35013321 31473894 63036078 37127391 42261324 31650653 42642599 43717621 49086045 43155170 31797131 48050454 51397258 29965086 UTP 0 0 29086 0 27577 0 77676 29806 0 35958 0 115271 122305 183264 108924 36572 77039 84070 34651 126695 92431 115604 0 35434 212643 135995 132752 30150 0 36143 108530 71124 190173 125968 144168 0 41024 0 0 0 valine 64999078 41125748 86547876 37092771 44734819 65766194 92332248 72022644 51348504 72175222 99739367 133367633 61617970 63924778 81025082 65917264 64510345 96314360 101156562 64612462 119634646 53332285 54612956 61298621 104710983 68514376 66084728 61414108 77584101 65691519 69862791 43053090 111913080 90067115 79280868 73435480 94060265 95114047 189825096 113549367 xanthine 10409954 7951831 11825760 10525324 9310911 9729784 12328807 10954628 10301515 12218033 17862716 13689147 10655354 9595209 12938111 10684103 9821769 13319277 10840105 8617172 15076727 11084386 9039682 9124501 13763434 10517442 10664137 10640993 13795658 10526402 12606178 9105035 12107856 11907352 12405340 13808310 11404279 14443330 124621079 12397011 xanthosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 XMP 13397 0 23006 0 0 11541 18653 28602 27464 36870 14539 35254 27449 0 0 18249 17285 52174 38035 11227 50785 26137 23745 47188 50923 0 11489 0 18903 0 12399 36505 0 13960 18431 24172 52569 13125 547865 19110 y-glutamylcysteine 0 0 0 0 0 116430 0 0 0 0 0 0 0 0 0 0 0 0 0 110616 0 0 0 0 0 0 0 0 0 0 0 223822 0 0 130995 0 0 167594 0 334297 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID (S)-4-hydroxymandelonitrile + C03742 1,3-bisphospho-D-glycerate C00236 1-methylnicotinamide+ C02918 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine C04640 2,3-bisphospho-D-glycerate C01159-C03339 2/3-phosphoglycerate C00631 / C00197 2-aminobutanoate C02261 2-aminoisobutanoate C03665 2-HG C02630 2-hydroxybutanoic acid C05984 2-keto-isovaleric acid C00141 2-ketovaleric acid C06255 2-oxobutanoic acid C00109 3- / 7-methylguanine C02230 / C02242 3,4-dihydroxymandelic acid C05580 3,4-dihydroxyphenylpropanoate C10447 3-aminoisobutanoate C05145 3-hydroxybutanoic acid C01089 3-hydroxyphenylacetic acid / vanillin C05593 / C00755 3-hydroxypropanoic acid C01013 3-methoxytyramine C05587 3-phosphohydroxypyruvic acid C03232 3-phospho-serine C01005 3-ureidopropionic acid C02642 4-hydroxybutanoic acid C00989 4-hydroxyphenylacetic acid C00642 4-hydroxyphenylpyruvic acid - C01179 4-hydroxyproline C01157 4-phosphopantothenate C03492 5,6-dihydroxyindole C05578 5-aminolevulinate C00430 5-methylcytosine C02376 5-methyl-THF C00440 5'-methylthioadenosine C00170 6-aminocaproic acid C02378 6-O-methylguanine n/a 6-phosphogluconic acid C00345 6-phosphoglucono-D-lactone C01236 acetoacetic acid C00164 acetylcholine+ C01996 aconitic acid C00417-C02341 adenine C00147 adenosine C00212 adenylosuccinate C03794 ADP C00008 ADP-D-glucose C00498 agmatine C00179 AICA ribonucleotide C04677 a-KG C00026 alanine C00041-C00133 allantoin C01551 AMP / dGMP C00020 / C00362 anandamide C11695 arginine C02385 asparagine C16438 aspartic acid C16433 ATP / dGTP C00002 / C00286 b-alanine C00099 betaine C00719 carbamoyl phosphate C00169 carnitine+ C00487 CDP C00112 CDP-choline C00307 choline+ C00114 citraconic acid C02226 citramalic acid C00815 citrate / citrate(iso) C00158 / C00311 citrulline C00327 CMP C00055 creatine C00300 Creatinine C00791 CTP C00063 cystathionine C00542 cysteine C00736-C00097 cysteine-S-sulfate C05824 cystine C01420 cytidine C00475 cytosine C00380 dADP C00206 dAMP C00360 D-arabinono-1,4-lactone C00652 dATP C00131 dCDP C00705 dCMP