#METABOLOMICS WORKBENCH my265_20220801_013607_mwtab.txt DATATRACK_ID:3375 STUDY_ID:ST002242 ANALYSIS_ID:AN003660 PROJECT_ID:PR001431 VERSION 1 CREATED_ON August 1, 2022, 2:14 am #PROJECT PR:PROJECT_TITLE Hypoxia promotes osteogenesis via regulating the acetyl-CoA-mediated PR:PROJECT_TITLE mito-nuclear communication. PR:PROJECT_SUMMARY Bone-mesenchymal stem cells (MSCs) reside in a hypoxic niche that maintains PR:PROJECT_SUMMARY their differentiation potential. Although the role of hypoxia (low oxygen PR:PROJECT_SUMMARY concentration) in the regulation of stem cell function has been previously PR:PROJECT_SUMMARY reported, with normoxia (high oxygen concentration) leading to impaired PR:PROJECT_SUMMARY osteogenesis, the molecular events triggering changes in stem cell fate PR:PROJECT_SUMMARY decisions in response to high oxygen remain elusive. Here, we study the impact PR:PROJECT_SUMMARY of normoxia on the mito-nuclear communication with regards to stem cell PR:PROJECT_SUMMARY differentiation. We show that normoxia-cultured MSCs undergo profound PR:PROJECT_SUMMARY transcriptional alterations which cause irreversible osteogenesis defects. PR:PROJECT_SUMMARY Mechanistically, high oxygen promotes chromatin compaction and histone PR:PROJECT_SUMMARY hypo-acetylation, particularly on promoters and enhancers of osteogenic genes. PR:PROJECT_SUMMARY Although normoxia induces metabolic rewiring resulting in high acetyl-CoA PR:PROJECT_SUMMARY levels, histone hypo-acetylation occurs due to trapping of acetyl-CoA inside PR:PROJECT_SUMMARY mitochondria, owing to lower CiC activity. Strikingly, restoring the cytosolic PR:PROJECT_SUMMARY acetyl-CoA pool remodels the chromatin landscape and rescues the osteogenic PR:PROJECT_SUMMARY defects. Collectively, our results demonstrate that the PR:PROJECT_SUMMARY metabolism-chromatin-osteogenesis axis is heavily perturbed in response to high PR:PROJECT_SUMMARY oxygen and identify CiC as a novel, oxygen-sensitive regulator of the MSC PR:PROJECT_SUMMARY function. PR:INSTITUTE CECAD Research Center PR:LAST_NAME Yang PR:FIRST_NAME Ming PR:ADDRESS Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany PR:EMAIL ming.yang@uni-koeln.de PR:PHONE 4922147884306 #STUDY ST:STUDY_TITLE Hypoxia promotes osteogenesis via regulating the acetyl-CoA-mediated ST:STUDY_TITLE mito-nuclear communication. ST:STUDY_SUMMARY Bone-mesenchymal stem cells (MSCs) reside in a hypoxic niche that maintains ST:STUDY_SUMMARY their differentiation potential. Although the role of hypoxia (low oxygen ST:STUDY_SUMMARY concentration) in the regulation of stem cell function has been previously ST:STUDY_SUMMARY reported, with normoxia (high oxygen concentration) leading to impaired ST:STUDY_SUMMARY osteogenesis, the molecular events triggering changes in stem cell fate ST:STUDY_SUMMARY decisions in response to high oxygen remain elusive. Here, we study the impact ST:STUDY_SUMMARY of normoxia on the mito-nuclear communication with regards to stem cell ST:STUDY_SUMMARY differentiation. We show that normoxia-cultured MSCs undergo profound ST:STUDY_SUMMARY transcriptional alterations which cause irreversible osteogenesis defects. ST:STUDY_SUMMARY Mechanistically, high oxygen promotes chromatin compaction and histone ST:STUDY_SUMMARY hypo-acetylation, particularly on promoters and enhancers of osteogenic genes. ST:STUDY_SUMMARY Although normoxia induces metabolic rewiring resulting in high acetyl-CoA ST:STUDY_SUMMARY levels, histone hypo-acetylation occurs due to trapping of acetyl-CoA inside ST:STUDY_SUMMARY mitochondria, owing to lower CiC activity. Strikingly, restoring the cytosolic ST:STUDY_SUMMARY acetyl-CoA pool remodels the chromatin landscape and rescues the osteogenic ST:STUDY_SUMMARY defects. Collectively, our results demonstrate that the ST:STUDY_SUMMARY metabolism-chromatin-osteogenesis axis is heavily perturbed in response to high ST:STUDY_SUMMARY oxygen and identify CiC as a novel, oxygen-sensitive regulator of the MSC ST:STUDY_SUMMARY function. ST:INSTITUTE CECAD Research Center ST:LAST_NAME Yang ST:FIRST_NAME Ming ST:ADDRESS Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany ST:EMAIL ming.yang@uni-koeln.de ST:PHONE 4922147884306 #SUBJECT SU:SUBJECT_TYPE Cultured cells 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 - AP02_01 Treatment:normoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_01 SUBJECT_SAMPLE_FACTORS - AP02_02 Treatment:normoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_02 SUBJECT_SAMPLE_FACTORS - AP02_03 Treatment:normoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_03 SUBJECT_SAMPLE_FACTORS - AP02_04 Treatment:normoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_04 SUBJECT_SAMPLE_FACTORS - AP02_09 Treatment:hypoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_09 SUBJECT_SAMPLE_FACTORS - AP02_10 Treatment:hypoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_10 SUBJECT_SAMPLE_FACTORS - AP02_11 Treatment:hypoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_11 SUBJECT_SAMPLE_FACTORS - AP02_12 Treatment:hypoxia | Cellular fraction:whole cell RAW_FILE_NAME=AP02_12 SUBJECT_SAMPLE_FACTORS - AP02_17 Treatment:normoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_17 SUBJECT_SAMPLE_FACTORS - AP02_18 Treatment:normoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_18 SUBJECT_SAMPLE_FACTORS - AP02_19 Treatment:normoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_19 SUBJECT_SAMPLE_FACTORS - AP02_20 Treatment:normoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_20 SUBJECT_SAMPLE_FACTORS - AP02_25 Treatment:hypoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_25 SUBJECT_SAMPLE_FACTORS - AP02_26 Treatment:hypoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_26 SUBJECT_SAMPLE_FACTORS - AP02_27 Treatment:hypoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_27 SUBJECT_SAMPLE_FACTORS - AP02_28 Treatment:hypoxia | Cellular fraction:mitochondrial RAW_FILE_NAME=AP02_28 SUBJECT_SAMPLE_FACTORS - AP02_33 Treatment:normoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_33 SUBJECT_SAMPLE_FACTORS - AP02_34 Treatment:normoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_34 SUBJECT_SAMPLE_FACTORS - AP02_35 Treatment:normoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_35 SUBJECT_SAMPLE_FACTORS - AP02_36 Treatment:normoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_36 SUBJECT_SAMPLE_FACTORS - AP02_41 Treatment:hypoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_41 SUBJECT_SAMPLE_FACTORS - AP02_42 Treatment:hypoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_42 SUBJECT_SAMPLE_FACTORS - AP02_43 Treatment:hypoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_43 SUBJECT_SAMPLE_FACTORS - AP02_44 Treatment:hypoxia | Cellular fraction:cytosolic RAW_FILE_NAME=AP02_44 #COLLECTION CO:COLLECTION_SUMMARY To isolate mitochondrial and cytosolic cellular fractions we followed a CO:COLLECTION_SUMMARY previously published rapid subcellular fractionation method (Lee et al., 2019). CO:COLLECTION_SUMMARY Briefly, on the day of the experiment, cells were washed twice with ice-cold PBS CO:COLLECTION_SUMMARY and scraped from the flasks with 2 ml PBS. 1:4 of cells was transferred to a CO:COLLECTION_SUMMARY tube and served as the whole cell lysate (WCL). After a brief centrifugation CO:COLLECTION_SUMMARY step (10,000 g, 3 minutes, 4 °C), supernatant was removed and 300 ul of CO:COLLECTION_SUMMARY metabolite extraction solution (50%MetOH:30%acetonitrile:20% ultrapure water) CO:COLLECTION_SUMMARY was added to samples. Samples were incubated with the extraction buffer for 20 CO:COLLECTION_SUMMARY minutes in a dry-ice MetOH water-bath and were then subjected to metabolite CO:COLLECTION_SUMMARY extraction. The rest 3:4 of cells was subjected to digitonin-based cellular CO:COLLECTION_SUMMARY fractionation. More precisely, after a brief centrifugation step (10,000 g, 10 CO:COLLECTION_SUMMARY sec, 4 °C), supernatant was removed and the pellet was resuspended in 1 ml of CO:COLLECTION_SUMMARY ice-cold digitonin-PBS buffer (1mg/ml). Following quick centrifugation (10,000 CO:COLLECTION_SUMMARY g, 10 sec, 4 °C), supernatant and pellet were collected as the cytosolic and CO:COLLECTION_SUMMARY mitochondrial fractions, respectively. 4 ml of 50%MetOH:30%acetonitrile was CO:COLLECTION_SUMMARY added in the cytosolic fractions to extract metabolites. Samples were incubated CO:COLLECTION_SUMMARY for 20 minutes in a dry-ice MetOH water-bath and were then subjected to CO:COLLECTION_SUMMARY metabolite extraction. The mitochondrial fraction was resuspended in 100 ul CO:COLLECTION_SUMMARY metabolite extraction solution and incubated for 20 minutes in a dry-ice MetOH CO:COLLECTION_SUMMARY water-bath and were then subjected to metabolite extraction. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Commercially available MSCs were cultured in T175 flasks under normoxic or TR:TREATMENT_SUMMARY hypoxic conditions for seven days, in cell culture medium (MEM-Alpha TR:TREATMENT_SUMMARY supplemented with 10% FBS and 1% penicillin/streptomycin). