#METABOLOMICS WORKBENCH elledog96_20231116_061946 DATATRACK_ID:4465 STUDY_ID:ST002984 ANALYSIS_ID:AN004903 PROJECT_ID:PR001859 VERSION 1 CREATED_ON November 27, 2023, 8:43 am #PROJECT PR:PROJECT_TITLE Amino acid catabolite markers for early prognostication of pneumonia in patients PR:PROJECT_TITLE with COVID-19 PR:PROJECT_SUMMARY Effective early-stage markers for predicting which patients are at risk of PR:PROJECT_SUMMARY developing SARS-CoV-2 infection have not been fully investigated. Here, we PR:PROJECT_SUMMARY performed comprehensive serum metabolome analysis of a total of 83 patients from PR:PROJECT_SUMMARY two cohorts to determine that the acceleration of amino acid catabolism within 5 PR:PROJECT_SUMMARY days from disease onset correlated with future disease severity. Increased PR:PROJECT_SUMMARY levels of de-aminated amino acid catabolites involved in the de novo nucleotide PR:PROJECT_SUMMARY synthesis pathway were identified as early prognostic markers that correlated PR:PROJECT_SUMMARY with the initial viral load. We further employed mice models of SARS-CoV2-MA10 PR:PROJECT_SUMMARY and influenza infection to demonstrate that such de-amination of amino acids and PR:PROJECT_SUMMARY de novo synthesis of nucleotides were associated with the abnormal proliferation PR:PROJECT_SUMMARY of airway and vascular tissue cells in the lungs during the early stages of PR:PROJECT_SUMMARY infection. Consequently, it can be concluded that lung parenchymal tissue PR:PROJECT_SUMMARY remodeling in the early stages of respiratory viral infections induces systemic PR:PROJECT_SUMMARY metabolic remodeling and that the associated key amino acid catabolites are PR:PROJECT_SUMMARY valid predictors for excessive inflammatory response in later disease stages. PR:INSTITUTE Graduate School of Medicine, Kyoto University PR:DEPARTMENT Center for Cancer Immunotherapy and Immunobiology PR:LABORATORY Sugiura-lab PR:LAST_NAME Sugiura PR:FIRST_NAME Yuki PR:ADDRESS Shogoin-Kawaramachi 53, Sakyo-ku, Kyoto 606-8507, Japan PR:EMAIL yuki.sgi@gmail.com PR:PHONE +818050027858 #STUDY ST:STUDY_TITLE Amino acid catabolite markers for early prognostication of pneumonia in patients ST:STUDY_TITLE with COVID-19 ST:STUDY_SUMMARY Effective early-stage markers for predicting which patients are at risk of ST:STUDY_SUMMARY developing SARS-CoV-2 infection have not been fully investigated. Here, we ST:STUDY_SUMMARY performed comprehensive serum metabolome analysis of a total of 83 patients from ST:STUDY_SUMMARY two cohorts to determine that the acceleration of amino acid catabolism within 5 ST:STUDY_SUMMARY days from disease onset correlated with future disease severity. Increased ST:STUDY_SUMMARY levels of de-aminated amino acid catabolites involved in the de novo nucleotide ST:STUDY_SUMMARY synthesis pathway were identified as early prognostic markers that correlated ST:STUDY_SUMMARY with the initial viral load. We further employed mice models of SARS-CoV2-MA10 ST:STUDY_SUMMARY and influenza infection to demonstrate that such de-amination of amino acids and ST:STUDY_SUMMARY de novo synthesis of nucleotides were associated with the abnormal proliferation ST:STUDY_SUMMARY of airway and vascular tissue cells in the lungs during the early stages of ST:STUDY_SUMMARY infection. Consequently, it can be concluded that lung parenchymal tissue ST:STUDY_SUMMARY remodeling in the early stages of respiratory viral infections induces systemic ST:STUDY_SUMMARY metabolic remodeling and that the associated key amino acid catabolites are ST:STUDY_SUMMARY valid predictors for excessive inflammatory response in later disease stages. ST:INSTITUTE Graduate School of Medicine, Kyoto University ST:DEPARTMENT Center for Cancer Immunotherapy and Immunobiology ST:LABORATORY Sugiura-lab ST:LAST_NAME Sugiura ST:FIRST_NAME Yuki ST:ADDRESS Shogoin-Kawaramachi 53,, Sakyo-ku, Kyoto, Kyoto, 160-8582, Japan ST:EMAIL yuki.sgi@gmail.com ST:PHONE +818050027858 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #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 - 1 Symotons:Negative RAW_FILE_NAME=1 SUBJECT_SAMPLE_FACTORS - 2 Symotons:Negative RAW_FILE_NAME=2 SUBJECT_SAMPLE_FACTORS - 3 Symotons:Negative RAW_FILE_NAME=3 SUBJECT_SAMPLE_FACTORS - 4 Symotons:Negative RAW_FILE_NAME=4 SUBJECT_SAMPLE_FACTORS - 5 Symotons:Negative RAW_FILE_NAME=5 SUBJECT_SAMPLE_FACTORS - 6 Symotons:Negative RAW_FILE_NAME=6 SUBJECT_SAMPLE_FACTORS - 7 Symotons:Negative RAW_FILE_NAME=7 SUBJECT_SAMPLE_FACTORS - 8 Symotons:Negative RAW_FILE_NAME=8 SUBJECT_SAMPLE_FACTORS - 9 Symotons:Negative RAW_FILE_NAME=9 SUBJECT_SAMPLE_FACTORS - 10 Symotons:Negative RAW_FILE_NAME=10 SUBJECT_SAMPLE_FACTORS - 11 Symotons:Negative RAW_FILE_NAME=11 SUBJECT_SAMPLE_FACTORS - 12 Symotons:Negative RAW_FILE_NAME=12 SUBJECT_SAMPLE_FACTORS - 13 Symotons:Negative RAW_FILE_NAME=13 SUBJECT_SAMPLE_FACTORS - 14 Symotons:Negative RAW_FILE_NAME=14 SUBJECT_SAMPLE_FACTORS - 15 Symotons:Negative RAW_FILE_NAME=15 SUBJECT_SAMPLE_FACTORS - 16 Symotons:Negative RAW_FILE_NAME=16 SUBJECT_SAMPLE_FACTORS - 17 Symotons:Negative RAW_FILE_NAME=17 SUBJECT_SAMPLE_FACTORS - 18 Symotons:asymptomatic RAW_FILE_NAME=18 SUBJECT_SAMPLE_FACTORS - 19 Symotons:asymptomatic RAW_FILE_NAME=19 SUBJECT_SAMPLE_FACTORS - 20 Symotons:asymptomatic RAW_FILE_NAME=20 SUBJECT_SAMPLE_FACTORS - 21 Symotons:asymptomatic RAW_FILE_NAME=21 SUBJECT_SAMPLE_FACTORS - 22 Symotons:asymptomatic RAW_FILE_NAME=22 SUBJECT_SAMPLE_FACTORS - 23 Symotons:asymptomatic RAW_FILE_NAME=23 SUBJECT_SAMPLE_FACTORS - 24 Symotons:asymptomatic RAW_FILE_NAME=24 SUBJECT_SAMPLE_FACTORS - 25 Symotons:mild RAW_FILE_NAME=25 SUBJECT_SAMPLE_FACTORS - 26 Symotons:mild RAW_FILE_NAME=26 SUBJECT_SAMPLE_FACTORS - 27 Symotons:mild RAW_FILE_NAME=27 SUBJECT_SAMPLE_FACTORS - 28 Symotons:mild RAW_FILE_NAME=28 SUBJECT_SAMPLE_FACTORS - 29 Symotons:mild RAW_FILE_NAME=29 SUBJECT_SAMPLE_FACTORS - 30 Symotons:mild RAW_FILE_NAME=30 SUBJECT_SAMPLE_FACTORS - 31 Symotons:mild RAW_FILE_NAME=31 SUBJECT_SAMPLE_FACTORS - 32 Symotons:mild RAW_FILE_NAME=32 SUBJECT_SAMPLE_FACTORS - 33 Symotons:mild RAW_FILE_NAME=33 SUBJECT_SAMPLE_FACTORS - 34 Symotons:mild RAW_FILE_NAME=34 SUBJECT_SAMPLE_FACTORS - 35 Symotons:mild RAW_FILE_NAME=35 SUBJECT_SAMPLE_FACTORS - 36 Symotons:mild RAW_FILE_NAME=36 SUBJECT_SAMPLE_FACTORS - 37 Symotons:mild RAW_FILE_NAME=37 SUBJECT_SAMPLE_FACTORS - 38 Symotons:mild RAW_FILE_NAME=38 SUBJECT_SAMPLE_FACTORS - 39 Symotons:mild RAW_FILE_NAME=39 SUBJECT_SAMPLE_FACTORS - 40 Symotons:mild RAW_FILE_NAME=40 SUBJECT_SAMPLE_FACTORS - 41 Symotons:mild RAW_FILE_NAME=41 SUBJECT_SAMPLE_FACTORS - 42 Symotons:moderate RAW_FILE_NAME=42 SUBJECT_SAMPLE_FACTORS - 43 Symotons:moderate RAW_FILE_NAME=43 SUBJECT_SAMPLE_FACTORS - 44 Symotons:moderate RAW_FILE_NAME=44 SUBJECT_SAMPLE_FACTORS - 45 Symotons:moderate RAW_FILE_NAME=45 SUBJECT_SAMPLE_FACTORS - 46 Symotons:moderate RAW_FILE_NAME=46 SUBJECT_SAMPLE_FACTORS - 47 Symotons:moderate RAW_FILE_NAME=47 SUBJECT_SAMPLE_FACTORS - 48 Symotons:moderate RAW_FILE_NAME=48 SUBJECT_SAMPLE_FACTORS - 49 Symotons:moderate RAW_FILE_NAME=49 SUBJECT_SAMPLE_FACTORS - 50 Symotons:moderate RAW_FILE_NAME=50 SUBJECT_SAMPLE_FACTORS - 51 Symotons:moderate RAW_FILE_NAME=51 SUBJECT_SAMPLE_FACTORS - 52 Symotons:moderate RAW_FILE_NAME=52 SUBJECT_SAMPLE_FACTORS - 53 Symotons:moderate RAW_FILE_NAME=53 SUBJECT_SAMPLE_FACTORS - 54 Symotons:moderate RAW_FILE_NAME=54 SUBJECT_SAMPLE_FACTORS - 55 Symotons:moderate RAW_FILE_NAME=55 SUBJECT_SAMPLE_FACTORS - 56 Symotons:moderate RAW_FILE_NAME=56 SUBJECT_SAMPLE_FACTORS - 57 Symotons:severe RAW_FILE_NAME=57 SUBJECT_SAMPLE_FACTORS - 58 Symotons:severe RAW_FILE_NAME=58 SUBJECT_SAMPLE_FACTORS - 59 Symotons:severe RAW_FILE_NAME=59 SUBJECT_SAMPLE_FACTORS - 60 Symotons:severe RAW_FILE_NAME=60 SUBJECT_SAMPLE_FACTORS - 61 Symotons:severe RAW_FILE_NAME=61 SUBJECT_SAMPLE_FACTORS - 62 Symotons:severe RAW_FILE_NAME=62 SUBJECT_SAMPLE_FACTORS - 63 Symotons:severe RAW_FILE_NAME=63 SUBJECT_SAMPLE_FACTORS - 64 Symotons:severe RAW_FILE_NAME=64 SUBJECT_SAMPLE_FACTORS - 65 Symotons:severe RAW_FILE_NAME=65 SUBJECT_SAMPLE_FACTORS - 66 Symotons:severe RAW_FILE_NAME=66 SUBJECT_SAMPLE_FACTORS - 67 Symotons:severe RAW_FILE_NAME=67 SUBJECT_SAMPLE_FACTORS - 68 Symotons:severe RAW_FILE_NAME=68 SUBJECT_SAMPLE_FACTORS - 69 Symotons:severe RAW_FILE_NAME=69 SUBJECT_SAMPLE_FACTORS - 70 Symotons:severe RAW_FILE_NAME=70 SUBJECT_SAMPLE_FACTORS - 71 Symotons:severe RAW_FILE_NAME=71 #COLLECTION CO:COLLECTION_SUMMARY Residual serum samples for biochemical and immunological tests were collected CO:COLLECTION_SUMMARY from patients with suspected SARS-CoV-2 infection who underwent RT-PCR testing CO:COLLECTION_SUMMARY of nasopharyngeal swab or saliva samples at Keio University Hospital or Osaka CO:COLLECTION_SUMMARY Metropolitan University Hospital from March 2020 to January 2021. The diagnosis CO:COLLECTION_SUMMARY of COVID-19 was based on a positive RT-PCR test from a nasopharyngeal swab or CO:COLLECTION_SUMMARY saliva sample. The classification of severity was based on the Japanese Ministry CO:COLLECTION_SUMMARY of Health, Labour and Welfare’s classification of severity (criteria for CO:COLLECTION_SUMMARY evaluation by healthcare professionals) and was defined as follows: CO:COLLECTION_SUMMARY asymptomatic, no symptoms associated with COVID-19; mild disease, CO:COLLECTION_SUMMARY SARS-CoV-2-positive with no findings of pneumonia; moderate disease, CO:COLLECTION_SUMMARY SARS-CoV-2-positive with findings of pneumonia but not requiring a ventilator or CO:COLLECTION_SUMMARY intensive care unit (ICU) management; and severe disease, SARS-CoV-2-positive CO:COLLECTION_SUMMARY requiring ventilator or ICU management, including death attributed to COVID-19 CO:COLLECTION_SUMMARY during the treatment period. For a negative control, residual serum samples were CO:COLLECTION_SUMMARY collected from patients who underwent RT-PCR testing using nasopharyngeal swab CO:COLLECTION_SUMMARY fluid between April and May 2020 at Keio University Hospital and received CO:COLLECTION_SUMMARY negative RT-PCR test results, making them clinically unlikely to have COVID-19. CO:COLLECTION_SUMMARY The study included the early patient cohorts of waves 1, 2, and 3 of COVID-19 CO:COLLECTION_SUMMARY conducted in Japan from March to December 2020. For cohorts 1 and 2, patients CO:COLLECTION_SUMMARY were not excluded because of comorbidities, as the main objective was to include CO:COLLECTION_SUMMARY the greatest possible number of severe cases for which specimens were available CO:COLLECTION_SUMMARY early after disease onset. Cases in the mild and moderate groups were selected CO:COLLECTION_SUMMARY based on matching age and sex distribution with the severe group. No specific CO:COLLECTION_SUMMARY exclusions were made in any group during the study period, mainly because the CO:COLLECTION_SUMMARY number of samples was limited. Asymptomatic and mildly symptomatic patients were CO:COLLECTION_SUMMARY selected for inclusion by balancing the sex ratio. The higher proportion of CO:COLLECTION_SUMMARY males in the moderate and severe categories is due to the observed tendency for CO:COLLECTION_SUMMARY males to be more severely affected. This was particularly true for patients CO:COLLECTION_SUMMARY hospitalized during the study period. Sample collection and utilization were CO:COLLECTION_SUMMARY conducted under the approval of the Ethics Committee of the Keio University CO:COLLECTION_SUMMARY School of Medicine (approval numbers 20200059 and 20200063) and the Ethics CO:COLLECTION_SUMMARY Committee of Osaka Metropolitan University Graduate School of Medicine (approval CO:COLLECTION_SUMMARY number 2020-003). The use of residual samples was conducted on an opt-out basis CO:COLLECTION_SUMMARY based on the approval of the relevant ethics committees. All samples were stored CO:COLLECTION_SUMMARY at -80 °C. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No Treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen serum samples of Cohort-1 participants, together with internal standard SP:SAMPLEPREP_SUMMARY compounds were sonicated in ice-cold methanol (500 μL), to which an equal SP:SAMPLEPREP_SUMMARY volume of chloroform and 0.4 times the volume of ultrapure water (LC/MS grade, SP:SAMPLEPREP_SUMMARY Wako Pure Chemical, Tokyo, Japan) were added. The suspension was centrifuged at SP:SAMPLEPREP_SUMMARY 15,000 × g for 15 min at 4 °C. The aqueous phase was then filtered in an SP:SAMPLEPREP_SUMMARY ultrafiltration tube (Ultrafree MC-PLHCC, Human Metabolome Technologies, SP:SAMPLEPREP_SUMMARY Tsuruoka City, Japan), and the filtrate was concentrated using a vacuum SP:SAMPLEPREP_SUMMARY concentrator (SpeedVac; Thermo Fisher Scientific, Waltham, MA, USA). The SP:SAMPLEPREP_SUMMARY concentrated filtrate was dissolved in 50 μL ultrapure water and subjected to SP:SAMPLEPREP_SUMMARY IC-HR-MS analysis. Methionine sulfone (L-Met) and 2-morpholinoethanesulfonic SP:SAMPLEPREP_SUMMARY acid (MES) were used as internal standards for cationic and anionic metabolites, SP:SAMPLEPREP_SUMMARY respectively. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolites were detected using an orbitrap-type MS instrument (Q-Exactive CH:CHROMATOGRAPHY_SUMMARY focus; Thermo Fisher Scientific) connected to a high-performance IC system CH:CHROMATOGRAPHY_SUMMARY (ICS-5000+, Thermo Fisher Scientific) that enabled highly selective and CH:CHROMATOGRAPHY_SUMMARY sensitive metabolite quantification owing to the IC separation and Fourier CH:CHROMATOGRAPHY_SUMMARY transfer MS principle. The IC instrument was equipped with an anion electrolytic CH:CHROMATOGRAPHY_SUMMARY suppressor (Dionex AERS 500; Thermo Fisher Scientific) to convert the potassium CH:CHROMATOGRAPHY_SUMMARY hydroxide gradient into pure water before the sample entered the MS instrument. CH:CHROMATOGRAPHY_SUMMARY Separation was performed using a Dionex IonPac AS11-HC 4 μm particle size CH:CHROMATOGRAPHY_SUMMARY column (Thermo Fisher Scientific). The IC flow rate was 0.25 mL/min, CH:CHROMATOGRAPHY_SUMMARY supplemented post-column with 0.18 mL/min makeup flow of MeOH. The potassium CH:CHROMATOGRAPHY_SUMMARY hydroxide gradient conditions for IC separation were as follows: from 1 mM to CH:CHROMATOGRAPHY_SUMMARY 100 mM (0–40 min) to 100 mM (40–50 min) and to 1 mM (50.1–60 min) at a CH:CHROMATOGRAPHY_SUMMARY column temperature of 30 °C. The mass spectrometer was operated in the CH:CHROMATOGRAPHY_SUMMARY ESI-positive and negative mode with polarity switching, for all detections. A CH:CHROMATOGRAPHY_SUMMARY full mass scan (m/z 70–900) was performed at a resolution of 70,000. The CH:CHROMATOGRAPHY_SUMMARY automatic gain control target was set at 3 × 106 ions, and the maximum ion CH:CHROMATOGRAPHY_SUMMARY injection time was 100 ms. The source ionization parameters were optimized with CH:CHROMATOGRAPHY_SUMMARY a spray voltage of 3 kV, and other parameters were as follows: transfer CH:CHROMATOGRAPHY_SUMMARY temperature, 320 °C; S-Lens level, 50; heater temperature, 300 °C; sheath gas, CH:CHROMATOGRAPHY_SUMMARY 36; and aux gas, 10. CH:CHROMATOGRAPHY_TYPE Ion exchange CH:INSTRUMENT_NAME Thermo Dionex ICS-5000+ CH:COLUMN_NAME Dionex IonPac AS11-HC (250 x 2mm, 4um) CH:SOLVENT_A The potassium hydroxide gradient conditions CH:SOLVENT_B N/A CH:FLOW_GRADIENT From 1 mM to 100 mM (0–40 min) to 100 mM (40–50 min) and to 1 mM (50.1–60 CH:FLOW_GRADIENT min) CH:FLOW_RATE 0.25 mL/min, supplemented post-column with 0.18 mL/min makeup flow of MeOH CH:COLUMN_TEMPERATURE 30 °C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Focus MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS For IC-HR-MS data analysis, the Trace Finder compound identification and MS:MS_COMMENTS confirmation setup parameters included a molecular ion intensity threshold MS:MS_COMMENTS override of 10,000, S/N 5, and mass tolerance of 5 ppm. Isotope pattern analysis MS:MS_COMMENTS using a 90% fit threshold, 30% allowable relative intensity deviation, and 5 ppm MS:MS_COMMENTS mass deviation was also performed to ensure that the relative intensities of the MS:MS_COMMENTS M + 1 and/or M + 2 isotope peaks for each compound were consistent with the MS:MS_COMMENTS theoretical relative intensities. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area/Internal Standard MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 Factors Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe 1-Methyluracil 178785491.4 287390740.7 67348253.28 225395161.3 157256045.5 287709918.5 191798724.3 170995621.2 56117139.96 218257024.8 61927116.83 255684441.7 157343675.4 231707952.1 237262969.6 153832928.3 153142041.4 189047257.9 208401658.8 0 244996321.3 240724789.9 151401484.9 145666446.5 62717622.08 0 52671984.05 135722463.1 190166021.5 419797890.1 0 53042027.19 308245997.9 34765709.16 201209538.3 466141748.9 271359683.8 102771980.3 206928404.3 0 158233486.9 88773100.62 89732311.32 54919243.19 211444104.1 160077327.7 274224958.9 159868961.7 110738743 36168674.7 153058852.1 135408184.7 0 370011566.3 222519919.5 127771382.5 231635194.6 144445466.5 333624449.9 222470774.1 111008992.8 177082233.1 0 262811520.7 120118372.9 271193409 85878865.04 224598831.5 124359776 110959634 236989052.8 2,3-Dihydroxybenzoate 180272230.9 279743209.9 71996724.89 130268145.2 51231152.2 154213994.6 117401133.9 207483853.3 146401622.7 73514049.59 29425509.11 54452321.2 881720167.1 237145672.1 346740011.9 474315309.8 1076513919 844974329.1 702558056.9 280643827.9 221209687.3 488042717.1 1616208452 126770805.8 171067940.6 244890069.5 262245264.2 235920208.2 1074732473 2432521377 313332426.3 106690976.5 2723334578 524074057.5 376892947.7 976791960.5 299746047.4 339287181.6 2087138044 205712000 362661546.3 115660677.6 2211730542 721617443.5 101998468.6 1507020516 745377668.3 445277623.5 207777204.5 501794511.4 350254377.4 761066107 669088063.7 401614939.8 118560965.8 46887036.04 71016920.47 514653526.1 106600978 134991311.2 85678057.55 346906073.2 803056783.9 728196313.4 366040219.4 168277147.5 120813750.5 97797955.21 451805879.6 1203519376 114799619.2 2,6-Pyridinedicarboxylic acid 11237669267 11418626543 37456247271 12185813844 18484175676 6.09E+11 20784314670 31950024083 13894016734 13396930579 27535785102 9871430364 20302271480 12361613652 44707703041 32995621507 12739762313 12460263127 8053816351 9049339185 16215925199 14977771709 8199149058 10918611625 8958237261 6650606457 13335962612 20679152645 9786897204 11836830094 7416085714 13697032550 11859200107 17736851885 14305816337 10894504937 12714341403 22353499589 17728420683 19974769684 13258221710 22143563655 53707271816 95250586525 25891796325 27551113098 30083972085 35171054414 51303903377 28328078313 17094901265 28372092865 38681470557 12766781687 21859882495 26796017214 39929217597 53836833990 36566260636 27218563191 43441894335 58907904187 17717413568 40741798157 26994472578 15661727175 60635049109 43573468354 31793993934 25375715285 36444697763 2-C-Methyl-D-erythritol 4-phosphate 9711261310 7405280864 6267641376 7431995968 11334089616 6440016304 6607982282 5856319650 4746241886 7181128099 5408507503 7629581556 4904967780 6302735398 8634133572 10193208384 6781359743 8770238040 7236684242 15588864100 7753952177 9063191877 6456263278 9725656539 6768226645 6468540253 8182738784 6271479618 6065315699 8348365353 5906401361 5019449526 6815592316 6879106373 6593084729 7512492948 5420691206 7062509860 8441680861 5880008421 9459335381 7439190965 11197471108 11952926165 7823453292 6936815360 17873312534 15333347029 16279521107 13495609103 12385734436 12336895068 15096491777 8229915181 9932652716 8609081764 3843895431 13132210250 17807393154 5813088468 10133515737 6729604300 7840221106 8001035945 10828698812 7177273906 5707817024 16201801363 15098768082 9523613025 11566471204 2-Deoxy-D-ribose 5-phosphate 40467238.69 105824074.1 47596615.72 0 0 109614130.4 71316796.6 71240831.96 43079107.51 113244628.1 72556806 86799247.18 107442720.8 57749472.2 108954681 176613608.7 0 94703617.27 88394549.76 126567950.2 45638258.74 0 118877784.1 0 50996284.5 38520228.85 17367397.81 25093235.04 106682150.5 112269294.8 0 77578491.97 0 30508078.99 0 125895627.6 0 168247329.5 308292934 0 0 167920431.2 298395047.2 254001384.4 217896886.2 125352446.1 157807334.4 0 0 44417670.68 378656128.4 0 227495490.7 0 15330784.71 0 0 109578624.6 142121760.4 92432069.51 0 119972463.2 203920603 28822119.82 84406307.13 0 0 131519961.1 226453103.1 179778256.2 85899095.67 2-Hydroxyhippuric acid 0 0 0 0 1115607397 0 0 0 1571160243 1044185124 7860454984 5013826851 6297718377 1061343420 2615707215 1805053463 6809873662 1710404901 847354265.4 0 0 6401431373 5658635066 1910536988 0 0 936392821.5 0 0 1459013881 1105702494 1874042439 0 1791148564 1130459665 2303700987 1366030138 2076102712 0 0 2192452637 193731519.5 0 0 0 3193418727 0 0 0 2039275100 0 2328581847 0 1411874699 524699396.4 1688570737 366740101.5 1245247481 56627872.86 413433649.3 0 0 0 829294930.9 0 0 0 0 0 805655543.6 2967429319 2-Hydroxyisovaleric acid 55471635725 97781971605 1.56E+11 57973455645 92121477240 1.22E+11 76564191354 69429499726 76002626268 76192830579 58880710611 1.48E+11 67629692721 60238897959 