C00239 dCTP C00458 dehydroascorbic acid C05422 deoxyguanosine C00330 deoxyinosine C05512 deoxyuridine C00526 D-erythrose-4-phosphate C00279 D-galactonic acid C00880 D-galactosamine/glucosamine-1-phosphate C03783 / C00352 D-galactosamine/glucosamine-6-phosphate C06377 / C06156 dGDP C00361 D-gluconic acid - C00257 dihydroorotate C00337 dimethylglycine C01026 DL-DOPA C00355 DOPAC C01161 DOPAL C04043 dopamine / octopamine C03758 / C04227 dopamine quinone C17755 DOPEG C05576 DOPET n/a D-ribose-1/5-phosphate / D-ribulose 5-phosphate C00620 / C00117 / C00199 D-sedoheptulose-7-phosphate C05382 dTMP C00364 dTTP C00459 dUMP C00365 dUTP C00460 epinephrine C00788 F-1,6/2,6-DP C00354 / C00665 F1P C01094 F6P / G1P C00085 / C00103 FAD C00016 FMN C00061 folic acid C00504 fructose / mannose C00095 / C00159 fumaric acid C00122 G6P C00092 GABA C00334 galactosamine / glucosamine C02262 / C00329 galactose / glucose C00124 / C00267 GalNAC/GlcNAC/ManNAC C01074 / C00140 / C00645 GAP / DHAP C00118 / C00111 GDP C00035 GDP-L-fucose C00325 glucono-lactone C00198 glutamine C00303 glutaminic acid C00302 glutathione C00051 glutathione disulfide C00127 glyceraldehyde C02426 glyceric acid C00258 glycerol 2/3-phosphate C02979 / C00093 glycine C00037 glycylglycine C02037 GMP C00144 GTP C00044 guanidine C17349 guanidinoacetate C00581 guanine C00242 guanosine C00387 gulonic-lactone C01040 histamine C00388 histidine C00768 homocysteine C05330 homoserine / theronine C00263 / C00188 homovanillic acid C05582 hydroxyphenyllactic acid C03672 hypoxanthine C00262 IDA C19911 IDP C00104 imidazole-4-acetate C02835 IMP C00130 inosine C00294 isonictinic acid C6H5NO2 itaconic acid C00490 kynurenine C01718 lactic acid C01432 L-arginino-succinate C03406 L-cysteic acid C00506 leucine / leucine(iso) C16439 / C16434 levulinic acid n/a L-NMMA C03884 lysine C00047/C00739 maleic acid C01384 malic acid C00711 mesaconic acid C01732 methionine C00073 methyl acetoacetate n/a methylglyoxal C00546 methylmalonic acid C02170 mevalonic acid C00418 N,N-dimethylaniline C02846 N1/N8-acetylspermidine C00612 / C01029 N-acetylaspartic acid C01042 N-acetylaspartylglutamic acid C12270 N-acetyl-b-alanine C01073 N-acetyl-DL-alanine n/a N-acetyl-dopamine n/a N-acetylglucosamine 1/6-phosphate C04501 / C00357 N-acetyl-L-glutamic acid C00624 NAD+ C00003 NADH C00004 NADP+ C00006 NADPH C00005 N-carbamoyl-L-aspartate C00438 nicotinamide C00153 nicotinamide riboside+ C03150 nicotinic acid C00253 N-methyltryptamine C06213 NMN C00455 norepinephrine C00547 octopamine C04227 ornithine C01602 orotic acid C00295 orotidylic acid C01103 oxalacetic acid C00036 pantothenic acid C00864 phenethylamine C05332 phenylalanine C02057 phenylephrine / synephrine C07441 / C04548 phosphocreatine C02305 phosphoenolpyruvate C00074 phosphorylcholine+ C00588 picolinic acid C10164 proline C16435 PRPP C00119 pseudouridine C02067 putrescine C00134 pyridoxine C00314 pyruvic acid C00022 S-adenosyl-L-homocysteine C00021 S-adenosyl-L-methionine+ C00019 S-adenosylmethioninamine+ C01137 serine C00716 serotonin C00780 spermidine C00315 spermine C00750 succinic acid C00042 succinic semialdehyde C00232 taurine C00245 thiamine+ C00378 thymidine C00214 thymine C00178 tryptamine C00398 tryptophan C00806 tyramine C00483 tyrosine C01536 UDP C00015 UDP-D-glucose C00029 UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine C00203 / C00043 UMP C00105 uracil C00106 urea C00086 uric acid C00366 uridine C00299 UTP C00075 valine C16436 xanthine C00385 xanthosine C01762 XMP C00655 y-glutamylcysteine C00669 METABOLITES_END #END