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The cell extract suspension was incubated for 15 minutes, at 4 °C, shaking in SP:SAMPLEPREP_SUMMARY a thermomixer at maximum speed. Samples were then centrifugated for 20 minutes SP:SAMPLEPREP_SUMMARY at 4 °C, at 13,000 rpm. The top 80% of the supernatant was collected and SP:SAMPLEPREP_SUMMARY subjected to LC/MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation of metabolites was achieved using a Millipore Sequant CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm) equipped with a 2.1 × 20 mm CH:CHROMATOGRAPHY_SUMMARY guard column (both 5 mm particle size) with a binary solvent system. Solvent A CH:CHROMATOGRAPHY_SUMMARY was 20 mM ammonium carbonate, 0.05% ammonium hydroxide; Solvent B was CH:CHROMATOGRAPHY_SUMMARY acetonitrile. The column oven and autosampler tray were held at 40 °C and 4 CH:CHROMATOGRAPHY_SUMMARY °C, respectively. The chromatographic gradient was run at a flow rate of 0.200 CH:CHROMATOGRAPHY_SUMMARY mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% CH:CHROMATOGRAPHY_SUMMARY B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. CH:CHROMATOGRAPHY_SUMMARY Samples were randomized and the injection volume was 5 µl. A pooled quality CH:CHROMATOGRAPHY_SUMMARY control (QC) sample was generated from an equal mixture of all individual CH:CHROMATOGRAPHY_SUMMARY samples and analysed interspersed at regular intervals. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-pHILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Metabolites were measured with Vanquish Horizon UHPLC coupled to an Orbitrap MS:MS_COMMENTS Exploris 240 mass spectrometer (both Thermo Fisher Scientific) via a heated MS:MS_COMMENTS electrospray ionization source. The spray voltages were set to +3.5kV/-2.8 kV, MS:MS_COMMENTS RF lens value at 70, the heated capillary held at 320 °C, and the auxiliary gas MS:MS_COMMENTS heater held at 280 °C. The flow rate for sheath gas, aux gas and sweep gas were MS:MS_COMMENTS set to 40, 15 and 0, respectively. For MS1 scans, mass range was set to MS:MS_COMMENTS m/z=70-900, AGC target set to standard and maximum injection time (IT) set to MS:MS_COMMENTS auto. Data acquisition for experimental samples used full scan mode with MS:MS_COMMENTS polarity switching at an Orbitrap resolution of 120000. Data acquisition for MS:MS_COMMENTS untargeted metabolite identification was performed using the AcquireX Deep Scan MS:MS_COMMENTS workflow, an iterative data-dependent acquisition (DDA) strategy using multiple MS:MS_COMMENTS injections of the pooled sample. DDA full scan-ddMS2 method for AcquireX MS:MS_COMMENTS workflow used the following parameters: full scan resolution was set to 60000, MS:MS_COMMENTS fragmentation resolution to 30000, fragmentation intensity threshold to 5.0e3. MS:MS_COMMENTS Dynamic exclusion was enabled after 1 time and exclusion duration was 10s. Mass MS:MS_COMMENTS tolerance was set to 5ppm. Isolation window was set to 1.2 m/z. Normalized HCD MS:MS_COMMENTS collision energies were set to stepped mode with values at 30, 50, 150. MS:MS_COMMENTS Fragmentation scan range was set to auto, AGC target at standard and max IT at MS:MS_COMMENTS auto. Mild trapping was enabled. Metabolite identification was performed in the MS:MS_COMMENTS Compound Discoverer software (v 3.2, Thermo Fisher Scientific). Metabolite MS:MS_COMMENTS identities were confirmed using the following parameters: (1) precursor ion m/z MS:MS_COMMENTS was matched within 5 ppm of theoretical mass predicted by the chemical formula; MS:MS_COMMENTS (2) fragment ions were matched within 5 pm to an in-house spectral library of MS:MS_COMMENTS authentic compound standards analysed with the same ddMS2 method with a best MS:MS_COMMENTS match score of over 70; (3) the retention time of metabolites was within 5% of MS:MS_COMMENTS the retention time of a purified standard run with the same chromatographic MS:MS_COMMENTS method. Chromatogram review and peak area integration were performed using the MS:MS_COMMENTS Tracefinder software (v 5.0, Thermo Fisher Scientific) and the peak area for MS:MS_COMMENTS each detected metabolite was normalized against the total ion count (TIC) of MS:MS_COMMENTS that sample to correct any variations introduced from sample handling to MS:MS_COMMENTS instrument analysis. The normalized areas were used as variables for further MS:MS_COMMENTS statistical data analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples AP02_01 AP02_02 AP02_03 AP02_04 AP02_09 AP02_10 AP02_11 AP02_12 AP02_17 AP02_18 AP02_19 AP02_20 AP02_25 AP02_26 AP02_27 AP02_28 AP02_33 AP02_34 AP02_35 AP02_36 AP02_41 AP02_42 AP02_43 AP02_44 Factors Treatment:normoxia | Cellular fraction:whole cell Treatment:normoxia | Cellular fraction:whole cell Treatment:normoxia | Cellular fraction:whole cell Treatment:normoxia | Cellular fraction:whole cell Treatment:hypoxia | Cellular fraction:whole cell Treatment:hypoxia | Cellular fraction:whole cell Treatment:hypoxia | Cellular fraction:whole cell Treatment:hypoxia | Cellular fraction:whole cell Treatment:normoxia | Cellular fraction:mitochondrial Treatment:normoxia | Cellular fraction:mitochondrial Treatment:normoxia | Cellular fraction:mitochondrial Treatment:normoxia | Cellular fraction:mitochondrial Treatment:hypoxia | Cellular fraction:mitochondrial Treatment:hypoxia | Cellular fraction:mitochondrial Treatment:hypoxia | Cellular fraction:mitochondrial Treatment:hypoxia | Cellular fraction:mitochondrial Treatment:normoxia | Cellular fraction:cytosolic Treatment:normoxia | Cellular fraction:cytosolic Treatment:normoxia | Cellular fraction:cytosolic Treatment:normoxia | Cellular fraction:cytosolic Treatment:hypoxia | Cellular fraction:cytosolic Treatment:hypoxia | Cellular fraction:cytosolic Treatment:hypoxia | Cellular fraction:cytosolic Treatment:hypoxia | Cellular fraction:cytosolic 1-methyladenosine 74379151.36 73224399.72 66841737.51 48599293.32 32877102.07 34328456.74 40207473.21 37923049.82 65935640.51 66860190.41 48705563.09 61379428.27 25871218.57 26867889.65 31639589.87 37070888.78 9356392.091 8902055.653 7933453.104 7498081.353 4582218.449 4038780.897 4643264.391 4624608.142 1-methylnicotinamide 744408977.3 680988300.4 621262336.4 356226458.7 173209683.6 259410701.2 304053749.3 377639894.5 185142924.2 167849215 119956637.3 144196740 89943654.52 98310537.38 130058624 145742035 74562182.04 65506543.53 54279553.54 48840573.64 22653710.29 23407579.15 30906232.02 29096138.71 2/3-phosphoglycerate 25278621.42 21491191.78 17909760.43 13170139.96 20898688.39 22687647.12 26527712.99 23799522.85 68667562.66 61838092.19 39904255.34 78717764.57 94349518.46 103095428.5 216661724.8 137538154.1 12030243.45 7814496.402 5964800.591 6619052.36 6722908.935 6828399.784 5921957.7 5269200.525 2-oxoglutarate 22657073.76 23108848.74 38609074.5 20889525.89 11546828.22 11871061.98 11197029.9 11868148.61 28109107.35 28344652.93 32375764.85 28738376.9 16600633.76 17767823.13 19084108.31 24466793.34 2187690.652 1655592.092 3131991.692 1881915.939 1079070.522 1063299.859 1419194.129 1231512.702 4-hydroxybenzaldehyde 9221647.843 10993582.24 11074166.58 7130832.128 3205903.39 3983475.326 4518439.136 5655663.796 2727138.1 2371768.826 1784391.754 2024082.799 849098.3693 1005482.709 1201347.681 1747878.309 1062837.507 872656.3291 881226.7941 538705.1671 237575.8563 265700.9657 279042.062 218602.6915 4-hydroxyphenyllactate 66438124.68 61540219.62 60412131.62 36141037.42 6831367.124 9121851.671 10008262.36 13740494.91 21315081.4 18990541.07 16037119.22 16966564.53 3573561.214 4582035.637 6147840.923 7944158.652 10780960.41 9259241.66 8754188.135 7495459.895 1183351.158 1227746.307 1324403.668 1713664.444 4-hydroxyproline 44039176.64 38094321.7 44699981.35 30853849.5 9733328.143 11651726.77 11633452.64 15416771.11 12610027.68 10991955.57 10458487.24 10483720.87 2277981.37 2897879.572 3685058.265 3544937.698 9771672.808 8739669.232 8693771.689 7732975.05 2491508.337 2607370.136 3045486.521 2743828.706 4-imidazolone-5-propanoate 188267608.3 156537655.5 95639974.37 74223828.82 6260327.554 9356887.488 13513128.4 16814475.53 63296806.35 54005963.2 26941338.89 41186382.66 5494601.221 6845432.549 9437643.85 12294299.68 18859939.63 14549692.01 8259437.923 9985999.505 788857.8115 767433.6795 1115591.766 1113367.603 5-hydroxyindoleacetate 2551749.705 2427473.873 2218907.3 1270516.616 439162.9219 479757.1932 517197.9802 824523.7194 850494.1253 680285.8522 478330.5099 605185.3876 239063.2688 220683.0328 247936.8481 306379.5306 276094.8461 278153.5041 211899.1739 179961.9684 0 0 0 0 7-methylguanine 40749510.16 31543092.28 29159277.79 20080680.8 5271257.9 7692043.364 9518650.368 12517251.52 175296472.1 120079284.1 94256353.34 145455660.3 31149262.03 55331441.75 87285040.43 57027909.07 2737644.897 2435875.497 1111893.85 1580591.238 623318.5338 168824.403 234086.6866 226269.2281 acetyl-CoA 14487025.22 13070391.03 10912108.63 7148139.236 3846822.231 4715233.797 5229124.036 6369580.441 2699050.279 3060006.955 1797012.32 