1.13E+11 62134475699 58718494647 88027795216 72732732820 57649416761 68516773145 97032265406 95719051970 84673226552 1.00E+11 62757345729 69315062812 0 78376743656 1.21E+11 64819043991 80677187474 90008558698 74015348294 79517150685 1.16E+11 92941280632 1.22E+11 71130565746 1.11E+11 74042585765 1.00E+11 2.07E+11 97590520074 71806014803 91994000526 95687330597 68640855636 1.06E+11 91861248996 59736133268 59732735047 1.49E+11 89861251566 1.01E+11 1.41E+11 1.40E+11 1.80E+11 1.68E+11 1.03E+11 1.76E+11 2.03E+11 1.33E+11 1.32E+11 2.01E+11 70047419233 1.32E+11 1.23E+11 97797529165 72486265339 75442199905 2-Hydroxyphenylacetic acid 32686854134 21380890123 21670403930 28301002688 29563155050 26277646060 32285571935 26665140668 27001669878 37041596694 21009347803 26118606650 26007788186 33222809993 25553624925 27352235115 24568715203 23831862894 22278795024 25352097395 20471314531 30158668067 27914847516 28363044914 24543958599 22385801389 21580713858 26366013010 21116970753 25646890616 22734219048 25343899876 27529274280 29846638241 26737493151 36495954161 25587804842 22735880855 31296019654 28510112421 26076696877 24278836756 28109878538 24195904476 24360718224 32295612835 31325548987 32348224875 19025089118 41646443106 22425984436 31355296957 34409198408 24053363855 21610360161 22710944056 19779902200 27177777486 27664341320 19331887836 25331913219 22158804979 28112110553 28878039631 28795870201 27770015127 22098146599 20557767283 26040402706 34067666846 24398595907 2-Isopropylmalic acid 373808112.3 374494444.4 0 250389784.9 238309388.3 154161684.8 0 135857690.2 0 202603305.8 225676848.9 192931618.6 330834128.9 156498240.7 107118664.3 0 0 0 0 0 421397915.4 184621848.7 71905197.03 0 174386411.9 33185941.97 263966600.2 137487424.1 280182795.7 208936701.8 130884353.7 150943963.7 0 0 51511415.53 0 160764822.1 108268282.7 0 61694736.84 0 101609342.9 154105542.5 259261190.6 55001020.93 0 138573070.6 246256524.2 45366791.74 47726238.29 66196498.05 275356768.1 311417506.6 0 2370002012 0 0 0 241722249.4 201822274.9 310953687.1 101622029.4 149493969.8 340256221.2 395442870.2 467649378.7 0 288089094.4 0 253120559.7 319129938.1 2-Methyl citrate 2336385335 16466780864 9023726528 4479996640 7085994310 20367927989 4359841247 2290014778 14594830629 7166342149 2780943194 10561665621 8035388425 3506004222 24410031604 6602197448 3074752320 8063605018 8583081754 5275340317 5136378296 8465102241 9812839520 5538276750 3555820064 3744850020 4564748754 4088828274 3198176344 5696024986 2770117914 6147348166 3902314835 6746726212 6140557078 4385767278 2191188735 5418608874 3540191858 9205287579 5002306196 8477563142 16983185731 3601407014 5663835630 5904140452 5470117679 7602830650 6359926360 8225656627 7587305934 7203036726 12478206366 4853031325 6541771831 8160563206 2805543824 4386208936 6869494866 6405369273 8431570594 7773622029 5522101005 14089778341 4636783821 2685747704 10708570025 9644989289 10081566496 4338166846 5258687292 2-Methyl-3-Hydroxybutyric acid 56839912637 1.03E+11 1.51E+11 63319812500 94624389758 1.21E+11 76643839121 66964559387 73516252535 78247430579 60908062165 1.44E+11 66636646181 64857990148 1.07E+11 60037902795 59607870807 88433995333 72901281991 57098418460 68225198038 1.05E+11 98233002284 86667278071 1.07E+11 63786943196 70973437188 0 83718079140 1.31E+11 64550684354 78451121961 92754022946 83022938061 80821252664 1.33E+11 90015305336 1.25E+11 73789909686 1.13E+11 78287527394 1.06E+11 2.24E+11 96622027227 71968189382 94145369805 1.01E+11 73131626319 1.11E+11 1.04E+11 59967426070 59217157922 1.49E+11 91855886265 1.06E+11 1.63E+11 2.01E+11 1.81E+11 1.73E+11 1.03E+11 1.70E+11 2.08E+11 1.39E+11 1.34E+11 2.00E+11 70188446245 1.40E+11 1.32E+11 1.04E+11 75180540904 81929274631 2-Methylbenzoic acid 1156350234 417729012.3 245712882.1 1051485887 251050497.9 182602581.5 932122608.1 254878489.3 209320486.8 296846281 302759914.3 261417189.5 227461813.8 1091118930 125757304.7 188830498.2 285338329.8 815700116.7 1263056280 356094564 406144696.5 348953081.2 211451741.9 1034086526 415420382.2 300691458.9 500479561.3 248722029.5 323876989.2 268313159.4 395558276.6 300590440.9 314217716.1 409632405.7 424303399.3 345054301.8 173155138.3 334909613.8 480921853.1 246466105.3 390275473.6 1232951745 313556603.8 1024996770 442249106.7 273022093.6 474522714.8 298949472.5 514675422.1 356544176.7 413833657.6 623696222.5 160323607.4 1168355181 454307847.1 473286175.4 211867343.5 474584756.9 366455256.7 344242101.1 1231047212 370067898.9 491195477.4 363187096.8 394018738.6 1163427877 401448163 1172211782 322713952.4 447363832.1 437108519.8 2-Methylhippuric acid 2360603744 1630841975 1577979258 1244720430 941729018.5 1720889946 1779466336 1148623974 986658722.1 1403978512 902930332.3 959592220.8 1661112172 1201957072 1275155635 1020447752 1162394004 949170361.7 1210220972 1052911665 796209687.3 1337724790 1471334666 2262949141 806691613.6 443142215 520188933.2 1260914571 566422795.7 1039106052 287075283.4 653834775.4 901586446.1 1037885548 858517503.8 1001765867 1274069664 837338126.5 771765091.2 851145684.2 493685611.9 1329725359 767982900.9 237018458.7 666566105.2 699866912.2 705803503 810473625.8 2284237336 1486546185 1481632296 1781361490 1131097613 967227469.9 954278873.2 1130589564 728053130.3 3587308804 2847501711 818887835.7 1497557554 1169325538 720678894.5 794103225.8 3142737660 1387962723 1486561659 1331143135 638868408.8 658224973.1 1319079010 2-Phosphoglycolate 37319812.79 14946913.58 196826419.2 2372542339 25862019.91 4050822011 162423104.2 0 0 0 13831189.71 10650564.62 0 18180858.55 13960047.7 9856622.114 638984296.9 0 0 0 12611281.42 13822829.13 29511136.49 0 0 19626072.74 15863908.28 0 0 0 0 21967449.53 16385805.76 20253590.66 16196347.03 0 1266836462 16257189.81 15222274.22 0 0 152359342.9 34623231.13 0 1296747320 765182535.5 125795840.2 0 52132270.17 2935002008 23332198.44 0 741456763.9 0 12394768.61 218102205.5 169423011.8 0 26000000 18313981.04 22175809.35 17470765.75 22819095.48 119224424 43406764.17 182873041.6 0 0 0 37597416.58 145633983.8 3,4-Dihydroxymandelic acid 7346333.853 7144444.444 0 0 10867709.82 17094429.35 0 0 277239858 9280991.736 0 77693851.94 0 13562280.08 0 9482381.531 15254104.21 7001750.292 54436611.37 328293318.2 18654813 0 240997715.6 6014531.044 0 0 11023429.71 7603209.02 0 12834536.37 9595464.853 0 0 0 0 0 8214426.877 16948233.36 0 6731789.474 14487455.2 20368583.16 0 11129672.36 0 0 0 318765130.5 13198405.25 0 422093385.2 0 0 0 14394768.61 11507261.97 0 0 0 0 9337679.856 6575631.837 10889447.24 45893548.39 0 22320907.62 0 16483933.79 83743817.08 0 9612089.481 3-Hydroxymethylglutaric acid 30601103744 29286009877 26258150655 14222340726 21223131579 31505444293 16445031892 22831873563 18097988337 14833738017 12293666131 14999361355 19759018496 12121627023 21777778772 20673331106 20628732334 11767687865 22763691943 15306020951 13413551196 15577703081 18419127356 19382824967 36621511146 10642454434 11418082253 17934013010 11591187957 13683342587 10068239002 11673478780 16398104055 13341452424 14293732623 13658195346 15822786561 18255798274 12726046327 11284661895 11687069124 16380978439 25609254717 33860206737 14698827973 16504241978 25557751505 16579342032 27443176829 16342511379 24331598735 15598297482 17308638196 15134228916 10807311469 16838103819 28269947547 17986216820 13572116381 10998863349 19321262140 44412447756 25491573367 24504473733 29565515082 15512793625 22859230993 15356435248 23108081195 13161522067 21637482151 3-Hydroxyphenylacetic acid 4517429017 1748600000 2894295306 2057907930 2055987909 7774713995 5356802977 5179474548 7117729716 5916696694 2670908360 5478382058 3653677804 3376059113 3184166965 3951594168 3355320485 3816874562 3446077607 4434245753 4612749234 3198082633 5094694460 7225992734 6395867834 3647854924 5332895314 6219932784 5071158710 3529318712 5056429478 2942081994 4175124333 4722408887 10025393709 5305330042 4017357213 5088048069 5072864296 4975345684 3197381464 18265686345 7585633844 14115150900 7467490556 4198035771 6670953476 8087245419 5934576923 15738165997 4442509728 7141613326 8049768700 4771522892 5306522334 5521592792 15652883926 8522974157 5234295355 2387787125 11739064299 5869454923 10175837688 5714742396 4468201097 4042470016 3928885777 9883589581 4572076062 7406455867 6817120419 3-Methyladipic acid 55406396.26 755061111.1 0 117274193.5 0 0 65655563.43 85586754.24 169559837.7 206899173.6 80349946.41 0 45755966.59 367992962.7 0 0 431587437.5 147561260.2 0 208422989.8 236041692.2 96039915.97 0 241359313.1 3825040340 152935022.5 488926719.8 477264093.7 221399569.9 57593003.89 124150113.4 65712402.14 182741728.9 212169658.9 106737189.2 135299012.7 53782114.62 94178307.31 540541881.1 47414736.84 58970302.1 92912731.01 0 48623904.01 151385400.7 232799053.1 94501368.36 150343697.9 57020168.86 179301874.2 96137159.53 90702518.36 86760742.71 54267469.88 69038229.38 94373856.91 0 97091546.21 320848899.8 71483807.27 174524280.6 50521689.93 89078391.96 0 150919561.2 0 145188432.2 0 290614092.4 38318622.17 0 4-Hydroxybenzoic acid 3.50E+11 3.48E+11 2.15E+11 2.50E+11 3.69E+11 3.33E+11 2.13E+11 3.17E+11 2.55E+11 3.29E+11 2.11E+11 2.47E+11 3.37E+11 4.25E+11 1.27E+11 2.19E+11 1.78E+11 89830391482 1.90E+11 1.89E+11 2.33E+11 2.22E+11 1.86E+11 3.20E+11 1.64E+11 2.23E+11 1.51E+11 2.74E+11 2.53E+11 1.30E+11 1.67E+11 1.31E+11 1.55E+11 1.53E+11 1.27E+11 89638501410 1.63E+11 1.56E+11 2.46E+11 1.69E+11 1.74E+11 1.09E+11 2.08E+11 2.48E+11 3.46E+11 1.44E+11 4.68E+11 3.37E+11 1.34E+11 3.12E+11 1.52E+11 4.09E+11 3.42E+11 1.95E+11 1.78E+11 1.10E+11 2967471743 2.18E+11 6.18E+11 3.24E+11 3.16E+11 1.34E+11 1.31E+11 1.57E+11 1.77E+11 3.86E+11 2.22E+11 2.03E+11 2.40E+11 2.97E+11 2.53E+11 4-Hydroxyphenylacetic acid 5044166927 2506889506 3913396288 2861489919 2848539829 9068847147 6248524451 5963406130 7939177485 7109043802 2123442122 5883704517 4456969570 4262905700 4061941562 5366464763 3980494647 4528670362 4145448460 4673892978 5840759657 3331394258 5094694460 9462145310 7071598195 4086984879 6267534895 6760137034 5887331613 4306441421 5142102494 3432491553 4877965315 5737795332 11212119229 5350453456 4291498518 5652195152 5590864764 5493851789 3891268305 20123072382 8775250000 16190970005 7940044921 4600120463 7560469075 9666133815 6830264071 17860271084 5541250486 0 9853668435 4906709398 5761029779 5762291017 16604964467 9257401226 6815372127 3499022512 13647375000 7062037722 11405189447 7319440092 6511881170 5176327391 5030927246 10858287731 5287103126 9297990850 7621449310 4-Hydroxyphenyllactic acid 45315655226 1.51E+11 5.86E+11 