2422474.325 838972.4862 1409029.136 1529240.173 1550070.524 212215.3143 279349.0595 178974.3856 168419.5616 184263.9068 156014.3773 220779.9549 217820.034 aconitate 17594817.61 15863032.65 22145186.08 11182931.27 3877125.972 3545213.304 3331859.269 5183329.644 10513405.92 10450211.76 12623637.01 10158356.57 2009553.413 2779020.269 2798834.285 2949236.28 1716309.808 1374884.339 2062692.663 1346026.42 589102.3774 620335.5834 713837.666 647645.1153 adenosine 375270982.9 438352910.7 306739119.1 176614730.3 83702193 81807659.21 88368052.1 134856370.4 972132646.4 854521473.5 476733039.9 683972547.7 1200030411 1114723965 871595517.3 759219612.7 0 0 0 0 0 0 0 0 ADP 178792459.3 166485065.2 145886313.8 121488737.9 103433058.9 124332596.6 145268245.9 170382048.1 353858579.7 377931143.4 347529181.1 317146875.7 264935872.7 339969873.7 279721206.8 355672223.9 35862884.26 31592456.3 18775230.55 18933562.63 17963586.49 17198858.91 13806296.36 14819988.56 ADP-ribose 2437249.567 2894476.002 3436185.618 2687552.095 4118524.358 5638442.681 6974891.556 8150818.461 14621077.46 15365774.3 14101957.76 17481332.52 11249787.04 14907990.38 21448014.02 27303385.43 615948.949 508269.6045 481725.476 516623.2121 543542.9969 662628.9796 481009.5371 602898.143 alanine 329811240.4 323381446.6 449055814.2 277619818.9 253239838.6 272642997.2 274397307.5 331655061 129641512.2 119205666.5 118536712.1 122220647.6 83562616.33 95320734.32 118230294.4 130254733.4 84839585.11 78168966.71 98820095.32 75772806.44 64430765.82 70724916.14 74645488.3 71035028.72 allantoin 14210222.49 11895591.13 12274703.59 4993291.462 1951100.818 1870721.687 1840566.844 3473997.909 3450432.993 3224672.589 3055910.664 2601076.46 1746803.376 1578365.979 1551814.188 2246350.802 2328381.892 2089907.412 1884279.104 1572660.414 807125.4758 795641.148 650681.2711 719015.4508 AMP 67197594.26 77322857.82 75789785.39 64354315 82719297.26 82645933.9 111259739 121512402.5 749032730.1 748800724.4 440299986.3 602587313.5 417036458.2 496986949 771276935.2 720056850.7 10655962.83 8594528.946 8426950.994 8392046.213 13541325.88 14157261.87 13648434.99 10649839.12 anserine 4300802.055 4328807.384 4623188.413 2210396.504 575818.5418 988932.3266 940919.5233 1440151.092 540825.2049 437278.4996 382509.2984 437161.5813 129027.5771 230302.9864 180316.4366 443763.6175 0 0 0 0 0 0 0 0 arginine 4019613120 3837582283 3717227281 2483837930 1269950625 1399654225 1502636362 2083054367 2119525610 1905772624 1307948596 1761151553 906640097.6 934176419.6 1255510579 1266953282 914939662.5 802401642.4 694790552.1 608784948.8 226316139.2 239030815.4 281712993.1 239849768.9 argininosuccinate 2859685.018 2862526.431 4414276.824 2209147.71 1169285.846 1360453.911 1267516.444 1247804.205 788642.9016 788459.7095 1004807.345 994574.4671 407202.3683 352658.0319 520645.3627 739961.8251 477768.0216 498375.8979 633916.7107 493579.4667 142870.4435 144155.9212 67280.16764 86028.69147 asparagine 168150231.4 154032828.4 141182495.4 108851657.9 42479423.2 48784447.63 53118933.58 66604703.26 47012760.18 51495754.35 41338556.55 38625398.85 14599311.88 16119716.87 22857564.38 24555094.25 32622319.86 28711309.31 24106786.07 23533982.16 7968308.694 7669875.836 8847338.684 8241034.464 aspartate 229201274.2 227745079.7 224368406.3 183563537.1 151997873.1 177338262.9 196132198.5 216491643.9 169878054.4 159791778.1 164911386.2 166379843 149579235.8 170561424.5 184439792.5 179173615.9 72649819.78 62706733.55 55355877.03 49026412.9 20118025.11 21755888.03 22940896.94 23894280.7 ATP 902978209.4 878788035.5 703189406.6 524412867.2 228717296 367697577.4 427737936.3 463662964.5 215788622.4 217950634.8 121342907.5 257365066.2 27073184.41 55870877.97 179377875.8 138495490.6 81666733.76 91565289.08 50437725.11 55146696.66 37062714.9 40110732.78 40016679.73 35040666.88 beta-alanine 109774276.8 101234010.6 101599389.1 62914586.13 23902967.77 33664230.34 37448975.06 53815888.25 21838162.95 20393460.12 15405982.49 16968558.03 7259136.106 8616240.071 11616942.78 13086681.56 17209337.34 14166318.95 13215081.81 11746124.11 5142194.374 5558447.649 7767099.535 6683981.731 betaine 1924658303 1715554154 1471671880 899493017.7 194362676.6 241999142.4 287770430.9 383556193.7 708948007.3 633606290.3 420554482 520511808.7 189607857.4 206611951.9 264398593.7 318728423.2 186702519.5 152691987.9 125228346.5 110485907.9 23278310.07 24862963.7 31262424.12 27523814.94 carnitine 589425060.1 534804278.1 490822112.6 304212719.5 138432798.7 222364003.9 252330178.2 353026701.2 147758779.9 129858562.9 106899667.1 115882547 41246496.17 51605081.65 71000583.73 94208212.76 52903737.85 46414089.56 38541466.35 37252849.35 13436548.27 15026074.45 17669519.32 18866267.44 carnitine C16 10603962.13 10834864.27 9561179.037 6781539.293 2709293.849 3058372.805 2699061.938 4422070.916 26482618.51 28558336.75 28131204.96 28917043.93 11109288.33 13611341.35 11673386.13 15030192.98 0 0 0 0 0 0 0 0 carnitine C18 6228636.713 6024431.918 5674938.477 3484542.38 1693865.656 1012568.671 1423210.222 1980987.334 15027481.97 15515240.66 17575426.12 15063503.39 8234998.288 9426128.932 5617924.153 9141319.606 0 0 0 0 0 0 0 0 carnitine C2 923524134 857562359.1 709589410.2 436893246.7 105830609.4 137118434 146494963.1 172113673.5 213424333.2 189156785.5 126641791.1 175679743.7 35951298.43 39092181.63 57062773.5 64174392.73 96994280.11 90091253.99 66337025.16 66190471.8 16858080.28 15377311.08 17744647.22 17280969 carnitine C3 97211472.64 73242038.58 72531041.05 35603937.14 15921199.51 19480044.21 18175854.48 22948758.25 19706539.49 16024461.61 12383968.22 13829581.26 2364684.087 2663599.428 3977869.868 5368108.283 12536830.69 9165462.885 7612171.956 6310779.248 1793057.178 1703584.168 1811361.994 2493038.07 carnitine C3-DC 1606264.077 1550880.283 1271576.776 760654.4655 550014.6947 709951.6808 714838.6063 860155.5412 835925.4341 946608.953 689272.7248 647731.4739 568856.2732 641203.2722 614119.1183 965804.3554 199015.4557 190122.398 144790.0888 95033.21895 98967.17349 89314.59977 116342.3616 192248.0516 carnitine C4 34869313.29 31030925.38 36985141.07 20315020.91 18885363.04 25185369.94 31067521.63 35104627.27 2191595.877 1998135.475 2246282.909 3042569.407 1579657.285 1557419.343 3119317.104 4055528.886 2725064.5 2411932.566 2448777.269 1748883.518 1702185.858 1712322.597 2018914.37 2067169.247 carnitine C4-OH 11283469.11 9852693.72 5950949.888 3926105.508 501253.1767 718449.3893 885300.573 1020620.472 2310226.572 1832982.385 861539.6378 1492805.521 97499.206 70953.92861 182542.3795 266877.0053 1284550.006 1103316.33 591837.1967 613190.0291 62281.57933 44292.32816 27946.27941 80515.68528 carnitine C5-OH 122267471.1 112519102.2 126804552 67682764.48 81127295.03 109634214.1 116788347 131929250.7 32629648.16 30157231.83 30324976.26 34396159.08 25087056.2 29881203.75 45986253.73 57056989.05 12750310.28 12077771.91 11253451.3 9911918.252 10183758.92 9357138.923 9838305.108 10392058.05 carnosine 40945451.8 40356151.18 44709532.76 31353484.54 10876025.36 11028005.36 12433479.8 12711450.12 8646490.68 8309286.807 7390414.024 7288974.974 3494062.288 3569420.315 4428683.405 4245333.591 7357470.517 6390620.554 6142965.725 4289030.372 833601.9193 887756.0397 1063814.036 1094698.171 CDP-ethanolamine 4917905.332 4504891.66 4920800.959 2686110.518 1657391.177 2895948.983 2770953.498 3743855.932 835810.6587 613288.7922 595914.7444 630521.6631 416616.0257 582952.4204 634286.7888 882571.801 316360.9393 241179.3796 297677.397 252565.5593 0 0 0 0 choline 87528978.01 85513440.27 78596078.72 46961084.43 63544949.64 75073958.01 73310036.41 121760964.6 145901893.3 131369596.5 86404622.59 158915387.9 203553018.1 207284425.7 310135406.2 332719855.7 9097807.91 8719192.52 7473515.759 6643952.173 12497849.12 10905448.03 11428133.67 11960310.59 cinnamate 9641532.242 8511805.278 8466734.184 4857336.549 1971424.85 2407168.748 2694964.414 3724694.878 5266334.957 4778204.579 3642798.016 4305413.981 1258391.247 1639076.672 2509327.52 2826893.896 2226725.792 1921599.478 1706526.802 1597188.29 632982.5617 566483.9663 655783.1452 409686.9353 citicoline 23579572.81 23812080.79 21662941.17 14140694.07 9890092.593 13153963.37 16235800.45 22198066.11 3953317.335 3734917.508 3359780.359 4166709.943 2257920.148 2310832.323 3878987.518 4646155.639 2917631.722 2748215.581 2301866.631 2302656.656 1080193.531 950154.0869 1258393.563 1326422.787 citrate 606475321.4 580060568.7 702082624.6 314665214.6 75623785.02 125268411.8 94983373.94 125065741 553884422.3 596525335.3 628344559.6 649067963.1 78651256.04 85759399.32 130320235.6 154802913.9 67727408.73 57943242.81 56563816.3 61159461.49 34054224.41 35353268.29 26729776.41 21537072.13 citrulline 185793095.9 172098284.3 174636894.9 109149307.3 38204322.63 45940559.99 52027417.19 58111670.45 64485462.99 58608420.83 47666120.13 53767883.02 19132057.51 22378196.53 29519573.2 27567234.36 12718250.39 10282427.9 8591820.494 7559104.138 2127873.789 1881497.739 2796666.207 2343332.499 CMP 20525134.69 23332728.69 21032619.45 13279127.49 10975340.74 13148355.27 