83462778898 85225222617 1.82E+11 85469049610 2.14E+11 1.98E+11 72278532231 2.52E+11 99758294856 3.53E+11 1.08E+11 2.01E+11 1.39E+11 71843789436 79916970828 1.84E+11 1.08E+11 96232172900 88660995098 1.06E+11 1.05E+11 1.56E+11 1.07E+11 51165040379 1.06E+11 99459118280 78418322043 61552334694 60379956737 73349672359 83156485189 1.18E+11 59728734133 63566666502 1.14E+11 81329353767 1.16E+11 1.03E+11 2.45E+11 2.43E+11 1.63E+11 1.62E+11 1.22E+11 1.13E+11 1.22E+11 3.43E+11 82404992637 1.49E+11 1.31E+11 2.19E+11 1.18E+11 1.60E+11 64800167294 1.66E+11 2.73E+11 2.07E+11 1.62E+11 2.54E+11 1.80E+11 1.57E+11 1.36E+11 1.64E+11 1.19E+11 2.12E+11 95830466894 1.62E+11 1.45E+11 2.27E+11 4-Methylbenzoic acid 78475570203 59344440123 50332015284 0 63296448791 0 0 0 0 0 49927138264 0 0 0 0 0 0 61302042007 60728860782 60484852775 57540679338 64440030112 57916833238 64281034346 58203349257 50525941970 60338281157 50554726800 48741459785 60341531927 52606064399 51747046148 61954544824 55092576302 61196678843 77106240480 56861105731 51818281430 55489358914 55690088000 61606009729 61862944559 73719192807 63085105676 66159235324 63293115203 73986363985 70588491394 57384908537 82470798527 59315520914 61189772823 64260216446 52378786024 46778629376 60336564820 39448898477 52378348664 63841066504 48367211295 55311455935 44544798567 58702015578 53696712442 55826992230 66463095084 44582971990 61033426972 60948249183 73076833154 58517552594 4-Phospho-D-erythronate 14341653.67 18688271.6 7572052.402 184068548.4 8239687.055 61500000 6564138.909 5602079.912 9368154.158 0 0 0 9983890.215 24144968.33 7818127.609 5587484.812 31869379.01 43899649.94 41431872.04 16614949.04 0 26440476.19 30296973.16 19536988.11 0 0 0 10558976.58 20594838.71 14153248.2 0 0 0 0 16858447.49 0 15428853.75 8223911.257 12070191.86 0 98892985.15 0 19894457.55 0 0 14607048.92 0 19184897.28 16968105.07 18100401.61 0 16200419.73 13741644.56 0 0 0 0 0 10319315.4 18629936.81 0 0 0 18845161.29 11266910.42 0 7681338.669 0 13103593.09 0 0 5-Dehydroquinic acid 21599656786 35074780247 28364664847 21108287634 9500735420 83085516984 12837287030 30328484948 45019268763 18181249587 13704308146 17683692597 27671019690 15782724138 43008132379 43396970231 16317563883 25099880980 27256081161 14196716874 21799337830 19536089636 10476665334 26907780713 37642933652 15837626073 15512096211 39452737641 11080058065 14373553026 13706858503 20406517511 15086267876 25413434919 16717193810 8099229196 17477736660 21771271980 22649195601 15300764632 13021617512 27251336242 24837787146 83011447623 24988377233 28123836402 29458604817 27622470850 40838057223 16426206827 27711692121 28839366737 36718109284 26068151325 16773008853 21333306616 51987319459 41280218572 26210047922 13468033570 32014326888 28767625802 19725616080 83132054378 9802380713 22070683955 44442186613 53850569133 24007910406 46273227126 23714646835 5-Keto-gluconate 5330514821 38995874691 2.31E+11 9288168683 9493753912 22828156250 8880554217 22351602627 13207718560 5032811570 3.60E+11 32830836888 35534378282 11190858550 13376316637 16744473269 4646766595 4562909568 4686195498 5654699887 5727896996 3748445378 14556260423 8323249670 5680950637 63416019.62 2444616152 6942273200 3406150538 4578081066 2444076190 2789574372 4040462647 4567438510 3717939625 5662651622 3768145257 4988514380 3384919045 3458041684 8083113159 8276703285 9502658608 21417445778 4000396120 4779807996 14121806240 6541649084 23131627111 14026434404 7716030156 11122883526 12731204244 3431781205 4067016499 5761775148 9996537733 23474620237 8777173105 8594522907 34946463129 26635301018 7815630151 15370830415 12576588208 14644512696 7440981084 7068711782 8836816146 18660600646 12688250357 Acetyl-glycine 1.44E+11 1.59E+11 79136692686 1.23E+11 1.50E+11 99482083560 71528834160 94552249042 63265421907 1.20E+11 95331636656 1.02E+11 77445889618 1.12E+11 1.58E+11 1.26E+11 0 71883539673 85109190758 1.30E+11 1.21E+11 1.24E+11 1.30E+11 2.10E+11 1.00E+11 89043090723 87554726321 1.14E+11 77899995699 1.60E+11 80297728798 64648273177 2.76E+11 44835877020 1.15E+11 1.15E+11 75993912055 70669200493 70580597567 1.22E+11 1.06E+11 2.28E+11 1.76E+11 1.02E+11 79468387443 1.22E+11 94642827586 75451751249 1.66E+11 74249001339 70084231518 97251853620 82718319894 85313860241 1.17E+11 84231998924 20742873773 1.01E+11 98123117848 96894849131 93786672212 80151445492 88667569347 86311987558 84311179159 60964409508 86564140778 1.26E+11 81921174522 67515273412 70200862446 Adipic acid 6.51E+11 6.44E+11 3.49E+11 1.01E+12 4.68E+11 2.40E+11 4.92E+11 5.54E+11 5.79E+11 1.04E+12 2.87E+11 5.85E+11 6.16E+11 8.37E+11 4.70E+11 5.87E+11 4.40E+11 6.11E+11 7.32E+11 6.09E+11 9.48E+11 8.01E+11 1.05E+12 2.76E+11 8.71E+11 4.50E+11 9.09E+11 1.06E+12 6.59E+11 3.48E+11 6.16E+11 3.94E+11 7.55E+11 4.05E+11 7.80E+11 4.25E+11 5.88E+11 4.31E+11 1.00E+12 7.29E+11 7.29E+11 5.35E+11 4.72E+11 4.90E+11 7.24E+11 4.91E+11 6.36E+11 4.94E+11 3.01E+11 6.29E+11 8.43E+11 4.37E+11 4.85E+11 3.85E+11 4.54E+11 5.95E+11 5.44E+11 4.01E+11 3.88E+11 4.14E+11 5.12E+11 4.08E+11 7.21E+11 3.78E+11 5.50E+11 8.20E+11 5.53E+11 7.42E+11 7.58E+11 4.96E+11 3.03E+11 Asp-Asp-Gly 77238689.55 129824691.4 334165938.9 89228494.62 151438122.3 1156242527 106931254.4 301415435.1 257742900.6 226235537.2 158378349.4 348387076.5 239400358 66261083.74 522972570.1 322707776.4 85947894.36 128243290.5 70572867.3 103827293.3 88363580.63 186876750.7 118201599.1 222016512.5 290055201.7 39684102.98 59423728.81 43564180.4 66763440.86 54615769.02 81719274.38 129606098.1 43310032.02 105877468.6 140890918.3 26101551.48 67052371.54 71734593.26 64853532.99 111306105.3 34377368.15 199164271 184499410.4 1263885556 51216436.96 50492898.47 143857142.9 150204330.9 194080675.4 29694109.77 139026264.6 157031479.5 166827586.2 67501204.82 58511871.23 35899408.28 222436548.2 57515111.7 67536919.32 46830173.78 145528327.3 352777819.7 134672864.3 430513824.9 17322669.1 52503511.62 386630774.8 112664070.1 105959869.3 85664693.22 105589243.2 Asp-Asp-Ser 26173166.93 21254938.27 0 16368279.57 0 39031250 0 34376026.27 8172413.793 19072727.27 9296355.841 45578419.07 8251193.317 13306826.18 6269528.921 0 7043540.328 24857642.94 0 0 0 8971288.515 30122215.88 25349405.55 8437898.089 0 0 7724631.396 10203010.75 0 0 6816646.065 0 0 0 0 18305335.97 8053410.025 0 7584421.053 0 0 0 19039686.2 0 0 12610290.09 0 0 0 0 0 0 0 0 0 0 0 0 7534360.19 0 0 0 8460829.493 0 0 16157875.59 8392891.918 0 0 0 Azelaic acid 35781562402 43361651852 28630985808 29003877016 33077079659 32588120924 39788316797 42048943076 23625563895 32267466942 17019404609 38466702008 48385526253 41065510204 33050363148 49293305589 30237508922 35230847725 34980083531 34254825595 50321057633 41978548319 57258800685 56109825627 50014319002 24583588067 24357135095 33212547268 38205297204 49027180455 28777893878 30167953440 27450423693 55045988330 33395883815 39991247532 44590525692 29110679540 29591927000 27038404632 29278431644 36036020021 54153550708 28941794186 28755531394 35044410836 28684505200 86350605775 37038141182 54305404953 33743433852 52224291186 37478593103 35475612048 44516739235 39916745562 5.62E+12 36222017083 31601670905 23140236572 42136119604 27116115805 41855409045 31445130876 39057579982 51004725554 42520473263 40472145083 24364235651 36091493003 37917122323 Benzoic acid 85127337754 61699469753 69492600437 61757649866 79372185633 81179084239 1.13E+11 63089792556 52934067444 91226560331 66921755627 81739687578 99237523270 78751479944 69141699463 89324085662 98069905782 54450757876 67358172393 79174938845 99569396689 66750704482 87374394061 1.19E+11 59326804140 72760807111 1.27E+11 2.07E+11 1.39E+11 96066302054 79664160998 61094867738 74914488794 1.25E+11 75166067478 90751313822 85596402174 98442050534 1.16E+11 89599923368 1.04E+11 46720138090 48570139741 57571826488 93409623788 61337952656 1.05E+11 1.27E+11 1.59E+11 1.11E+11 1.35E+11 2.89E+11 1.31E+11 1.05E+11 98703879678 93384545455 45317019966 58665710031 80069103667 50848960111 98792521583 76352898152 72830583920 67958136866 71305369287 67652286332 1.12E+11 1.14E+11 99854296780 88599623789 93596797239 cyclic FMN 40971918.88 210136419.8 94063864.63 13745967.74 7496443.812 76289402.17 18593196.31 150726874.7 113095334.7 0 324224008.6 13448557.09 35821599.05 46540464.46 107955277.3 72697448.36 52114917.92 59347724.62 63441350.71 51844847.11 54701410.18 28691876.75 160908052.5 166939233.8 11886411.89 38872905.6 23869391.82 7803555.941 47102795.7 46963353.69 10221768.71 53198599.09 28423159.02 14977558.35 17537290.72 0 0 19202958.09 34399157.7 6818947.368 11045570.92 75553388.09 33882075.47 129412090.4 13466564.57 26081009.99 0 14382565.24 32282363.98 0 115780155.6 18726652.68 10771883.29 14845301.2 37404426.56 0 0 25579062.64 18527628.36 18067930.49 38842176.26 30214635.99 12443718.59 0 0 0 9929428.883 61370983.45 9546430.238 11068891.28 0 Deoxyuridine 2109380655 2180425926 2784978166 3050051075 3663790896 12896739.13 1668828490 1120045430 1716549189 1075500826 722659699.9 2962540151 903202267.3 1533337087 1507842576 959233292.8 2057593862 2947163361 1137253555 2906054360 598893930.1 685237395 1164479726 2741991413 1575768047 2408543931 968831007 1261849089 56671827.96 970836757.4 835770521.5 732014009.1 678347385.3 333611310.6 504500761 888425246.8 250984683.8 362438373 753246139.4 856996631.6 770136200.7 972820328.5 184852594.3 1115179511 60271056.66 0 0 0 13434333.96 19523427.04 1162188716 219735047.2 0 288174939.8 591529175.1 9173749.328 1725736717 57033727.55 713253789.7 275503159.6 296906025.2 580565447 191576884.4 832016129 0 120334413.8 345508548.6 0 160856276.2 0 30070442.65 D-Glucarate 89725458658 59760420988 88442965066 76294442204 18134911095 2.47E+11 2.01E+11 1.63E+11 85640672414 1.53E+11 1.06E+11 56702031995 55127233294 37932111893 70543654741 97227743013 1.86E+11 1.30E+11 2.16E+11 1.02E+11 79393616800 1.10E+11 1.51E+11 1.31E+11 1.95E+11 1.17E+11 49763318046 94611446661 83594451613 67116605775 99094530159 62561284302 1.30E+11 2.71E+11 50947656012 88830169958 1.52E+11 1.30E+11 2.74E+11 1.42E+11 1.30E+11 49959679671 73646945755 2.85E+11 1.61E+11 1.06E+11 1.20E+11 97557210994 97593450750 2.21E+11 1.67E+11 1.73E+11 93650215915 1.21E+11 76084696982 93479869822 1.74E+11 79087258432 74576945721 1.07E+11 51278290018 78414044134 1.21E+11 2.91E+11 51814335466 51420541329 1.02E+11 2.75E+11 67633218385 1.41E+11 79208046644 D-Glucopyranuronate 1.37E+11 4.50E+11 4.09E+12 1.74E+11 2.35E+11 1.30E+12 2.49E+11 6.47E+11 4.05E+11 1.83E+11 5.05E+12 6.70E+11 9.33E+11 2.36E+11 3.81E+11 3.44E+11 1.51E+11 1.97E+11 2.14E+11 1.65E+11 1.96E+11 