15962811.67 20359373 11799485.52 11991168.97 10234367.27 12333603.2 9599239.803 10625369.66 12956827.11 15686564.77 2334173.461 2443100.426 2196308.685 1739061.143 1415215.547 1161396.364 1182059.195 1194839.051 CMP-N-Acetylneuraminate 61458219.16 66807053.41 64847135.42 45668776.75 41533842.73 44868875.4 48848897.21 60892151.98 32725421.78 34381727.78 28573324.86 36479168.58 25447499.6 27046953.41 34295931.93 38292294.21 12424440.41 13018010.46 10519105.85 9160363.159 5300758.963 4137184.99 5627073.898 6434479.834 creatine 19048272103 17919009862 15697022189 11656626830 7129057351 9620065547 10636867953 12278068664 9466389988 9014809961 6078079333 7560471376 5062999687 5728145324 6578302234 7555819519 4001514632 3563907985 2622107597 2526365927 1034094378 1195243245 1474607951 1442124744 creatinine 933062339.3 888586369.7 940017603.7 526124426.6 157318754.6 161743369.3 177746158 235182229.4 121991675.3 101858247.8 90267515.2 94956173.8 20475999.35 22907563.8 32732100.24 38080610.06 115977616.9 93230850.79 104201350.4 81310774.84 29845663.9 36592217.2 45095185.51 56223182.04 cyclic AMP 6257073.019 5516982.992 4275827.01 3045373.482 2438346.221 3383434.925 3837409.078 5761320.854 3838265.809 4088089.81 3460786.489 4302797.074 1466208.67 1856558.073 2658282.318 3072498.828 196956.3833 238312.8288 187612.8261 147904.6104 155044.7617 138659.1663 146311.4937 33970.1045 cysteinylglycine 24312590.38 22858486.59 16000883.85 12049287.39 4364096.95 6466810.71 6939810.003 8084929.195 14515690.56 15446683.57 9950103.883 12615145.58 7111816.332 8283198.543 9320623.866 10897982.84 3013486.041 2420054.682 1458823.623 1606238.103 317712.6537 246273.075 371205.9466 291301.5024 cytidine 109126667.9 108128697.8 110492307 61851821.54 30991050.53 30897780.81 41964082.12 42563799.62 23911172.84 20231830.75 19490547.16 23977794.3 12382618.24 12484734.69 17877351.94 19308583.53 8931586.565 9033134.658 10276966.27 8385573.857 4811847.469 3884127.92 5359317.719 3993529.439 deoxycarnitine 50270863.81 46181063.68 40449002.14 24921680.42 10818865.67 16860439.28 19951358.97 26263201.79 9271456.526 8545060.523 6013444.094 7554190.148 3142815.009 3807796.319 5274645.469 5984009.718 3960923.484 3645238.949 2862254.683 2499238.407 980157.1643 1136947.343 1425398.209 1483871.819 deoxycytidine 23978794.33 21810447.76 20656354.85 12398369.81 6923203.704 9233848.992 10606546.68 13229348.21 6955727.015 5856048.967 4562511.473 5786760.224 3451758.262 3333213.986 4175467.245 5323884.5 2640296.611 2126403.542 1832608.343 1706835.053 712938.1214 750387.6029 973879.1277 886270.6317 deoxyuridine 4027047.337 4771566.401 5411821.8 3011876.563 605390.8016 428729.8145 431763.9076 646909.2678 420518.8579 424998.8385 341414.1143 355496.9784 29526.76222 35918.48784 39545.15566 67999.18764 360787.7264 351531.6546 458148.2343 325371.0724 76145.74169 70917.03934 72714.86471 93853.9631 dihydroxyacetone phosphate 4837754.081 5743494.302 4292114.113 3392990.348 4968706.552 5341908.658 5151841.729 4033473.862 2426027.322 2259814.648 1757822.257 1646216.587 1093296.751 1330670.677 1886353.916 1742181.085 1345203.405 1319768.364 734175.3416 776569.2403 425914.7607 266708.2093 395113.306 416686.9301 dipalmitoylphosphatidylcholine 804500401.5 517216352.7 638152387.9 679035304.1 1039352970 1418559220 1360708891 1062336853 0 0 0 0 0 0 0 0 39781732.18 38979988.71 47240957 44168121 82321052.25 56004830.71 66562902.86 75962859.86 dissaccharide 6963909.651 74996759.08 4089213.658 3420967.514 3074535.124 638609.5564 1080117.251 519762.2103 20630664.09 19257917.7 34701885.73 22239014.88 30014095.28 28487851.48 38001403.1 29427469.49 33942829.03 26805298.84 36372545.53 30103125.27 54728780.67 54401102.85 50469319.21 45350779.22 dTMP 187808.3288 217812.497 173174.0602 129684.4027 150523.2665 224701.1382 245320.5064 371272.393 1078580.649 1079872.41 820869.8382 1128456.632 1335810.939 1512846.156 2109034.255 1962438.265 0 0 0 0 0 0 0 0 epsilon-(gamma-glutamyl)lysine 7795595.799 8239534.007 7770514.638 5340366.224 6479951.034 6899618.728 7816966.046 6651101.177 1763406.978 1862445.301 1796322.508 2248330.552 1296239.68 1332817.023 1839192.216 2174466.01 752242.8002 765650.9463 622573.1252 604490.8946 792271.4183 522679.631 557690.2221 578646.1434 erythritol 11091264.43 10003102.07 11808414.59 5729932.176 1604709.033 1554224.793 1412804.893 2132007.595 2238533.117 1872861.342 1360025.263 1651595.842 0 0 0 0 1259838.806 1048922.613 847102.0996 734320.6037 283612.1464 391886.5437 312225.607 0 FAD 18426749.32 18767104.32 15639581.6 11456414.37 11912608.51 13138269.09 16920144.95 14364539.71 63131769.52 63933689.27 49244604.74 53193513.57 48766566.04 57681405.84 53008588.05 67122964.33 830954.4771 871029.2208 606076.3535 550795.9872 528229.6683 459689.8479 384712.867 352096.115 fumarate 20439523.52 20830438.41 26834537.16 15284349.01 9602827.521 11583521.43 12381053.9 11504230.41 12942101.11 14370733.98 19867542.38 12962423.29 2949272.605 4588702.692 4744014.974 7647359.469 1240448.149 1388147.904 1485094.711 1154276.196 836365.4109 407126.8789 711505.8559 578645.9701 gamma-glutamylalanine 8901677.471 7613386.954 7577511.593 5586513.024 5519882.124 5472224.34 5805294.218 6172973.871 5413105.725 4743750.634 4017731.759 5125549.492 17280806.39 19933471.58 39607354.16 30478899.36 803151.3399 749732.432 560778.6008 460011.0315 397743.0978 281429.4996 421224.1141 354351.0159 gamma-glutamylcysteine 63515274.34 60769728.39 38319623.09 36525069.36 19828867.96 19903155.86 24141745.3 22537032.59 69301045.36 68804520.48 35487279.71 53299003.35 20648811.19 23293670.81 31028638.64 36348053.06 10351521.39 10134558.3 5589924.749 7288871.287 3470285.311 2728368.858 3415214.3 2431800.606 gamma-glutamylglutamate 11682212.74 10548775.64 9887527.592 5744661.689 2577449.566 2421137.868 2826446.096 3181213.216 5844190.251 5663195.306 3177294.829 4666346.65 2436015.297 3382041.511 5355857.113 5780078.611 794010.87 715467.7576 581923.5856 514754.4927 162642.7935 118822.7804 209417.0631 95197.72352 gamma-glutamylglycine 63740087.45 58979523.38 42972691.82 28042194.99 12987367.9 17384143.37 19060912.87 24850241.55 33376642.02 30641675.73 15741239.14 23843250.65 12935666.15 15954392.82 20638252.78 23958803.16 4107348.483 4014882.757 2290855.718 2388689.904 792261.6502 726028.6688 776954.6674 836347.4419 GDP 29369644.27 27214380.93 23284602.73 18797304.81 11188956.04 16985840.86 19193536.37 19758183.4 14089736.87 14320126.94 10015801.9 13522855.49 6569254.053 10219214.76 16696280.46 18396979.15 4985333.016 5105486.072 3152442.343 3136816.09 3144254.836 3260766.573 2766332.201 2361881.531 GDP-fucose 11401182.09 11454691.33 7098559.909 6149894.623 9539997.69 12117444.61 14902134.6 14959895.49 6279530.94 6427173.897 4288449.722 6353011.962 6238286.125 8295807.873 12763214.63 16338914.76 1521347.57 1337129.072 792946.4797 904907.5816 1251327.346 1035810.993 1243057.401 1150102.676 gluconate 628427908.6 547457025.5 478300174.3 303772903.7 136823470.5 205554504.6 227591055 275388370.3 133462683.4 109584986.7 67436522.41 96518155.96 48113726.7 55191230.17 80878207.18 84714484.42 65438614.52 56896292.96 44487199.26 39912762.59 15243607.34 18284765.92 15351272.79 15419446.74 glucosamine 6-phosphate 10270165.86 9706273.409 10136912.48 8480899.531 6580219.344 7069280.01 7762697.002 8041053.718 6737838.35 5884712.677 6016646.446 7355104.909 7182850.911 6802516.941 8732626.535 8555361.07 3350929.479 3217479.885 2731488.329 2699354.814 1334438.657 1007427.676 1501114.118 1380353.27 glutamate 1950864183 1771856815 2038867474 1351462351 859536113.8 1170849949 1251529979 1444650190 685040820.4 602148968 598483408 629815572.2 254376055.6 310253648.7 441797092.6 432915163.5 334015598.4 291826791.3 289577554.5 240563052.7 105627841.9 118490706.2 138007330 120615602.9 glutamine 494381232.2 516103867.1 862725028.2 506280681.8 825419131.7 837631292.5 913821964.4 921069903.8 160538076.2 145516316.4 208374484.4 220626750.1 227088102.1 243383281.4 348920693.2 280274208 96382115.03 91474647.99 131578815.2 97990677.77 155647327 147268368.7 164263616.1 124942982.9 glutathione reduced 4845848978 4451362104 3184142280 2419090028 963352204.3 1389811615 1482477486 1744967249 2931999661 2982878543 1989649202 2491342920 1496938112 1668315014 1860509737 2180307473 613920261.2 541724773.4 325590147.7 351359924.1 85402597.79 87950929.75 95104409.3 94091867.5 glyceraldehyde 3-phosphate 3049946.032 2246367.698 1496529.628 1081499.563 1098862.268 1207780.895 914796.304 998190.4792 4230567.916 2986932.875 1866235.513 1950775.341 1439383.684 1086304.316 755258.2525 1290394.669 0 0 0 0 0 0 0 0 glycerol 2-phosphate 186978803.4 169754677.4 141082572.3 102765573.7 94836813.13 120097371.7 138876873.1 140748537.5 85592454.86 83400584.37 62399191.63 78295970.04 111595667.3 112351183.8 127207215.6 142125788.5 31770344.54 28818821.24 21798532.62 22558697.74 15540903.41 14942812.21 15321830.99 14427110.28 glycerol 3-phosphate 31130914.05 33275461.92 22094168.21 17381309.83 8515628.977 9320804.889 11575484.21 15268447.47 26149847.92 27324411.47 15444805.89 19522871.27 7501028.843 7832263.143 9391439.322 9471431.08 2888851.776 2703792.289 1667721.307 1701039.734 720039.9194 577359.1843 582330.2929 681337.3117 glycerophosphocholine 14528786680 13407994160 11473261756 7984226118 7557726826 9798981751 11124344240 11672333919 7828529684 7555343836 5268135327 7161278954 9588708482 9823597886 12387116385 13211691005 2145613394 1831325994 1343952573 1365635878 851036950.2 771920685.2 779137835.1 716040934.9 glycine 36838138.46 32079451.33 32291317.63 19311726.45 10298461.43 10052623.1 11027014.5 12454205 7329377.117 5477354.417 3995938.404 4898836.035 2520542.991 2704290.575 4228653.289 3913409.36 5051094.005 4268867.387 3632605.342 3341411.99 1768367.25 2127079.039 2070651.24 1742813.412 GMP 7999056.031 8766815.306 8506540.292 7369489.498 6633879.185 7771327.961 10264929.15 11289715.97 13004063.85 13021812.29 10571251.61 11190870.17 14964755.83 14964748.52 16468647.62 20301990.1 602147.8735 569391.0347 622061.8708 507599.9463 572392.2261 606709.442 667574.1577 506560.081 guanidinoacetate 2525801.645 2502596.13 2732762.826 1661626.877 1002378.122 409258.869 483508.3576 316885.451 660281.4631 615085.5085 376515.5155 329965.5554 466524.4661 535944.684 538616.1762 584251.0292 621294.7113 311528.6277 340627.5544 291611.2476 35152.43757 126098.2521 98064.73835 113908.4478 guanine 3028754.589 2576782.079 2605135.835 1492496.613 1102620.579 1388017.373 1521186.944 2213585.158 2807219.207 2654910.368 2292129.405 3019155.034 2767472.934 3001792.33 4113113.86 5109175.42 1230919.011 1090916.322 1132223.027 1225964.405 617059.0765 523118.9617 804347.6262 634761.4851 guanosine 17855915.02 17266545.95 14348397.25 10727841.02 11202510.37 10211284.14 11253970.09 10684288.59 8182668.188 7362018.469 6523685.764 7591332.685 19242063.32 16993136.25 15338316.98 18135497.45 66630.93319 116140.229 85632.60254 78260.04962 203755.0692 206796.487 219677.9187 166844.8482 hexitol 124930285.9 118998307.9 139217940.9 109757432.8 44429485.83 36244746.39 35011617.94 42532177.68 5832394.293 6085851.945 7729031.83 4516319.555 4096998.378 4077401.949 1844690.423 5551304.811 9520757.676 7835477.043 7522247.821 6108614.434 3962671.511 3122399.039 1945253.299 3353364.458 hexose phosphate 26724719.5 21410490.76 18631154.05 10035707.01 15379446.97 21678017.33 15309653.33 15266601.79 18233347.59 17663391.52 16077707.25 17655394.91 24502633.97 23828882.31 26360875.64 30301515.93 1834392.471 1444058.218 1414315.348 1202624.819 2064490.647 1758863.023 707379.3808 705854.2569 histidine 1410661735 1359330117 1461233316 1079159522 405723172.2 438916251.6 462558953 585834424.7 496245952.9 467970890.6 427597037.6 431968414.2 199900633.5 207172247.4 231373459 262088973.7 340532416.4 293028659.2 273961739.1 231399186.8 75112554.28 76613501.33 69914332.27 58216358.73 homoarginine 32562345.51 31037316.73 28444059.61 16578046.25 6411448.712 7021372.561 7606604.493 12400349.81 16908587.84 14894513.59 9640462.679 12955930.53 6254862.728 6645608.237 8963009.441 9619933.404 4066201.715 3471904.849 2887160.094 2488446.04 702570.8268 775188.5499 909609.5925 756733.9814 homocitrulline 9925049.966 9284541.838 9001447.701 6024277.68 1955587.334 2609756.979 2858766.769 3598661.979 4184055.76 3695633.173 2995947.912 3660876.192 2031057.079 2147504.39 2686487.956 3092613.535 1015788.964 768699.6001 746737.3067 636602.22 0 0 0 0 hypotaurine 7199990.466 6052504.399 6992552.557 4233663.432 3337983.135 5821420.223 5703731.15 8608484.732 1085368.323 808655.4671 937088.933 767859.0014 449805.4003 604969.764 644887.678 734342.4835 1475020.365 1361890.257 1336318.898 1177704.398 797155.7215 1064239.01 1316884.86 1192226.295 hypoxanthine 42130836.81 58303414.68 47920270.42 42576477.57 15724466.84 14129946.23 14215365.58 23650824.16 56547507.37 55931240.28 40627304.63 55660207.35 43060041.01 37730675.91 48613974.27 47070736.45 20655207.33 21292257.89 16451052.05 18578028.53 4206149.79 2832027.328 2595059.684 1658780.918 IMP 3654347.944 3501134.291 3809038.709 2853475.659 1003997.643 1178861.916 1243427.724 1658196.693 1054604.237 1106745.826 1176419.039 1184821.983 595975.4575 439465.1022 443710.6339 399751.0125 384760.0806 360558.0705 425465.526 361776.024 87963.74047 46579.35609 75954.62173 57451.93909 Indole-3-acrylate 306226222.6 286267772.4 280398147.7 161869222.2 73478062.91 89793705.65 106115798.3 132401482.5 91781861.79 79159646.32 60122921.91 73097808.63 30717877.99 35910365 50000427.11 58831798 37032847.94 32816701.6 29395460.31 25996340.88 11617890.33 11049167.88 12943088.6 10477930.08 Indole-3-aldehyde 2339240.492 2307418.384 2351066.755 1261435.703 568926.7391 706267.374 857014.0729 1031275.728 674620.6384 628333.1534 343400.0127 510915.8901 195390.5996 199897.3562 326696.9581 362903.4205 217071.2496 209556.9171 151205.8494 161399.8791 40984.69301 28522.38592 67613.12231 172423.3894 inosine 49310906.76 63800060.6 52426095.36 40016215.99 19535056 17247788.2 19947010.61 25170932.6 51992194.46 57691687.44 38228292.39 44458739.33 126095873.8 103156291.6 109242088.9 113710019 1172734.816 1662379.928 2093209.456 1904414.088 1431699.729 1268610.149 1490791.075 903118.6957 isoleucine 650122637.3 608913010 647976898.2 357096737.3 209847572.7 248249229.3 280258338.1 350893889 177657000.2 157897529.2 126389488.7 145133351.2 76800367.39 93902326.06 139219873.1 162647507.5 91115829.92 78583243.04 79640199.21 65525629.78 39434028.52 36738579.24 41995023.77 34467913.56 kynurenine 9857734.524 8810575.836 8805257.255 4621384.896 1452081.419 1794418.174 1975302.516 3162493.221 3247021.391 2722343.24 2033193.047 2366732.817 745547.9744 960911.7078 1040440.053 1500401.619 1154591.241 927699.9225 915288.4649 833568.7168 348061.9996 225021.2028 360033.2189 266985.3123 lactate 2317787153 2052203616 2810108792 1464370220 257307784.1 174713594 190403400.1 309065558.5 404390364.7 320235793.3 246834057.2 239183745.9 60392721.62 67837746.84 99725022.67 126814716.9 245976658.7 198354628.2 216491907.1 155198666.6 43240866.82 46178787.42 47141347.58 52128765.97 leucine 697772644.2 650817073.8 692522441.1 360820239.2 257028194.4 304936210.5 347164506.4 422823384.5 252024081.6 206279522.7 168144760.6 215354486.6 157407115.3 182656889.9 287510599.7 332714422.8 97162324.63 87089502.84 84269745.57 69338154.37 50281654.22 45978820.57 54883183.02 41929368.84 lysine 291237328.9 269142174.8 253946090.2 136287539.9 61222780.12 69858293 79234075.46 122719552.1 74776425.68 64426851.53 39992779.28 60105241.45 25205837.61 26434134.22 38195490.28 40018085.85 21706534.92 18679674.95 15208019.65 12494348.51 5806950.424 5626496.108 7347876.933 6795275.693 malate 418379701.6 452195347.3 560738221.4 338170454.8 211629299.4 239292769 234991750.6 246043132.1 230064517.7 257729650 369569358.2 235757151.6 68748201.81 84962687.31 89398051.43 139773222.4 36989102.4 36455710.04 36374191.38 29460850.66 22362443.3 20471676.16 18116124.51 20097893.69 methionine 32846862.53 30611109.24 30978140.09 17692310.37 12093551.9 14481585.65 16640458.84 18582537.9 4785062.909 3876483.219 3138151.092 4079577.306 1727800.154 1953758.414 3324189.986 3380831.634 3323882.764 2893245.749 2716034.395 2257884.87 1545280.023 1598207.012 1884150.714 1789724.548 methionine sulfone 8159942.968 7371025.857 7504669.492 4512659.735 1715479.643 2103105.522 2298382.618 3355240.631 1954792.541 1518937.422 1353811.539 1535536.316 444150.7244 526915.463 711212.756 857043.3041 1100068.812 1101931.534 804510.8191 868023.8444 332873.1977 540376.9278 923764.477 661325.4525 methionine sulfoxide 47142017.49 52898432.19 50981867.44 30905978.79 10480621.82 12075512.02 14761790.23 20378122.42 2415596.921 2263361.467 1952600.277 1888491.934 637573.028 707086.9119 736947.2412 1190272.779 1511521.79 1248223.337 1121616.3 1030692.171 411436.2573 432900.4882 536267.9182 442954.6562 methylhistidine 396421946.1 373052577.9 379731157.1 220598848.6 58558993.17 72681668.44 82689381.99 107329622 73451423.58 69013367.75 50951490.88 57379259.13 24086070.81 25861620.19 31874513.12 43538326.16 27946478.3 22507946.12 21674024.4 18808364.04 4772964.78 5190886.552 22240695.24 25785980.82 N2-gamma-glutamylglutamine 14320093.6 13215319.66 13453250.43 9117234.438 8369183.948 8826869.704 9292967.274 9185223.263 6764560.715 5869242.403 5134277.494 6791361.284 7037856.565 7567385.393 10528130.19 10755111.66 1656795.852 1580958.973 1034724.671 1129057.956 602660.0531 470758.5578 590312.296 491771.2924 N3,N4-dimethylarginine 179488184.6 169543248 161811589.9 95974524.51 35561705.14 42995175.1 47911572.73 66915706.11 55725176.55 51724346.57 38790290.54 50603742.7 23194358.04 26974865.98 34803046.28 43133629.23 14974186.98 12633460.51 10823790 9952029.892 3309660.325 3274632.034 4268493.709 4179385.27 N6,N6,N6-trimethyllysine 177282007.1 170404417.5 152497246.3 93528542.47 43474782.63 63559497.62 73922656 94528486.1 31408161.02 27712558.53 18650463.57 26221558.69 9907097.977 12320638.11 21111991.92 24707770.9 13742052.35 11964706.61 9498960.769 8819307.065 3909769.898 3975614.429 5573285.634 