1.81E+11 3.97E+11 2.35E+11 1.69E+11 97563324888 83923829013 2.00E+11 1.15E+11 0 87813023129 1.35E+11 1.39E+11 1.82E+11 0 1.91E+11 1.42E+11 1.75E+11 1.12E+11 1.22E+11 1.11E+11 2.65E+11 4.18E+11 1.05E+12 1.29E+11 1.83E+11 5.77E+11 1.56E+11 6.20E+11 1.66E+11 2.68E+11 2.82E+11 4.66E+11 1.77E+11 4.65E+11 1.79E+11 3.65E+11 1.05E+12 4.48E+11 3.70E+11 8.97E+11 9.98E+11 2.25E+11 8.42E+11 3.82E+11 3.50E+11 1.91E+11 2.06E+11 3.00E+11 0 3.51E+11 Dihydrooroticacid 0 0 0 0 0 0 0 0 0 11341322.31 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 47084128.36 0 0 0 4149567.367 0 0 0 0 0 0 4467477.773 0 0 118083162.2 74686320.75 0 0 0 10843088670 0 0 0 0 0 115786206.9 0 1012571429 0 0 1032660096 667096332.5 2517364929 0 0 0 0 0 6796326.31 9063659.513 0 0 0 1718508805 Erythose 91320792512 2.24E+11 7.37E+11 1.46E+11 2.48E+11 5.46E+11 2.15E+11 1.27E+11 1.95E+11 2.04E+11 3.86E+11 80921468632 1.78E+11 61431394792 4.20E+11 1.06E+11 1.38E+11 1.04E+11 1.32E+11 1.08E+11 1.20E+11 2.07E+11 1.11E+11 2.11E+11 4.15E+11 1.34E+11 1.40E+11 3.17E+11 3.06E+11 3.04E+11 92837653515 2.44E+11 2.11E+11 2.87E+11 2.15E+11 1.65E+11 2.04E+11 2.59E+11 1.24E+11 3.65E+11 2.03E+11 2.72E+11 2.62E+11 4.88E+11 2.30E+11 2.86E+11 1.72E+11 2.29E+11 2.95E+11 2.32E+11 3.02E+11 1.85E+11 3.92E+11 1.53E+11 1.31E+11 1.60E+11 5.19E+11 5.04E+11 4.18E+11 1.35E+11 3.17E+11 3.24E+11 4.13E+11 3.32E+11 2.78E+11 72185656942 2.50E+11 1.56E+11 1.24E+11 2.50E+11 2.38E+11 Ferulic acid 0 86886419.75 755458515.3 89672043.01 372493598.9 0 0 251042692.9 779784989.9 321153719 164144158.6 0 170635441.5 321822660.1 0 0 577298358.3 205802800.5 0 0 343922133.7 483012605 118206167.9 145760237.8 324620488.3 157998774 169436689.9 374415004.3 291383225.8 0 596236734.7 107807993.4 984306296.7 703420556.6 1089646372 145145980.3 68602272.73 436131060 308276555.9 204434526.3 0 185977926.1 187988207.5 0 147235834.6 210142556.5 50578544.06 0 247152439 33844042.84 0 140450682.1 313554376.7 597758554.2 138293360.2 258708983.3 300613874.8 855526062.2 794738875.3 555823459.7 102943345.3 518069030.6 75758793.97 234603686.6 336716179.2 308976229.1 296599490.7 313955209.3 74231451.24 129656620 385294621.6 Caproic acid 56403246490 44609149383 33010092249 43595474462 51527206970 39182904891 48903170092 39424197044 33411037525 54301725620 33581412111 42679779172 38384963604 56125084448 32881082290 51785334751 52122454675 37095411319 42647433057 38195185730 49831705702 45158006303 43806587664 51802475561 43256691083 40006707805 47867843968 42146194276 37860651183 41282104386 39216760998 35120560363 40089405016 42775719031 36453732623 53856643159 43570660079 37981838537 36597809078 39978715368 42200255504 41103882444 44179589623 37187873096 36767416539 41252518148 40855185550 36013232093 30281138837 42172795850 32583836089 39558459601 33695176127 43814312289 44475321932 54063548682 65674120135 33538394656 48360934963 36138751975 35815769335 31062588834 43314521608 41584611521 40307552102 45934394381 34359046926 35135977118 38299129725 37569836383 36697620181 Enanthic acid 28314322153 24546581481 17245961790 20954037634 25193289474 22930607337 27580013466 23459562671 21832853448 32641655372 22188055198 34442714555 30685788783 27624261084 23810734645 23801841434 22641154176 26123018670 26780932464 22952639298 27397985898 24040060924 26448926899 32492710040 24973798301 23778623621 23907399302 31067897658 21624927312 29936566907 19089555556 20217130614 24137351654 27652706014 23319172501 32702196756 20402901680 21017805259 21205657464 22129376842 21126649258 21950112936 26751566627 20087624827 19897342011 22113815360 27952081007 25261445308 17416450281 27275459170 23791831712 32284332109 25739590981 24856133494 21086472435 22203465842 78186406091 21815503285 22700257213 19082577804 19671658273 16991156922 21256907035 26096727650 24167585923 24127776877 18393934885 19375796008 22409234251 20573954790 21308096621 Formyl-L-methionine 7951609204 7719800000 21103306769 6737389113 9865516358 15867270380 6588711552 12680769568 9975908215 9523478512 5741477492 12162244668 18784622912 4788596059 20303020274 11400739368 8215144897 8904471412 11871687796 9090415629 6338169834 13834726190 10157362079 11424820343 6748450637 6129425828 6610517946 9022778404 2833665806 8808716269 5336703855 6382321384 6835083778 6492234291 11043928463 5902190409 5446479249 6809329499 4832663079 9091048842 8229131592 16260320842 11945155071 21828384864 10181773864 9822159916 9296586207 7171900611 13096695591 8162726238 9404215953 8269167366 6656152785 4762907952 8251914286 6561842926 8665905922 9116189663 7241610269 6390353870 8879967176 9689908714 8018336683 14620197235 7369534735 7092217180 9991222626 8770215677 11328335978 7876175996 10000935745 gamma-Glu-Cys 1234540562 2479957407 7249000546 3146757392 24401137.98 1229902174 1794422395 5386026820 1514893509 1125614050 3149569668 3664528231 4591401551 1575286418 5929121646 6727360267 1374062812 5259810385 2418960900 1690245753 2806068670 4543292017 995275842.4 4939356011 2143346603 2554395178 1471309073 1502723330 671290322.6 3139655192 1133569161 483354346.9 2237251334 968045332.1 2249903602 1192407616 644113142.3 488660230.1 1137729995 2952007579 1329623656 5104690965 6816037.736 5735110752 2049745789 6067821673 1488325670 2591220433 6799983583 374708166 1312881323 3119524134 6389137931 2214885301 3113029376 1395880581 3043719797 1788652212 1323092910 958095181.7 4614479766 11123717465 3003881407 3193777880 753622486.3 1763131280 2633839214 1319844206 2921874008 1563226050 5806730129 Gentisic acid 415308892.4 549008642 132591703.1 228984543 233577524.9 312003396.7 284405386.3 486932129.2 312011663.3 373343801.7 0 0 1664871122 367995777.6 777338103.8 1139843256 1698189151 1591014586 1846472156 0 425497854.1 1023274510 3312779555 0 221553078.6 425617490.8 561263708.9 388734171.7 2281923441 5695075514 630154195 263840543.9 6280537353 885946588.9 661116184.7 2429515515 644641798.4 644085866.9 4037341132 436050526.3 662081413.2 146306468.2 4725236439 1740990771 310513016.8 3265933719 1545876847 0 280129925 879170682.7 0 1307791710 1549541114 736344096.4 246216901.4 70168370.09 134344839.3 911778361.8 389589731.1 277301342.8 153074190.6 479900037.7 1385884422 1278346544 597404936 353941112.9 308634776.3 199901168.5 1027391507 2343309473 353826749.2 Glu-Asp 1806821373 1437782099 1847641921 2181301747 1300493599 4571483696 1774912119 2041656267 2711106491 2261790083 1570676313 3467058344 3814733294 3249234342 2107047108 2523859660 1355867951 1542214119 1359488152 1824003398 2132912324 1490305322 1059314677 2200152576 2372452760 1652128729 1406771186 1809431917 1000784516 947911715.7 1556956009 1803674083 841372465.3 1200149461 1790606799 493687588.2 1019510375 1023092030 1214346748 1380976421 752220686.1 2344293634 2683365566 5974369635 1532284329 1614719621 1518270936 2373796780 2189313790 1254141232 1771082198 2424395593 2229089655 1158427952 1852254326 1250118343 1508516413 1212741568 1735143765 1354738547 2491596673 2020786496 1861576884 2802676037 1432357861 2466524041 2228423427 2453458130 1614960803 1730656082 2031901951 Glutaconic acid 12083962559 22707724691 24766728166 13629002688 17111922475 28132616168 17095209780 40386009305 17244254057 17667848760 27169290461 16483306148 20162662291 14671993666 18800098390 15786054070 15211532477 10561512252 38253723341 17799021518 13192515021 13638125350 22982969160 16985780713 16521559979 9499167552 12418385344 15248422810 10990584946 10740287618 10571601361 10732666667 11287924760 16836002244 10387497210 9766014104 13396723814 11290713229 14614062237 12091432421 12917993856 30235767454 20538451651 23839803415 14757034712 11950480800 21602178435 15813549139 16526586304 17990233601 21304584630 17448002099 15755585146 15103684337 11380266398 14327544917 1.17E+11 12693635129 12928185330 10315199052 14171295414 14700981139 15934625126 20000368203 13842871115 16329887088 15445730084 16130720058 21673692954 16425888590 20626632080 Glutaric acid 17659035101 45686366667 26067875000 26938637097 66482454481 37604135870 22245654146 49223294472 26044883874 83731027273 34775908360 27496203262 46413527446 17544347643 58355246869 44283993925 21243197716 27358122520 24772427133 17647038505 20436996321 26108000700 24766370645 34571745707 53310450106 16735304454 24236377866 56367166956 14332849462 39991163243 32233790476 20238903173 26172190502 21757013016 32958366819 22835918195 20725230731 21300328677 27958201217 18951641263 20389027650 18054282341 29930429835 20116268574 17199075549 40409099421 19183890531 25996021099 27800856942 27013660643 26961450389 24325000000 25336324668 22922090120 33524627767 25627968800 3.04E+11 23427860710 19041922738 14048849526 20566358813 23418882686 18539506030 32475181567 22366830439 15550445165 23486749727 19018722493 30686927671 15924031755 21688072822 Homovanillic acid 33581748830 1.04E+11 4.01E+11 58156572581 57681187767 1.25E+11 57924525868 1.48E+11 1.35E+11 50272912397 1.74E+11 69117168758 2.39E+11 74884688951 1.42E+11 96172487849 49983206281 56513968495 1.26E+11 74308942809 66806434703 66275125350 73199161622 78137313078 1.07E+11 73879631385 36073621137 79448911969 67989418495 58785228207 42685081633 41112845488 50702216115 57353761670 86711339422 41373681946 47759898221 78250774856 56638294806 80726394947 69883679980 1.71E+11 1.78E+11 1.13E+11 1.13E+11 82778820095 78419856048 87814940033 2.33E+11 56606362115 1.10E+11 90419132214 1.51E+11 82141312289 1.12E+11 44793209252 1.16E+11 1.90E+11 1.44E+11 1.21E+11 1.76E+11 1.33E+11 1.17E+11 94516257143 1.15E+11 83333767153 1.47E+11 70788184031 1.12E+11 1.00E+11 1.68E+11 Ketoleucine (3-Methyl-2-oxovaleric acid) 3.24E+11 1.13E+12 5.50E+11 7.75E+11 8.54E+11 4.18E+11 1.10E+12 5.14E+11 8.40E+11 3.38E+11 5.06E+11 6.90E+11 1.16E+12 1.24E+12 6.38E+11 9.57E+11 8.36E+11 1.15E+12 9.46E+11 1.91E+12 1.10E+12 8.81E+11 7.06E+11 6.33E+11 6.78E+11 1.45E+12 6.59E+11 9.22E+11 1.20E+12 7.53E+11 1.00E+12 1.07E+12 8.85E+11 5.99E+11 1.03E+12 8.19E+11 9.98E+11 1.65E+12 8.87E+11 1.19E+12 8.74E+11 1.27E+12 8.06E+11 8.46E+11 1.27E+12 2.05E+12 1.28E+12 1.44E+12 2.08E+12 1.01E+12 1.67E+12 1.10E+12 1.72E+12 1.23E+12 1.25E+12 9.05E+11 7.78E+11 1.23E+12 7.86E+11 1.63E+12 9.52E+11 2.96E+12 1.84E+12 6.77E+11 2.33E+12 8.27E+11 2.22E+12 9.81E+11 1.43E+12 9.00E+11 2.50E+12 L-Ascorbic acid 2-sulfate 11707648206 12831476543 20968632096 14103256048 3197518492 38253150136 14974547130 22303251232 25971561359 11417662810 4471280279 16839790464 11627204057 7951898663 19232893262 21851416768 15806443969 15890354142 14444290877 15909960362 15352427345 12678651261 16639013135 