5034235.104 N6-methyllysine 35109904.56 29621171.87 28998123.03 16104944.97 6161739.654 9303394.036 9664785.529 19280117.03 5760183.581 4818127.731 3125852.849 4710054.297 1619245.719 1901495.185 2666538.061 2941019.55 1392225.978 1208417.716 870891.2815 772101.2757 180627.7447 227903.3417 572922.1654 489423.4907 N-acetylaspartate 25184946.47 25453736.51 23658342.79 16806714.45 18869344.38 20169034.66 23496739.96 30946322.72 5471542.872 4680937.577 3939771.167 5608454.55 4603175.669 4946677.619 7287127.135 6823689.786 2083025.805 1764001.259 1361436.244 1440749.624 1021118.636 921968.4551 1311790.968 1379912.032 N-acetylglutamine 6847957.114 6090912.061 8654723.084 4061975.052 5225352.587 6703599.601 7942262.079 9129269.223 2498503.294 2059925.097 8007683.287 2513558.156 3072216.93 3783170.928 5115396.195 5652162.565 816168.5364 675308.0524 849931.8668 616183.2332 477779.8103 646482.4161 423259.0178 425350.7597 N-acetylhistidine 142441629.6 138706286.5 158992642.3 80640368.44 15673341.48 12945786.01 12912460.82 20305076.2 12391657.94 9872615.946 8182150.191 9075571.85 1963951.531 1958184.115 2822428.483 3441143.829 10033351.58 8706095.525 8855398.047 6764524.454 1581156.016 2145439.173 1926083.498 2159075.25 N-acetylmethionine 5314147.467 4968444.171 4279387.882 2999344.211 1905151.061 1767081.905 1833759.534 2032290.639 690442.146 752342.1353 364279.171 817408.6344 113618.0391 104556.5579 290850.9172 358580.9143 605846.8146 553411.9499 512945.7406 507188.1275 326095.049 273102.1011 231350.1483 274205.5268 N-acetylneuraminate 33978360.48 34936446.44 42124144.06 18841901.37 22950756.5 32534455.6 34649490.1 56999191.36 77892702.35 60670723.89 29332093.94 71241400.83 26944629.2 35054732.86 105469337.3 68230964.21 3118784.396 3365134.221 3951946.96 2624399.593 2904560.741 2819638.402 3189242.567 4031582.146 N-acetylserine 63676393.27 55915172.02 56376540.53 30240889.59 10419543.63 14702877.6 17670694.82 18880918.81 10602204.53 8982769.516 7208648.248 8639760.461 3923704.011 4193329.578 5306194.936 6113248.933 5731120.284 4695888.256 4511651.06 4032684.218 1322302.073 1435754.632 1595637.907 1662938.018 NAD 227960599.4 212419221.5 205483110.6 147701035.3 214349379.9 256539521.8 268022038.1 326179081.4 359325755.8 372943320.4 294337248.3 332239667.8 427944483.6 444701921.6 466170967.6 549401769.5 29862406.35 26342852.81 24499867.65 23915282.75 22334417.67 23058816.35 23061274.46 23513391.13 NADH 20818559.07 18483547.21 14609739.84 8162787.636 1299585.17 2102190.88 2466885.435 6451510.159 7914031.487 9862295.715 6298103.185 7336463.815 0 0 0 0 1586974.787 1530644.212 398115.0392 652434.6092 607555.1138 160955.6505 183964.478 238616.9361 NADP 26781122.9 20642142.26 15529343.51 11965959.84 13746825.08 14156870.3 16433901.49 16488414.36 70281884.54 72991397.26 43968493.83 59390465.83 59471994.37 69826247.16 81150498.07 88678239.1 3672943.566 3035701.898 2335922.187 2660795.734 1608655.814 1681104.525 1418408.645 1821102.971 NADPH 12774221.88 18402953.58 14134518.57 11129509.82 3951601.359 6318378.026 7281721.61 9902089.687 12270280.04 17013862.77 16229855.23 14103582.63 1480593.002 3074386.499 4075709.83 5603875.277 873989.367 643178.2525 64028.31417 34096.5853 0 0 0 0 N-formylmethionine 24404281.87 24595114.64 22808084.85 13742748.95 4012731.286 4740817.324 5139731.531 7926528.241 5847353.477 6193305.473 4521315.53 5472779.513 1291236.428 1451207.243 2230429.58 2387083.313 2577517.788 2556223.251 2047036.205 1788239.304 688588.5611 658301.8505 622190.2712 826972.9904 nicotinamide mononucleotide 4563462.263 4329982.803 3993992.681 2492567.439 2220432.271 2863796.845 3394419.909 3336808.692 7028554.915 7334952.2 5869294.818 6659428.465 6405884.232 7981350.645 7699040.001 8300190.999 141936.7933 182877.5376 70601.22145 57400.40152 79062.21867 62366.88843 38626.50004 99658.12516 nicotinamide riboside 61885798.03 60825566.1 43212205.07 33994197.24 31022160.52 35501651.33 45003601.8 48074627.41 31764584.1 29972408.77 17832829.62 26922029.58 17267265.79 18056819.59 24903892.59 25255301.82 6325091.391 6084867.61 4176446.311 5020478.031 4410292.23 3917239.586 5317016.544 4928576.393 ophthalmate 8298994.995 7946085.638 6077737.498 3979784.624 2087511.886 2486971.115 2561606.217 2915436.612 2303461.46 2226680.096 1602293.737 1978116.948 639314.4253 921897.5766 1153354.593 1095633.282 613299.1485 639940.7448 384108.8136 385383.2817 91927.57565 70099.64554 78262.59452 124923.7871 ornithine 322998093.6 286972587.8 262810433.3 157859553.6 49489219.09 79300264.79 95509869.97 149540287.6 83717057.83 63270609.59 38680860.62 48395191.17 7636171.156 10590209.84 20689219.2 21741901.68 32673302.29 27800487.2 20345918.1 17515430.46 4228288.798 5778663.926 10775476.54 9385554.419 orotate 4241436.889 4336545.117 5479739.068 2786219.999 1287303.192 1285519.646 1593484.831 2121249.248 1023261.527 887195.1632 966481.399 1210100.773 430688.2193 506152.5912 767332.1831 826756.1985 420483.5833 367554.0211 426692.3435 310637.4393 0 0 0 0 oxidized glutathione 40486058.95 31272309.89 25641594.18 15119900.61 2362738.602 3474295.163 3795840.457 7396634.25 15146920.46 8387832.31 5086385.099 9109138.356 3481768.227 4749985.789 9356731.402 5962616.607 1890960.128 1737976.036 1598363.279 1551686.068 172689.7692 224910.6924 300076.2122 282138.1189 palmitoyl sphingomyelin 1442442002 1089450489 1181620828 1211419368 1164257678 1388842534 1341135657 1155714547 341354563.4 559966320.2 789997067.8 344697645 648844535.5 629392940.2 127775278.4 589974889.6 84670833.67 81937435.95 96893316.87 87952667.37 91245168.68 63965493.18 70400630.13 81450825.64 pantothenate 1167990049 1046937068 969661808.5 588523731.6 254178769.4 379530351.6 458805105.6 497856067.6 242460622.3 221882579.9 164074917.3 223572938.1 57688791.71 71005441.9 111900532.8 128436838.9 173038547.3 149004634.2 119219820.1 115306594.4 38117424.54 42446513.65 45567265.27 49308050.4 pentitol 7718959.103 7411598.567 7511988.049 4245445.873 1594031.338 1991226.84 2094748.589 2122526.528 1683060.102 1715044.658 1455288.837 1598780.205 782636.0747 922829.0688 1154101.971 1103757.529 653421.05 684345.4572 825644.5421 763039.8607 342460.0674 436483.3857 309828.2205 345182.51 pentose phosphate 20272042.73 19591289.37 17139400.78 12003933.07 16678398.29 22284321.1 20788480.23 27955289.54 16734485.79 17173829.65 12651949.76 14175649.85 9995788.243 11312233.72 13447547.26 16463965.62 6748191.141 5488342.029 2451134.358 2570309.243 2352426.474 1549626.888 1416070.796 1685550.671 phenylacetylglycine 41069356.51 39724946.59 40677960.69 21840480.32 5718516.462 5497202.883 5658692.462 7383781.594 6478099.934 5540683.268 4706417.538 4872568.035 955809.8506 1114568.355 1530609.811 1944681.697 7958943.51 7309882.129 7007595.111 5414185.997 2127272.544 2306976.764 2507066.629 2680089.31 phenylalanine 1606510271 1465722779 1472942662 828746312.6 340538875.1 408845959.4 461587011.1 597098246.8 925012301.5 827379108.1 661705548.8 748156311.3 237016979.8 295949584 445318232.1 485333553.5 394637908.3 347210851.5 327078463.8 279621713.9 124138116.3 113893514.7 132289157.3 110475574.3 phosphocreatine 893155568.4 866685188.6 878469138 533163867 345918269.6 504978534.3 599623663.9 728348809.9 201856783.9 194647550 175109228.9 240617392.8 107110052.6 137622667.5 239502591 282714520.8 111460501 111315776.5 95938988.94 93946148.57 48011372.1 47917354.36 55296578.25 56843625.41 phosphoenolpyruvate 6162672.971 5467380.961 4703008.502 4494224.719 20913952.81 16066771.1 16519302.92 11702145.03 50645406.01 64899258.09 61706327.78 64933772.85 156858302.1 163667153.6 180569652.8 192655961.1 1762920.323 1665463.157 918064.8875 1012458.442 1785893.293 1426874.432 1324548.405 1093541.161 phosphoethanolamine 1932958.673 1752818.657 2186734.522 1247542.614 1847266.623 2499285.109 2110945.402 3260074.231 661836.4569 612290.3773 750227.1024 662858.3726 1343383.413 1234260.732 1190896.738 2198015.575 179519.268 148643.0808 180575.7292 102725.5177 125063.3438 82789.1191 82681.52651 123499.3369 phosphorylcholine 873404747.5 760491448.1 702726353.2 374755405.5 982799582 2011219470 1928593136 3370899418 563052427.2 516249601 334794428.9 485463427.6 1306979237 1832535174 1819913884 3842497270 37208545.18 29464993.02 23193903.58 20583754.99 31011527.28 39378851.98 33901938.65 54995559.26 proline 19234953065 18023284625 16657678985 12101204602 3857362085 5851997280 7047270921 8763021897 6168890397 5471716868 4144906822 4949865912 959036525.6 1303232062 2210207857 2568614396 3790708260 3370837596 2889640490 2646503908 615079660.4 743235910.1 930541451.5 890256011.8 pseudouridine 45199217.64 43973864.93 47966609.31 29155189.62 7787959.611 7443125.387 8408917.408 10180761.71 10762842.11 9149862.907 7786554.031 8790021.125 1825026.58 1832119.288 2831721.811 3125263.555 5738491.597 6099701.103 6195518.179 5117745.839 1479061.634 1392192.13 1641541.745 1616403.048 pyroglutamate 754490049.6 733209367.1 764792789.8 443398125 139692135.5 174384060.6 231120420.7 238578293.6 215657411 198308665.6 154505294.2 188194113.6 230223855 376502657.5 514494259 616730918.3 84635535.33 70466168.88 75833326.19 58405311.89 13256465.64 15501415.01 19198160.59 17129741.91 pyruvate 5996859.762 5730112.031 11201330.99 5432677.634 5280001.985 5717333.024 5231167.804 5605116.909 36208522.25 37969435.19 24664008.55 33567404.32 25327439.62 34206814.01 34647732.94 40963621.49 654656.3899 623284.2357 809668.1568 545529.3295 518089.4251 848906.0296 967818.0862 687891.6595 S-(2-succinyl)cysteine 1215973.204 1154370.287 1275350.668 809186.6463 475403.1767 610056.2591 571558.7537 1041606.384 123270.6645 106864.1496 98259.39405 127935.3015 28203.62996 43032.46643 72052.03858 124249.6921 0 0 0 0 0 0 0 0 S-adenosylhomocysteine 15651501.11 15983622.82 14589780.32 10021067.87 5006555.913 5357902.857 5583827.643 8637856.033 7801902.576 9410262.964 9961291.057 8207649.826 5828437.989 6862549.356 3787473.952 9937021.912 1362802.277 1464946.084 887184.8599 1047714.678 676450.5788 483115.0339 423983.7309 376988.9336 S-adenosylmethionine 150147672.3 137334295.7 138916858.7 128231028.1 106870317.1 133991641.3 117090845.1 88210364.89 157795695.4 145599101.2 111323928.1 136100511.4 104671482.4 98493641.96 120021565.9 87544858.99 77829163.3 68126792.32 56427464.4 59045906.37 37764102.76 41300396.49 31938274.92 26971552.91 sedoheptulose 7-phosphate 8716544.33 6937410.986 6511487.471 3642533.007 6289381.117 9768161.751 5689980.822 5047913.421 1553320.342 1144116.738 975075.14 1302623.621 1079624.377 1595469.033 1430207.578 1437822.594 799370.1244 637983.9551 479624.0664 454543.2418 555233.2325 982910.4722 447152.9875 278646.4836 serine 7811213.257 7264012.333 7392087.616 5982138.256 6120629.356 4877413.24 5975629.321 5430729.629 3018967.358 2646307.123 2627879.387 3209210.442 1914467.709 1707509.05 2903783.944 2643089.653 1487798.088 1250261.317 1221753.535 1279924.121 1355372.935 1144316.806 1582936.044 1001581.834 S-lactoylglutathione 1203891.074 956740.3166 737474.4841 262769.2329 241123.9464 409567.7849 424530.0975 676691.7687 1640425.609 2188737.636 1385419.321 1128188.294 2302480.2 2412243.321 1058541.288 3007955.47 224258.9126 223187.9348 69397.21104 137015.0068 48313.91444 89156.4012 44097.94372 31925.52052 sphinganine 59123856.75 65645684.44 72803965.92 48614973.91 68316568.36 74180387.18 90179269.13 86737933.82 173422291.7 187805555.8 222723376.4 209919013.7 220334649.6 229750930.6 256881894.4 300660377.7 282040.313 516570.4637 492159.5401 267543.2717 1255660.382 916237.573 785077.3642 743950.1645 succinate 22438645.61 22329141.16 25046636.71 15320034.25 11791267.84 13950402.97 16966845.56 22518558.81 10130915.96 10225348.19 14621689.04 10756706.11 9667354.584 8749311.895 10548310.62 17807169.96 0 0 0 0 0 0 0 0 targinine 12923179.62 12029215.17 11416188.16 6554393.135 2033845.986 2509414.651 2790632.489 4353409.749 3809777.433 3170490.135 2088340.004 3094158.208 1170901.78 1387521.127 1861783.302 2317951.399 832330.8031 724027.231 578278.172 480329.2409 131123.9228 140912.4254 216302.6921 220013.2509 taurine 185894818.3 165936288.4 169333230.8 115747242.5 79061839.54 102441345.5 104034756.7 140027278.8 52962468.86 46624177.53 43570964.54 42226095.58 25476319.16 32580647.63 36291095.46 38549937.8 35558218.72 31992587.94 28313900.27 26856448.09 17804801.36 21715677.27 27598214.64 23381400.4 thiamine 74494787 72236738.68 77221733.51 39652093.22 7025142.556 5162783.37 5317162.556 8650867.066 12170487.98 9565575.143 7802454.801 9096940.673 1549208.464 1664152.047 2528556.741 3486806.523 4855003.463 4051523.399 4349077.234 3103332.55 701494.3777 701697.4013 714309.8057 765915.257 thiamine pyrophosphate 6124590.686 6048044.231 4848136.05 3231952.831 3164942.883 3675986.412 4037718.245 5081334.226 16833996.59 17514558.21 11598177.37 15365089.29 11404263.14 12732900.18 15689415.48 15695237.75 248327.006 381659.3239 110744.2642 240270.7797 113196.5436 81278.88334 87818.97173 42585.79573 threonine 751186785.1 694219814.1 685213413.2 420757721.4 142736792.7 173748207.4 198127023 264833179.9 159726780.1 135088794.5 107329578 135316096.1 29030751.03 32574801.46 54312608.46 59922883.25 93411894.95 77815508.52 71342681.03 65080929.84 20709201.86 20319499.92 23399276.46 21727027.58 tryptophan 323836712.8 300096066.9 294378846.6 169268951.3 79011791.86 95437737.22 109052940.1 145214898.3 97101284.12 82394151.43 63702956.53 77272339.43 32791655.97 38246787.02 52931807.93 61200861.6 37487437.12 34144997.65 31495692.44 27017016.69 12611816.53 11934020.15 15086104.47 13721192.24 tyrosine 615654716.7 707223428.7 696898029.4 463930937 216676804.1 262236070.9 290921360 371740197.1 179114661.2 152850503.5 122288631.3 143150524 59996879.07 66025803.78 90282135.36 108212205.4 71052627.03 61470865.84 57491089.09 48745605.38 18251602.1 19213963.17 22908179.41 22766929.99 UDP 71693754.8 68694504.25 66603100.49 50460926.99 33024953.65 41602642.5 51302943.47 64737578.07 46532994.82 46405651 35311945.73 50341530.42 12850168.69 23981791.44 47497863.99 55741049.43 10605794.18 10190576.53 6656268.91 6180031.385 6070400.125 5608534.133 4568671.206 4408020.442 UDP-GlcNAc 684159933.2 719612021.2 589029069.7 417911476.6 393691531.9 419949315.5 495047668 587012443.2 426450703.5 456007971.8 366019204.2 442233404.7 366228310.6 418996786.1 519578139.3 673168057.6 63374105.19 63940918.48 43462249.42 39638922.46 25158324.79 18906730.47 22436443.15 24026964.18 UDP-glucuronate 41293524.79 46001959.01 31633268.65 19491037.74 19476949.15 30263735.8 42192255.97 37457091.46 11496481.72 12174226.6 9458938.715 14057993.66 10412513.79 18034066.99 37575201.04 43118968.6 4961428.839 4882043.462 3803098.86 3621458.151 3979442.288 3454514.559 4049054.709 2962568.634 UDP-glucose 125132243.5 110143823 95274491.8 53891608.4 110756250 170357032.5 183224334.4 202914379.5 15653706.44 13373201.14 10473553.28 10972178.12 29595674.71 44745426.36 70513714.11 92222559.93 7099114.372 6437897.426 4717550.422 3587750.356 8397671.045 8523490.469 8651329.781 7967774.26 UMP 7447639.802 8845794.265 8963295.445 7500318.535 9208578.862 11228600.42 12733009.25 17224669.55 18477906.93 18296032.58 17244892.83 17707450.62 34011618.37 34779430.98 39858566.23 43443219.42 1132349.264 1075907.11 1114140.996 919743.6636 974668.3569 904356.6424 988355.3105 1067393.092 uric acid 463854028.9 459731172 513385658.8 265914916.3 183098668.3 200807229.9 235113351 354788548 24405493.34 23369259.03 25894331.49 22108650.89 11350932.25 11891289.01 13758643.57 27250372.39 19467374.39 16856736.85 18537045.17 14278978.24 7102448.98 5930827.483 6447244.977 7725387.536 uridine 27622550.8 26802265.17 32298956.2 17922373.34 5905691.232 7774999.945 8289539.793 10300828.35 6036983.229 5992752.785 6392396.242 8096056.096 7967896.858 8615815.97 9894974.656 14205015.59 2358751.652 2483057.336 2833007.199 2224266.383 1284116.947 986798.8433 1019923.306 1037709.986 urocanate 4433348.105 5508054.599 4774319.049 3775960.588 13459749.05 3274674.828 5546426.881 7820024.74 3838141.668 2775948.187 4801119.411 3192755.13 7107584.624 5520428.821 9001087.949 14891792.32 2037505.489 1873257.171 2408185.426 1963863.878 2514507.067 2055279.553 6454678.934 1994783.455 valine 885678456.5 820696744.3 831894890.4 490871008.3 252364334.2 286155531.6 330469690.1 393800455.3 191503960.6 163463772.1 130826796.1 160688769.1 65566729.19 72181141.28 115902581.4 128326993.2 123931823.8 106715574.3 99251536.31 85721094.35 45722953.22 42244245.88 47690023.41 40725528.61 xanthine 14047254.58 14857844.08 14575648.99 10657452.06 7978102.727 8162939.844 6511242.69 12561782.1 5454181.979 5101680.882 5356579.279 7917656.427 5620824.784 5072835.716 8552369.729 8785142.447 4333220.752 4046549.681 3199502.312 3433056.426 2437490.566 1741383.341 1784564.408 1480891.367 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID MOLECULAR FORMULA KEGG_ID CHEMSPIDER_ID PUBCHEM_ID CAS_ID 1-methyladenosine HMDB0003331 C11H15N5O4 C02494 17216227 27476 15763-06-1 1-methylnicotinamide HMDB0000699 C7H9N2O C02918 444 457 1005-24-9 2/3-phosphoglycerate HMDB0000362 C3H7O7P C00631 58 59 2553-59-5 2-oxoglutarate HMDB0000208 C5H6O5 C00026 50 51 328-50-7 4-hydroxybenzaldehyde HMDB0011718 C7H6O2 C00633 123 126 123-08-0 4-hydroxyphenyllactate HMDB0000755 C9H10O4 C03672 9010 9378 306-23-0 4-hydroxyproline HMDB0000725 C5H9NO3 C01015 5605 5810 618-27-9 4-imidazolone-5-propanoate HMDB0001014 C6H8N2O3 C03680 125 128 17340-16-8 5-hydroxyindoleacetate HMDB0000763 C10H9NO3 C05635 1760 1826 54-16-0 7-methylguanine HMDB0000897 C6H7N5O C02242 10883 11361 578-76-7 acetyl-CoA HMDB0001206 C23H38N7O17P3S C00024 392413 444493 72-89-9 aconitate HMDB0000072 C6H6O6 C00417 558863 643757 585-84-2 adenosine HMDB0000050 C10H13N5O4 C00212 54923 60961 58-61-7 ADP HMDB0001341 C10H15N5O10P2 C00008 5800 6022 58-64-0 ADP-ribose HMDB0001178 C15H23N5O14P2 C00301 187 192 20762-30-5 alanine HMDB0000161 C3H7NO2 C00041 5735 5950 56-41-7 allantoin HMDB0000462 C4H6N4O3 C01551 199 204 97-59-6 AMP HMDB0000045 C10H14N5O7P C00020 5858 6083 61-19-8 anserine HMDB0000194 C10H16N4O3 C01262 100482 112072 584-85-0 arginine HMDB0000517 C6H14N4O2 