12760161162 27104207537 10444302002 6183742273 9632743278 10969602581 8696645197 11274871202 13178632880 11867351121 27714208259 17024009132 8116968970 10896403656 10218404273 22649128217 15052283368 11855342038 8613340349 11416211675 87085536687 14749831547 10342650184 11149997263 10666661855 26155031895 13235177376 28573825875 12865386674 11854073740 7249571566 9737736016 10343047337 15854825042 6241791502 4915943276 9903431280 11582904227 11037782724 9313169849 34352313364 4898710695 8230944354 15897739542 20418883155 11993572095 11425277718 9487350309 Leucinic acid 57508262090 69669584568 1.58E+11 32107310484 92388129445 1.11E+11 69633641389 53402267652 79248062373 50035376860 52868697749 1.34E+11 1.16E+11 66273811400 2.32E+11 1.04E+11 53148184154 43047661610 1.37E+11 59206383352 44451649295 46192129552 51184569389 48130095773 52666468153 62678834900 45690078764 53259102342 72139336774 52867710716 39286781406 61264492789 44090229989 32639846050 54493930999 46913097320 59217006423 93574310600 41252238184 57640234526 64713227343 78701908624 1.06E+11 40166151361 84606285860 55238392425 59445870826 33464711827 1.22E+11 39452304552 50167057393 49693503673 63066847745 52334621687 51273995573 42663474987 53379148223 93628080596 90685605379 60313900869 90915345773 1.40E+11 1.09E+11 32420763134 1.54E+11 57660600756 1.00E+11 63792262902 78065123192 45073310549 90225361257 Levulinic acid 1974087363 2763811111 887134279.5 2172277554 1342386202 1578445652 2391546421 1512430761 766521298.2 1406789256 1420896570 3294774153 1320500597 559873328.6 1279061419 1100351154 1351788722 1463746208 2979015403 1181154020 1905009197 714596638.7 5190357510 2145776090 950948513.8 1954516960 1468734796 3561260624 1420492043 1351196557 518408616.8 1223426864 1700169157 2176350090 1262179604 1110679831 1087488636 1311809778 2443194197 1604826947 931164362.5 985316735.1 1129689858 1120704661 1644864216 771151499.2 1684086481 1831616324 1495912289 1016864793 3504868191 1282411857 2095788329 1402689639 686409255.5 1572077461 1688305245 2096547963 721926161.4 756021722 1274384442 900900037.7 1248335176 3154283410 677089122.5 971535386.3 1037460167 569861246.3 2400747084 756395048.4 319513089 L-Homocysteic acid 569167706.7 487299382.7 612379366.8 867440860.2 644628022.8 990478940.2 580123316.8 797359058.6 616733772.8 781005785.1 614315648.4 797373274.8 698477923.6 573725545.4 1061221825 783483596.6 909658101.4 585217036.2 557255924.2 659422423.6 541554261.2 713606442.6 644005711 660494055.5 487577494.7 500894156.1 403231306.1 409631396.4 189107096.8 326958911.7 577603174.6 559737536.1 329756136.6 580070466.8 417322171.5 265752468.3 417041502 329690221.9 409891436.6 512453052.6 415185867.9 384883983.6 354930424.5 1242652515 1192189893 484901104.7 559108374.4 571122709.6 477453095.7 440554886.2 652492217.9 571679433.4 373606366 365317108.4 451472434.6 509970952.1 480401692 235713972.8 213684107.6 267823064.8 220672661.9 488413806.1 529113567.8 702646543.8 295147623.4 579929767.7 565779556.2 487209347.6 367055529.6 293700215.3 269858638.7 L-Threonic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.24E+12 1.29E+12 0 0 7.67E+11 0 0 1.45E+12 1.00E+12 9.25E+11 9.97E+11 8.23E+11 8.31E+11 8.65E+11 6.79E+11 1.20E+12 1.83E+12 0 1.05E+12 7.85E+11 0 1.81E+12 1.37E+12 0 0 0 0 0 0 0 0 0 0 0 9.84E+11 0 8.54E+11 9.61E+11 7.36E+11 0 0 6.20E+11 0 0 0 0 0 0 4.25E+11 0 0 0 0 0 Maltitol/Lactitol 5305737129 6663821605 2288936681 9661997312 1965111664 7875577446 5838156627 10664703339 6767243408 5762742975 1483062701 3155893350 10606869332 2252682618 8968381038 6954767922 7083096360 6042481330 7003827607 3660536806 7094323728 8231480392 9173476299 6287627477 3191345011 4840961586 3525447657 6150311795 4530228817 5073253748 4345292517 7673411619 1564719851 6143449282 1237213597 5837959097 5807402174 5295773624 4301377164 8104706105 5886718382 4810781828 1760284198 21519230272 4148812149 3785766965 1298382594 7686265963 608088649.2 5212700803 3339821012 4585780168 3460662599 6929468916 3261709054 8262144164 6081415905 4787887429 4552977017 4012031201 6751265737 4620812524 10370930653 6778337327 5618689214 2370534846 10991586759 3191604674 3830391041 4145952637 920014278.9 Mandelic acid 429159906.4 479196913.6 865324781.7 582176747.3 767831436.7 0 470096385.5 0 384711967.5 873574380.2 432297963.6 0 0 0 0 648027946.5 527435403.3 0 352003554.5 0 662205395.5 579344537.8 350969731.6 679611624.8 603703821.7 0 504397806.6 0 637981505.4 0 546350113.4 0 0 140491472.2 482048198.9 649799717.9 634914031.6 949569022.2 0 293606736.8 319677419.4 0 0 883551915.1 963534966.8 587861651.8 0 0 0 1165016064 503222762.6 486518887.7 0 836214457.8 0 0 0 0 0 0 551410971.2 547270086.8 0 0 467493144.4 870546731.5 0 786172346.6 0 0 1049718705 Orthophosphate 8.06E+11 1.06E+12 6.76E+11 8.18E+11 8.27E+11 1.02E+12 1.89E+12 5.03E+11 8.79E+11 9.84E+11 5.42E+11 3.27E+11 9.51E+11 1.13E+12 7.47E+11 9.00E+11 1.01E+12 9.23E+11 2.07E+12 7.94E+11 1.07E+12 1.38E+12 1.45E+12 5.77E+11 7.45E+11 1.22E+12 1.08E+12 1.81E+12 2.16E+12 9.02E+11 1.47E+12 1.60E+12 1.58E+12 1.13E+12 1.44E+12 2.28E+12 1.50E+12 1.86E+12 9.28E+11 1.36E+12 1.10E+12 1.14E+12 1.54E+12 8.05E+11 1.41E+12 2.33E+12 2.04E+12 1.53E+12 1.56E+12 3.66E+12 9.84E+11 1.80E+12 1.60E+12 1.47E+12 1.20E+12 3.14E+12 1.94E+12 1.33E+12 6.37E+11 9.22E+11 8.46E+11 1.53E+12 2.03E+12 8.93E+11 1.68E+12 1.66E+12 1.84E+12 1.27E+12 1.59E+12 1.47E+12 1.28E+12 O-Succinyl-L-homoserine 89355694.23 1695572222 1036751638 1010952285 1634776671 2192322690 816165839.8 2823956760 2078346349 804877686 762106645.2 2081716437 1492238067 1415719916 2301864639 3120680437 2362060671 794376896.1 3803566351 1864045866 1240373391 1704192577 1133862935 2085094452 1061047240 612559869.2 817019940.2 996115351.3 934723871 749076068.9 759495238.1 921199423.2 159958377.8 1325932226 764235920.9 312027503.5 769757905.1 1383447412 1962324754 460233263.2 1230747056 1000214066 1262441038 3705531149 439196528.8 948403471.9 2486154899 1679507496 2684468105 59449129.85 1892014105 1775933368 647094960.2 1284253494 863277666 942046261.4 882570896.8 1566241349 1798320782 324611374.4 1119109712 2250888721 1148500503 2798766820 1532531536 1200702863 1534244816 2090205453 3367101727 50317545.75 1058961923 Phenylpyruvic acid 575294851.8 2371968519 8479366266 1037614247 1163839260 2666258152 1188611623 2974644226 2828337221 827593388.4 3827104502 1473965496 5220766110 1708864884 3063388790 2265372418 1083526053 1136293466 2692927133 1515652322 1567011036 1340563725 1535946887 1421347424 2382628450 1352711483 528327517.4 1708827840 1435581935 1052902277 990295691.6 793894520 942242262.5 1264388241 1837763064 875517630.5 933284090.9 1565202958 1208318671 1728601263 1445237583 3317643224 3490502948 2266815413 2153939255 1573516570 1580686371 1623449195 5077345216 1428105087 2255393482 2017268625 3270638727 1639612048 2217706640 681986551.9 2044609814 3322902760 2822688998 2413472749 3656951439 2331946435 2314528643 2043959908 2277715722 1676360886 3356822481 1263984421 2383134858 2052301938 3387282247 p-Toluenesulfonic acid 5075308112 3715937037 2715283843 2458394489 7801211238 5294051630 1.52E+11 4005823207 6987247465 3794779339 2991713826 7222856964 4725665871 3528906404 7635320811 4419061968 7285557459 8179774796 3765274289 3553607588 3773347639 3306542017 6223817247 8082996037 5939761146 2329617082 3505933200 2485866435 2535966882 6226364242 2832890703 2241480841 2604838847 2592019300 3853841705 4698940056 3151515316 5103082580 3001607394 2733802105 3645466974 2228191478 3303195165 2167817259 2689372129 2448428722 3100587302 2773268184 2227408537 3267287818 2948186770 3949373557 3354621751 6581288193 2396623742 2004409898 1750519459 2180349540 2364909046 1603811216 2156335881 1873046398 2285176382 2462283410 2008017824 2120963803 1697210986 2842764849 2132308913 2101162002 2191429795 Pyroglutamic acid 1.51E+12 1.36E+12 9.72E+11 2.69E+12 1.40E+12 1.55E+12 1.20E+12 1.03E+12 1.06E+12 1.88E+12 8.98E+11 1.25E+12 1.29E+12 8.35E+11 1.39E+12 1.11E+12 7.97E+11 6.26E+11 5.57E+11 5.87E+11 8.71E+11 6.70E+11 8.93E+11 1.85E+12 9.72E+11 7.44E+11 1.25E+12 1.71E+12 7.58E+11 2.46E+12 1.15E+12 7.97E+11 1.74E+12 1.39E+12 1.20E+12 8.22E+11 9.23E+11 7.85E+11 8.46E+11 1.22E+12 9.25E+11 7.37E+11 7.02E+11 1.04E+12 9.37E+11 5.39E+11 1.01E+12 6.97E+11 5.43E+11 7.58E+11 5.39E+11 9.41E+11 5.69E+11 8.24E+11 1.06E+12 9.87E+11 4.74E+11 6.78E+11 1.03E+12 6.51E+11 1.14E+12 8.27E+11 6.74E+11 6.90E+11 5.57E+11 4.91E+11 6.77E+11 5.78E+11 5.87E+11 9.63E+11 7.65E+11 Sebacic acid 4287808892 4813230864 4579050218 3570463710 5081110953 6611621603 5504845500 3743212917 2885851420 4662700000 2934230975 4858257215 3979675418 4316546798 4366186047 7789959903 4557283369 3610463244 3038628555 5658083239 4062633354 4213642157 4535085094 6401177675 4914427813 4858572538 3345218345 3701653946 2278983226 4230053304 2394993651 3374619283 4689463180 3001135099 3744218671 3435290550 4418171443 6289544782 3280679925 2801266947 3060630312 3564180698 4384478184 6335272266 3536269015 3508698580 5262536398 15996764020 4059879925 5637754351 3489719358 4449292760 2788380902 2348856867 2834800000 3546269500 2.10E+11 6350426194 5790956479 2735644155 4320036871 2297006790 6037215578 3950870046 10208930987 3931790924 5037461259 3688932327 3848178255 3465830463 4405279867 Glycerol 2-phosphate 3.04E+11 1.29E+11 69259024017 2.38E+11 1.32E+11 88433111413 3.46E+11 2.42E+11 3.77E+11 2.37E+11 93646960343 91245517566 2.20E+11 2.99E+11 1.78E+11 1.97E+11 2.16E+11 2.02E+11 3.36E+11 1.22E+11 94177591662 1.23E+11 1.68E+11 2.67E+11 1.01E+11 2.69E+11 2.57E+11 3.16E+11 1.26E+11 1.65E+11 2.96E+11 2.37E+11 1.98E+11 85584052962 2.08E+11 4.68E+11 1.07E+11 98124776089 91960442209 1.73E+11 1.74E+11 71866921458 83327418042 53336336410 1.66E+11 91964570226 1.77E+11 1.03E+11 1.38E+11 1.52E+11 1.03E+11 1.46E+11 66019639257 1.26E+11 1.58E+11 2.09E+11 59519507614 1.31E+11 1.31E+11 91320593997 70371016637 1.29E+11 1.46E+11 46014063594 82340693784 1.36E+11 1.07E+11 80734515093 52223860943 72053468784 1.22E+11 Succinic anhydride 14610905616 10064503086 13013096616 9261215726 11000906117 7816153533 7640115521 10636766284 8870359026 9927388430 14753397642 9929741531 11381761337 9083574243 5660453190 10346680437 11917877231 6993728705 6444676540 7633895243 11382218271 7072916667 8358230725 9034836856 8659135350 8920392726 9558112662 10714417606 9836688602 9124076624 7904827664 10300206016 12810597118 7975455566 7426720446 8766907616 10504579545 8935316352 9604417408 7301420211 8867309780 9170568789 11281297170 8838450854 10902083206 7527152025 