C00062 6082 6322 1119-34-2 argininosuccinate HMDB0000052 C10H18N4O6 C03406 16059 16950 2387-71-5 asparagine HMDB0000168 C4H8N2O3 C00152 6031 6267 70-47-3 aspartate HMDB0000191 C4H7NO4 C00049 5745 5960 56-84-8 ATP HMDB0000538 C10H16N5O13P3 C00002 5742 5957 34369-07-8 beta-alanine HMDB0000056 C3H7NO2 C00099 234 239 107-95-9 betaine HMDB0000043 C5H11NO2 C00719 243 248 107-43-7 carnitine HMDB0000062 C7H16NO3 C00318 2006614 10917 541-15-1 carnitine C16 HMDB0000846 C23H45NO4 C02990 10128117 11953816 2364-67-2 carnitine C18 HMDB0000848 C25H49NO4 NA 4932275 52922056 25597-09-5 carnitine C2 HMDB0000201 C9H17NO4 C02571 5406074 7045767 3040-38-8 carnitine C3 HMDB0000824 C10H19NO4 C03017 164090 188824 20064-19-1 carnitine C3-DC HMDB0002095 C10H17NO6 NA 34999703 91825606 910825-21-7 carnitine C4 HMDB0002013 C11H21NO4 C02862 184820 213144 25576-40-3 carnitine C4-OH HMDB0013127 C11H21NO5 NA 28540388 53481617 1469900-92-2 carnitine C5-OH HMDB0062555 C12H23NO5 NA 52563890 57357187 99159-87-2 carnosine HMDB0000033 C9H14N4O3 C00386 388363 439224 305-84-0 CDP-ethanolamine HMDB0001564 C11H20N4O11P2 C00570 110296 123727 3036-18-8 choline HMDB0000097 C5H14NO C00114 299 305 123-41-1 cinnamate HMDB0000567 C9H8O2 C10438 10286933 5372954 102-94-3 citicoline HMDB0001413 C14H26N4O11P2 C00307 13208 13805 987-78-0 citrate HMDB0000094 C6H8O7 C00158 305 311 77-92-9 citrulline HMDB0000904 C6H13N3O3 C00327 " 9367 " 9750 372-75-8 CMP HMDB0000095 C9H14N3O8P C00055 5901 " 6131 " 63-37-6 CMP-N-Acetylneuraminate HMDB0001176 C20H31N4O16P C00128 395082 448209 3063-71-6 creatine HMDB0000064 C4H9N3O2 C00300 566 586 57-00-1 creatinine HMDB0000562 C4H7N3O C00791 568 588 60-27-5 cyclic AMP HMDB0000058 C10H12N5O6P C00575 5851 6076 60-92-4 cysteinylglycine HMDB0000078 C5H10N2O3S C01419 388596 439498 19246-18-5 cytidine HMDB0000089 C9H13N3O5 C00475 5940 6175 65-46-3 deoxycarnitine HMDB0001161 C7H15NO2 C01181 705 725 407-64-7 deoxycytidine HMDB0000014 C9H13N3O4 C00881 13117 13711 951-77-9 deoxyuridine HMDB0000012 C9H12N2O5 C00526 13118 13712 951-78-0 dihydroxyacetone phosphate HMDB0001473 C3H7O6P C00111 648 668 57-04-5 dipalmitoylphosphatidylcholine HMDB0000564 C40H80NO8P C00157 398235 452110 63-89-8 dissaccharide HMDB0000163 C12H22O11 C00208 9166684 10991489 69-79-4 dTMP HMDB0001227 C10H15N2O8P C00364 9319 9700 365-07-1 epsilon-(gamma-glutamyl)lysine HMDB0003869 C11H21N3O5 NA 5378717 7015684 17105-15-6 erythritol HMDB0002994 C4H10O4 C00503 192963 222285 149-32-6 FAD HMDB0001248 C27H33N9O15P2 C00016 559059 643975 146-14-5 fumarate HMDB0000134 C4H4O4 C00122 10197150 444972 110-17-8 gamma-glutamylalanine HMDB0006248 C8H14N2O5 C03740 389104 440103 5875-41-2 gamma-glutamylcysteine HMDB0001049 C8H14N2O5S C00669 110467 123938 636-58-8 gamma-glutamylglutamate HMDB0011737 C10H16N2O7 C05282 83831 92865 1116-22-9 gamma-glutamylglycine HMDB0011667 C7H12N2O5 NA 145071 165527 1948-29-4 GDP HMDB0001201 C10H15N5O11P2 C00035 8630 8977 146-91-8 GDP-fucose HMDB0001095 C16H25N5O15P2 C00325 388350 439211 15839-70-0 gluconate HMDB0000625 C6H12O7 C00257 10240 10690 526-95-4 glucosamine 6-phosphate HMDB0001254 C6H14NO8P C00352 388356 439217 55722-81-1 glutamate HMDB0000148 C5H9NO4 C00025 591 33032 56-86-0 glutamine HMDB0000641 C5H10N2O3 C00064 5746 5961 56-85-9 glutathione reduced HMDB0000125 C10H17N3O6S C00051 111188 124886 70-18-8 glyceraldehyde 3-phosphate HMDB0001112 C3H7O6P C00661 388314 439168 591-59-3 glycerol 2-phosphate HMDB0002520 C3H9O6P C02979 2431 2526 17181-54-3 glycerol 3-phosphate HMDB0000126 C3H9O6P C00093 388308 439162 57-03-4 glycerophosphocholine HMDB0000086 C8H20NO6P C00670 571409 657272 28319-77-9 glycine HMDB0000123 C2H5NO2 C00037 730 750 56-40-6 GMP HMDB0001397 C10H14N5O8P C00144 6545 6804 85-32-5 guanidinoacetate HMDB0000128 C3H7N3O2 C00581 743 763 352-97-6 guanine HMDB0000132 C5H5N5O C00242 744 764 73-40-5 guanosine HMDB0000133 C10H13N5O5 C00387 6544 6802 118-00-3 hexitol HMDB0000765 C6H14O6 C00392 6015 6251 69-65-8 hexose phosphate HMDB0001401 C6H13O9P C00092 5743 5958 56-73-5 histidine HMDB0000177 C6H9N3O2 C00135 6038 6274 71-00-1 homoarginine HMDB0000670 C7H16N4O2 C01924 8732 9085 156-86-5 homocitrulline HMDB0000679 C7H15N3O3 C02427 58582 65072 1190-49-4 hypotaurine HMDB0000965 C2H7NO2S C00519 96959 107812 300-84-5 hypoxanthine HMDB0000157 C5H4N4O C00262 768 790 68-94-0 IMP HMDB0000175 C10H13N4O8P C00130 8264 8582 131-99-7 Indole-3-acrylate HMDB0000734 C11H9NO2 NA 13899 5375048 29953-71-7 Indole-3-aldehyde HMDB0029737 C9H7NO C08493 9838 10256 487-89-8 inosine HMDB0000195 C10H12N4O5 C00294 5799 6021 58-63-9 isoleucine HMDB0000172 C6H13NO2 C00407 6067 6306 73-32-5 kynurenine HMDB0000684 C10H12N2O3 C00328 " 141580 " 161166 2922-83-0 lactate HMDB0000190 C3H6O3 C01432 96860 107689 79-33-4 leucine HMDB0000687 C6H13NO2 C00123 5880 6106 328-39-2 lysine HMDB0000182 C6H14N2O2 C00047 5747 5962 56-87-1 malate HMDB0031518 C4H6O5 C00497 83793 92824 636-61-3 methionine HMDB0000696 C5H11NO2S C00073 5907 6137 63-68-3 methionine sulfone HMDB0062174 C5H11NO4S NA 392966 445282 7314-32-1 methionine sulfoxide HMDB0002005 C5H11NO3S C02989 139840 158980 3226-65-1 methylhistidine HMDB0000001 C7H11N3O2 C01152 83153 92105 332-80-9 N2-gamma-glutamylglutamine HMDB0011738 C10H17N3O6 C05283 133013 150914 10148-81-9 N3,N4-dimethylarginine HMDB0003334 " C8H18N4O2" NA 147942 169148 30344-00-4 N6,N6,N6-trimethyllysine HMDB0001325 C9H20N2O2 C03793 389120 440120 19253-88-4 N6-methyllysine HMDB0002038 C7H16N2O2 C02728 144469 164795 1188-07-4 N-acetylaspartate HMDB0000812 C6H9NO5 C01042 58576 65065 997-55-7 N-acetylglutamine HMDB0006029 C7H12N2O4 NA 158492 182230 2490-97-3 N-acetylhistidine HMDB0032055 C8H11N3O3 C02997 68142 75619 2497-02-1 N-acetylmethionine HMDB0011745 C7H13NO3S C02712 395338 448580 65-82-7 N-acetylneuraminate HMDB0000230 C11H19NO9 C00270 392810 445063 131-48-6 N-acetylserine HMDB0002931 C5H9NO4 NA 58744 65249 97-14-3 NAD HMDB0000902 C21H27N7O14P2 C00003 5682 5892 53-84-9 NADH HMDB0001487 C21H29N7O14P2 C00004 903 " 439153 " 58-68-4 NADP HMDB0000217 C21H28N7O17P3 C00006 5674 5885 53-59-8 NADPH HMDB0000221 C21H30N7O17P3 C00005 5673 5884 53-57-6 N-formylmethionine HMDB0001015 C6H11NO3S C03145 388809 439750 4289-98-9 nicotinamide mononucleotide HMDB0000229 C11H15N2O8P C00455 13554 14181 1094-61-7 nicotinamide riboside HMDB0000855 C11H15N2O5 C03150 388956 439924 1341-23-7 ophthalmate HMDB0005765 C11H19N3O6 C21016 5381695 7018721 495-27-2 ornithine HMDB0000214 C5H12N2O2 C00077 6026 6262 3184-13-2 orotate HMDB0000226 C5H4N2O4 C00295 942 967 65-86-1 oxidized glutathione HMDB0003337 C20H32N6O12S2 C00127 58835 65359 27025-41-8 palmitoyl sphingomyelin HMDB0010169 C39H79N2O6P NA 4956085 9939941 6254-89-3 pantothenate HMDB0000210 C9H17NO5 C00864 6361 6613 137-08-6 pentitol HMDB0000508 C5H12O5 C00474 10254628 NA 488-81-3 pentose phosphate HMDB0001548 C5H11O8P C00117 389102 440101 4300-28-1 phenylacetylglycine HMDB0000821 C10H11NO3 C05598 61452 27480 500-98-1 phenylalanine HMDB0000159 C9H11NO2 C02057 5910 6140 63-91-2 phosphocreatine HMDB0001511 C4H10N3O5P C02305 567 587 67-07-2 phosphoenolpyruvate HMDB0000263 C3H5O6P C00074 980 1005 138-08-9 phosphoethanolamine HMDB0000224 C2H8NO4P C00346 990 1015 1071-23-4 phosphorylcholine HMDB0001565 C5H14NO4P C00588 989 1014 3616-04-4 proline HMDB0000162 C5H9NO2 C16435 128566 " 145742 " 147-85-3 pseudouridine HMDB0000767 C9H12N2O6 C02067 14319 15047 1445-07-4 pyroglutamate HMDB0000267 C5H7NO3 C01879 7127 7405 98-79-3 pyruvate HMDB0000243 C3H4O3 C00022 1031 1060 127-17-3 S-(2-succinyl)cysteine NA C7H11NO6S NA 8439019 NA 547764-73-8 S-adenosylhomocysteine HMDB0000939 C14H20N6O5S C00021 388301 439155 979-92-0 S-adenosylmethionine HMDB0001185 C15H22N6O5S C00019 21169292 34756 485-80-3 sedoheptulose 7-phosphate HMDB0258206 C7H15O10P C05382 596 616 2646-35-7 serine HMDB0000187 C3H7NO3 C00065 5736 5951 56-45-1 S-lactoylglutathione HMDB0001066 C13H21N3O8S C03451 389032 440018 25138-66-3 sphinganine HMDB0000269 C18H39NO2 C00836 82609 91486 764-22-7 succinate HMDB0000254 C4H6O4 C00042 1078 1738118 110-15-6 targinine HMDB0029416 C7H16N4O2 C03884 117259 132862 17035-90-4 taurine HMDB0000251 C2H7NO3S C00245 1091 1123 107-35-7 thiamine HMDB0000235 C12H17N4OS C00378 1098 1130 67-03-8 thiamine pyrophosphate HMDB0001372 C12H18N4O7P2S C00068 1100 1132 154-87-0 threonine HMDB0000167 C4H9NO3 C00188 6051 6288 72-19-5 tryptophan HMDB0000929 C11H12N2O2 C00078 6066 6305 73-22-3 tyrosine HMDB0000158 C9H11NO3 C01536 5833 6057 60-18-4 UDP HMDB0000295 C9H14N2O12P2 C00015 5809 6031 58-98-0 UDP-GlcNAc HMDB0000290 C17H27N3O17P2 C00043 393240 445675 528-04-1 UDP-glucuronate HMDB0000935 C15H22N2O18P2 C00167 16522 17473 2616-64-0 UDP-glucose HMDB0000286 C15H24N2O17P2 C00029 388302 8629 133-89-1 UMP HMDB0000288 C9H13N2O9P C00105 5808 6030 58-97-9 uric acid HMDB0000289 C5H4N4O3 C00366 1142 1175 69-93-2 uridine HMDB0000296 C9H12N2O6 C00299 5807 6029 58-96-8 urocanate HMDB0000301 C6H6N2O2 C00785 643824 736715 104-98-3 valine HMDB0000883 C5H11NO2 C16436 6050 6287 72-18-4 xanthine HMDB0000292 C5H4N4O2 C00385 1151 1188 69-89-6 METABOLITES_END #END