14531915161 11571822876 11352579268 9799235609 7662917315 10177804827 11622470557 16055665542 8724428974 12274325444 7298120135 13233899693 11795277751 8867248815 7676291817 5819796680 9880177889 7742349770 11651251371 10865913560 8222217897 10930983934 9689594027 13881709365 10660258448 Tartaric acid 3704264431 4693341358 18545817686 4785746640 2770702703 7483362092 6002089298 19223729611 3436033469 4692755372 7905341372 3548961104 3335924821 2446742435 5555670244 13997257594 10844301213 7547301050 2.09E+11 4083474519 2843875536 3061964286 3397732153 4435085205 3953253715 2707950143 2695707876 3079899393 2715424946 11569747363 1922375510 2542838484 3626679296 3991767953 3144100457 5277861777 4144686265 3009620378 9883521292 4174224842 3356353303 3558798768 3284622642 8610896170 1207571720 3454994740 5168929392 3957817879 4377803002 2183322624 5038736381 5048459601 3055523077 37762370602 2427145674 4075961807 2977774619 2841290845 2789389731 2426768167 3364992806 4537657111 3375197487 5125684793 1943401737 3588847650 3320028010 4869381694 3243428838 4254941873 1346454545 Terephthalic acid 36934660686 23697004321 37285473253 28795209005 39069735420 27386891304 32379510276 44047729611 27482175963 32162038017 32904163451 43491702635 37964531623 33119157635 36383478831 35378642163 44308702355 25450249708 42360036137 33165382220 36584762722 26058197479 36081063963 47527902246 22492387473 33739416020 29001612662 24885649176 24464155269 30460449750 22002230385 20071754841 29180314301 22452197935 19763232877 19306318054 23545686265 24740880855 30691430978 22219893474 20467195084 23349261807 25216726415 25538455930 35717024502 29619740137 31225256705 33519350916 27267090994 27524200803 33346532588 39812143232 35806609549 20110824096 20195136821 20672352878 14776105922 13860418747 26113795110 20040198262 28186101619 19955489249 23566546734 26853824424 23906909963 33425657482 28188151692 25213500000 33233169389 23565762110 27929177059 trans-2-Butenoic acid 129085803.4 0 0 0 708953769.6 153652853.3 0 122725232.6 302024340.8 466370247.9 0 284685696.4 0 0 220422182.5 0 289597430.4 403280046.7 1605818128 108329558.3 149354996.9 115920168.1 0 159686922.1 41344479.83 0 292571784.6 52040763.23 108221075.3 113137701.3 804688435.4 130023073.8 0 299245960.5 273786402.8 0 46787549.41 90104354.97 321635938.2 0 361465437.8 134172997.9 0 0 302751914.2 0 315416529.8 0 70787523.45 275024096.4 89484922.18 427571878.3 0 179539759 0 469734803.7 55647038.92 0 48332029.34 0 0 0 0 54677419.35 0 0 80324117.86 0 75668688.75 0 0 trans-Aconiticacid 1984986739 2536225926 3891426310 2112716398 3567998578 3667032609 3115401843 3734383689 3580887424 1885810744 1184595927 3267579046 3707058473 3099479240 6170492546 3595644593 4122945039 2180322054 3262015995 2951573613 3928042305 3919268207 6650980011 4388955086 1787723461 1776783408 1390909771 2612760191 2919540645 3265233759 1448739683 2184813350 3043474920 3298551616 2769744800 1236671368 2758532609 3327856615 2193408517 2528661895 2068954941 3017608316 3455586675 7513950162 2406221542 3033129406 2395276409 3067156024 3287649625 3782789826 5231888132 2903413431 2791124668 1921533012 1731505835 3851492200 2345655161 2369509417 3530784352 1384927725 2665564748 4846585062 3280751256 7016955300 1721021024 1974066991 3289160422 4519948393 5168009333 3282711518 3574854831 Tyrosol 4202971919 3722772840 4667534934 3468453629 4173588193 3692047554 3478598157 3143727422 3052771298 4939569421 3261162379 3525762233 3013477327 3928394792 3235830650 3291662819 3787949322 3215225204 3305828199 2941217441 3573930717 3471125350 3113890919 3371390357 3955217091 2814649367 3857053340 3128722029 3280950108 3172444198 2822571882 2849814586 3906000000 2953822711 3554285642 4554389986 3092854743 2977740345 3291324754 2435518737 3208565796 2671758214 3518257075 2700217813 2593021440 2737026828 3067828134 2448362576 2228588180 3067388889 2475063716 2556106506 3828872149 3313800964 2969267203 3797657343 2236204061 2829622427 2763457702 2528078199 2956991007 2255335722 3278246231 2651666359 2626883455 3377632091 2498243725 2921359299 2925460103 3006190527 2426514993 beta-hydroxy-iso-butyrate 14560943838 1.15E+11 5.13E+11 0 0 2.22E+11 61033103473 2.69E+11 29127623225 33581849587 51140157556 25048296110 46444950477 0 62446992248 40475846294 6231281941 1.27E+11 0 0 1.93E+11 8560132353 6.40E+11 1.08E+11 0 31978329383 29778077268 80311579358 59495990968 2.20E+11 72721689342 51640195715 4.02E+11 2.14E+11 61357926433 1.94E+11 6.30E+11 1.56E+11 34606267665 1.29E+11 45622634921 53880213039 3.33E+11 1.07E+11 73130351200 8.22E+11 40577541872 2.27E+11 19083075985 46788279116 1.37E+11 25738286988 91800544297 0 32597049095 0 97158541455 1.46E+11 78305734474 5.09E+11 1.80E+11 93364689174 2.75E+11 73285037327 4.40E+11 2.85E+11 1.07E+11 0 82275650490 0 1.73E+11 beta-hydroxy-beta-methylbutyrate (HMB) 44610242156 97664194482 1.78E+11 80818368773 91695364879 1.09E+11 67071343101 1.20E+11 97872167639 59355538980 73768078754 1.53E+11 86204873536 76305351268 1.04E+11 65698720266 69047088092 1.19E+11 84665872175 67653667941 92943203820 1.15E+11 1.24E+11 76679702950 96270774330 75494255956 61809622232 0 91799351457 1.17E+11 66738586050 88554970209 94503002497 93463136712 72977780757 1.01E+11 1.07E+11 1.36E+11 77594784841 1.52E+11 81546274822 1.17E+11 2.05E+11 1.71E+11 85892913801 1.43E+11 1.14E+11 1.45E+11 1.94E+11 1.25E+11 87494307109 85622548697 2.81E+11 97123464274 1.55E+11 1.65E+11 3.03E+11 2.63E+11 1.78E+11 1.38E+11 1.98E+11 3.23E+11 1.65E+11 1.66E+11 2.53E+11 73352132440 2.15E+11 1.76E+11 1.14E+11 70731670663 1.19E+11 alpha-HMB 4.14E+11 6.26E+11 2.28E+12 3.02E+11 1.13E+12 8.94E+11 6.89E+11 5.08E+11 5.41E+11 5.94E+11 6.81E+11 6.90E+11 1.25E+12 6.28E+11 1.12E+12 6.14E+11 3.60E+11 3.70E+11 2.06E+12 4.34E+11 3.09E+11 3.94E+11 5.94E+11 3.21E+11 5.43E+11 6.41E+11 5.33E+11 4.52E+11 5.72E+11 4.21E+11 4.21E+11 5.55E+11 3.87E+11 2.04E+11 4.11E+11 5.63E+11 7.53E+11 1.13E+12 4.11E+11 5.01E+11 8.21E+11 1.47E+12 1.04E+12 4.87E+11 6.60E+11 4.30E+11 4.60E+11 2.53E+11 1.35E+12 2.34E+11 3.54E+11 3.99E+11 3.81E+11 4.95E+11 4.84E+11 4.27E+11 9.64E+11 4.32E+11 7.51E+11 5.75E+11 1.31E+12 2.11E+12 1.37E+12 4.52E+11 1.18E+12 8.00E+11 1.09E+12 5.47E+11 9.49E+11 3.02E+11 7.47E+11 keto-isocaproic acid (4-Methyl-2-oxopentanoate) 6.23E+11 6.40E+11 3.11E+11 3.78E+11 3.61E+11 3.25E+11 8.82E+11 3.00E+11 4.03E+11 4.45E+11 2.50E+11 5.59E+11 6.00E+11 6.53E+11 5.41E+11 7.14E+11 4.83E+11 6.27E+11 6.13E+11 9.37E+11 5.66E+11 7.30E+11 4.34E+11 5.56E+11 5.59E+11 6.13E+11 4.72E+11 5.54E+11 7.12E+11 9.08E+11 6.20E+11 6.43E+11 6.35E+11 4.04E+11 6.13E+11 7.51E+11 5.79E+11 9.95E+11 5.62E+11 6.52E+11 5.20E+11 7.34E+11 6.58E+11 3.05E+11 6.85E+11 8.92E+11 5.36E+11 5.91E+11 5.02E+11 5.76E+11 6.37E+11 4.28E+11 6.03E+11 6.53E+11 5.41E+11 7.09E+11 3.68E+11 5.34E+11 4.35E+11 7.40E+11 5.16E+11 9.86E+11 9.12E+11 3.90E+11 1.07E+12 3.89E+11 7.00E+11 5.72E+11 6.30E+11 4.33E+11 8.85E+11 beta-Keto-iso-valeric acid 0 0 0 5713530242 0 0 3230369950 0 0 0 0 0 0 0 0 0 0 0 272341824.6 0 5142399142 2948762605 4368580240 7132036328 6128084395 0 0 0 130608602.2 0 0 0 0 9170492370 0 0 5233006917 0 0 0 0 0 0 0 0 6120366649 2727834154 5640233759 0 0 0 0 0 0 4403077264 0 0 0 0 0 0 0 0 0 4547622943 3912895192 0 0 0 7353095264 0 cis-Aconitate 13746319813 23886602469 36328748908 28053282930 18984123044 24830251359 23902641389 51489357417 22302829615 23493600000 35136577170 30259394605 43603828759 24043543279 40454770423 29228478129 35269538187 24362970828 54860442536 39588529445 30029472103 25638814426 37919070246 45723472919 23863651274 30391080098 17872549850 26258576323 28013273548 26607754581 18338306122 20868967037 26662872999 26464677289 23346854896 16605708039 20585982213 35726693509 22275611605 25047868211 22203694316 25790575462 25883421580 23713007845 30832382338 42426861652 27016571976 38211333148 40626222795 28459533467 41263302529 33136125393 33298234483 21016745542 27251051911 23050258203 43441898477 18382130530 20922435208 21931097946 22799382194 38463954357 25073598995 25695090323 19619311243 24209817396 46253194980 17177875852 36529569295 21299357374 36575902903 N-Acetyl-L-glutamic_Acid 13623066303 17379177160 16511732533 10905809140 12693401849 22196141984 8728866761 21560903667 13755664300 9976477686 70631104502 18482147428 20556832936 8402231527 20563899225 22055878493 13792967166 12890145274 31782148697 22211040770 16405688535 40715960084 12297354083 27220972259 8049402335 7908062526 9078218345 16282941023 9069150968 28685869517 9829237642 8230976102 11114256137 13708661131 12839237950 9235458392 10791599308 21095349630 16308456247 10309025684 18043752688 11620196612 19454520637 29205138440 10916375191 12492053130 24604203065 16896672959 22146343340 17916065596 12968268969 19770967471 15881083820 17157142651 10854913481 12746845616 11756130964 15395227770 13222664548 9862291074 13778536421 10953964542 9706195980 18599605530 11762570384 13426050243 15478981448 16924675268 20667342044 13224962325 20282745359 Acetoacetate 683404836.2 0 0 218520833.3 301429587.5 3513010870 0 472272578 561697261.7 0 485520364.4 254047051.4 0 231631949.3 296049493.1 558601458.1 649702355.5 332553092.2 184960308.1 0 240155732.7 0 0 700350726.6 0 126377605.2 405749252.2 106535559.4 0 0 0 136548001.6 0 656573159.8 423930999.5 0 0 137027937.6 115042583.1 0 454158730.2 0 0 0 0 0 0 0 0 0 418533073.9 239351521.5 0 330675180.7 0 133353953.7 0 0 317596577 0 289411870.5 0 0 0 0 0 0 0 274671488.6 410551130.2 0 N-Acetyl-a-D-glucosamine_1-phosphate 74800312.01 0 191270742.4 216274865.6 0 316186820.7 1959744153 280892173 1700012677 214088429.8 228006430.9 0 10320405.73 127874736.1 11907573.05 298208991.5 1714387580 3788197200 2480084123 1578796149 2851541386 1009982493 1131082810 462903566.7 520526539.3 4041114426 1957840977 13779155247 1507120860 1623584675 3622906576 2245548414 3888740128 1027816876 879544901.1 2998965444 2682565217 2967144207 1189045859 1620774737 5405842806 56153490.76 29035377.36 339193354.9 1597192445 2232936349 48256704.98 51486951.69 1325873358 940748996 431470330.7 2105696222 594914058.4 4358258795 1082350503 2705392146 1632709306 1305744634 1055364792 1341154423 1078421763 3734830630 4516828141 1481761751 708355575.9 287445705 1062928338 893888510.2 598655623 538307319.7 644902427.4 N-Acetyl-D-glucosamine_6-phosphate 0 0 0 0 0 74245923.91 226455705.2 0 73439148.07 0 0 0 0 0 0 0 605201998.6 1251627188 1335379147 222497168.7 663225628.4 520861344.5 89448315.25 0 0 1983196159 812890329 536697745 32125591.4 70523598 1136406349 957875154.5 60677694.77 0 367510400.8 0 79100296.44 11023007.4 69943846.51 105783578.9 475467485.9 0 0 0 635639612 547136244.1 0 27576346.47 790047842.4 373666666.7 76326361.87 1080922350 264595756 956749397.6 177513078.5 866782678.9 164880541.5 38875164.26 0 0 134738309.4 379279894.4 760668844.2 0 46251828.15 27155051.32 234575482 71533592.99 43049930 0 21994764.4 N-Acetylneuraminic_acid 12858229329 18647212963 18197755459 16307727823 14524352063 61239614130 11614119064 9930239190 12058566937 16681629752 11278027331 21750513174 9593073389 5936174525 23138793679 9939159781 7466265525 6423855309 8167781991 4192677237 4502353771 20757654762 10199164477 17258054161 17724596072 7943799346 8201359920 10154587164 7598710108 11038455303 22916651701 9779633704 7739076307 11879102783 10409306443 7978209450 8767306324 13325573952 12281069256 8118672421 5977205837 15475233060 20955264741 20260082603 12675700357 5328693845 12787382047 6115709051 6958342402 11637170013 7321923638 5868769675 4179569761 8131244337 11794941650 14385940290 21528719459 12206631187 13573998533 4990148104 9873798112 13068319879 9836943719 11763534562 15705104662 13113051324 8092382685 8066495131 15530570695 11034111948 5955098525 N-α-Acetyl-L-methionine_sulfoxide 0 0 26164847.16 0 0 302847826.1 0 0 0 0 0 69595984.94 27829952.27 67923997.19 0 0 0 0 0 31817100.79 0 0 0 0 36018577.49 0 0 0 0 0 0 0 0 0 23436834.09 0 29840415.02 0 0 0 0 27773100.62 0 242082141.2 0 24830089.43 0 0 22281894.93 0 0 21687827.91 0 0 26821327.97 0 0 0 0 0 0 0 0 0 0 0 19642779.19 23407010.71 0 0 0 N-Acetylaspartate 33692037441 77700367284 69801636463 29440755376 28973617354 55486332201 33796648476 73796325123 42499445740 40309180165 25815631297 45872005019 49856678998 28673122449 48400942755 33468793439 30065683797 34107316219 37037090047 36805690827 28900810546 46529086835 28273957167 51700352048 34567616242 26249697998 18599046361 37405919341 23098086022 35925875625 31205174150 22980942728 34988656350 39689253591 40221401319 18886072638 16394413538 27253242399 24292623304 24133478316 25634943164 43525702259 42411665094 69015924781 25998907095 32230108890 29979484948 30015881732 45229890713 35978273762 35173390564 35223272823 26257371883 23152049157 23258018109 19465711135 37912653130 23012788874 17465844988 23308160742 25413240558 22468274613 16103164322 37769570968 12757490859 23480036197 27699342306 21808705940 31073640691 26935716900 30711593051 N-Acetyl-Asp-Glu 837948517.9 301235185.2 524643559 380750000 314024182.1 1251216712 973656272.1 1010824849 1114368661 968331405 276682743.8 1113446048 861678997.6 714205489.1 831568873 1009784933 626758030 657497082.8 684956161.1 768048697.6 747535254.4 602422969.2 716177612.8 1423573976 887243099.8 417763792.4 698203389.8 621967476.1 521131612.9 480458078.8 707897052.2 399704161.5 466338847.4 621594703.8 1413576357 694362482.4 420049901.2 742115447.8 648124941.5 669456842.1 451903225.8 2210674025 1104215212 2566320720 815293006.6 442341399.3 908438423.6 993823986.7 896047373.4 2342137885 541720330.7 433591290.7 1122860477 515361927.7 775430583.5 635009144.7 1600499831 1078390276 907016136.9 319576224.3 1541683004 969796680.5 1433974874 890820737.3 733599177.3 669223662.9 587671516.9 1653958617 711889874 1041518299 871674440.7 ADP-ribose 0 0 0 7809811.828 0 0 0 0 0 0 5863344.051 0 0 49812807.88 0 10384568.65 10057815.85 0 0 0 0 19941876.75 7703597.944 0 0 0 12318045.86 0 8061935.484 15480843.98 9160544.218 0 26148879.4 70999102.33 12835109.08 0 12613636.36 0 48459522.7 9370526.316 0 0 0 0 75613578.36 0 0 14207107.16 0 57882195.45 0 10191500.52 14527851.46 0 7667605.634 0 0 0 0 0 19351169.06 0 12112562.81 0 41919104.2 75419773.1 0 43870983.45 19936070.93 11911194.83 0 Ascorbic_acid 2778771451 9335688272 95678087336 3682584005 5069748222 45312144701 5209492558 14036183361 8450943712 6824976033 1.22E+11 0 21523588902 4978725545 8243680978 7456699878 3149396859 3908244457 4476610782 3182543601 5473665849 3300528011 8491090234 4673187583 2864045648 1887179812 1919920239 0 2170304946 3145336480 1516049433 2435225381 2387215048 4053082585 2979688483 3603278561 2761504447 3265835661 2240828732 0 2011712238 5248511807 10690764151 20136518228 2515285860 3840869016 15251802956 3603867851 14694166510 5766874833 5376689689 6610595488 9892496552 0 8985876459 4279587951 10135312014 20125872536 8996081174 8581462875 17350614209 25628523953 4140209548 16100370046 11183020110 6584990816 3662642052 0 0 13434940258 8168162780 Carbamoyl-DL-aspartic_acid 17554602.18 43504320.99 105719432.3 15743279.57 0 14619565.22 42401842.66 143146688.6 40843306.29 22090909.09 0 13178168.13 39762529.83 0 75495527.73 14226609.96 22885082.08 0 51071090.05 27989241.22 0 0 32847515.71 59309775.43 0 14815692.68 0 0 0 0 0 0 14230522.95 0 40042617.96 0 0 15639276.91 0 0 12665130.57 17294661.19 23268867.92 59283802.49 0 0 0 0 0 0 48618190.66 0 0 0 0 0 0 0 0 0 0 46356469.26 0 17610138.25 0 0 0 0 0 0 0 Creatine_phosphate 0 0 0 0 0 24514945.65 0 0 0 0 0 0 4690334.129 0 4465712.582 0 0 13670945.16 640530805.7 0 10522992.03 0 0 0 0 0 0 65229401.56 0 5920599.667 0 0 7618463.18 0 0 28675599.44 15558300.4 0 0 0 75062980.03 5608316.222 4343750 0 18916794.28 94733824.3 0 0 10720450.28 0 0 0 0 0 0 0 0 0 0 0 0 7110147.114 0 5798156.682 0 0 0 0 0 7539289.559 34441694.43 L-Cysteine_S-sulfate 53779666147 66042606173 39501977074 65930880376 93908411807 71203399457 50026055280 81838532020 81199177992 70945559504 53583550911 79025289837 86266767900 65393293455 95994503876 1.07E+11 58933211278 68490868728 70298242299 64465883352 74329985285 65808152661 64558499714 97096942536 61608807856 65027619534 48225899302 56554537294 48697516989 47835166019 38016205896 40076624227 47063458378 56584518851 64164720954 67461277856 47523567688 40844165160 57336824988 63636185263 56508030210 55311829055 94275870873 76658121827 79232815722 70276179905 1.32E+11 69892463076 1.06E+11 53990454485 73810039397 91937803778 98031218568 58519996145 67681325956 69293042496 62698098816 57169505913 49327108557 48221399684 73922939748 73876351943 62085343719 88861328111 55809228976 54715046461 92906865042 66673483934 84538396640 77820375135 87257999524 Cysteic_acid 2730657566 1200025309 1633911572 5439510753 1644551920 2657414402 4287143161 1038072797 2068520284 2111868595 2370106645 4718734003 6827192124 5202993666 1724670841 2558478736 2789521770 3570128938 1116640995 4510233296 5608920294 1908088936 1176565962 1490988771 3796348195 2731329792 3829275174 2071885082 1695779355 2114860633 3816256689 4737383601 2081743863 1515804758 5702742263 2833532440 1418007905 1491616680 1607049602 2332728842 1956139273 1572863450 3503568396 2150569912 3879323635 1887225671 1740828134 2114958912 1356419325 1770102410 1976773346 1561377754 2412694960 3095451084 5336065594 1803861754 2210513706 3650413053 3871075795 3266645735 3723027878 1409913240 3442627136 1913722120 4842157221 3091998379 1320098945 1927004869 1932412506 1556498924 1650151832 glyceraldehyde 3-phosphate/Dihidroxyacetophosphate 65434477.38 34337037.04 583288755.5 3520695565 0 550275815.2 0 793356869.2 0 52155371.9 222471061.1 96479297.37 599184964.2 1127515834 201790101.4 48288578.37 255067808.7 0 474501184.8 0 100110974.9 241377451 160307824.1 232375825.6 0 0 592180957.1 491049869.9 159938924.7 401366463.1 0 286128965.8 280553895.4 294781418.3 0 0 303845849.8 441632292.5 595277959.8 428629052.6 0 79146303.9 0 48052607.29 539619703.9 484045765.4 34953475.64 90489172.68 137347091.9 393603748.3 37279669.26 0 520023872.7 130213012 298369818.9 485629908.6 0 510688567.7 126891931.5 0 0 0 273879397 32205529.95 193319926.9 90139924.37 109618406.7 16731256.09 198740550.6 71292787.94 0 2,3-Diphosphoglycerate 0 0 0 23231426747 0 15119398777 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9378450.106 0 0 0 6978924.731 0 0 0 0 0 0 0 0 0 0 0 6644649.258 436614989.7 0 0 2008408882 884456075.7 0 0 0 4062451807 0 0 0 0 0 4859661108 32795939.09 0 8571149.144 0 0 74900414.94 0 0 0 281434359.8 0 0 0 0 148295573.5 Dihydroorotate 153200468 15222222.22 157581331.9 49422043.01 108848506.4 165485733.7 72327427.36 0 0 68351239.67 54987138.26 60885821.83 63396778.04 109672061.9 171804412.6 137087484.8 11963597.43 96854725.79 103111966.8 71949603.62 0 0 165422044.5 47522457.07 247688959.7 70560686.55 89456630.11 47084128.36 41780215.05 0 81497505.67 4149567.367 33321771.61 152431328.5 0 0 119561264.8 143281840.6 4467477.773 56293052.63 49866871.48 118083162.2 74686320.75 794385786.8 107925472.2 62627038.4 10843088670 654791782.3 362177298.3 0 342414883.3 114854669.5 115786206.9 120254457.8 1012571429 289516944.6 50393570.22 1030848883 0 404525276.5 94316097.12 0 107165829.1 0 31286106.03 6796326.31 69389959.99 167853943.5 0 132645855.8 1715637792 2-Deoxy-glucose_6-phosphate 883407956.3 592742592.6 738163755.5 1004291667 760716216.2 542780570.7 688600283.5 490444444.4 447466531.4 1224340496 611476956.1 657716436.6 471965393.8 785699507.4 388058437.7 420433778.9 511423982.9 642797549.6 498747037.9 454026613.8 695416309 800855742.3 614154197.6 783212021.1 1111083864 548360441.4 946427218.3 950302255 731518279.6 621409217.1 610421315.2 495401318.5 732787086.4 645950628.4 471225773.7 972287729.2 615864130.4 335843467.5 476751988.8 400609263.2 649504352.3 185553901.4 58789504.72 18589293.95 92580908.63 100765386.6 0 161958911.7 0 189264390.9 69778696.5 426835781.7 52204774.54 655602891.6 637216901.4 1253969876 1497195601 117097240.5 156005379 124113349.1 117084982 207142210.5 243294472.4 98341013.82 215145338.2 38032414.91 218018552.2 94551119.77 62718152.12 48828310.01 15435506.9 Ethanolamine Phosphate 92568642.75 82337037.04 101882641.9 81375672.04 95798008.53 130869565.2 321885896.5 39254515.6 39256592.29 66425619.83 33260450.16 41857590.97 31221360.38 70729767.77 24869409.66 22160388.82 1088537473 4109921237 6168901066 130256511.9 545275904.4 186838935.6 370845231.3 122266842.8 50981953.29 2106485901 615782652 786606678.2 153725161.3 1502658523 203674829.9 161869798.1 117975453.6 96888689.41 156178589.5 230927362.5 304480731.2 110595316.4 143655124 345662736.8 969339989.8 183703285.4 0 66916012.92 1955956611 1678036297 105593869.7 76374236.54 1088700750 519517402.9 206212062.3 1313059286 379526790.5 725044337.3 97415291.75 923690693.9 367525888.3 238327639.1 163461124.7 0 157849820.1 1098735194 360256281.4 250496774.2 185317641.7 247672609.4 488301564.2 292210321.3 391830611.3 182584499.5 236155640.2 Fumarate 7726364275 10619208642 16050481441 8530068548 6412290185 9253218750 9705230333 29529038314 10735640974 7422172727 9970972669 10518390213 17174660501 9695388459 8819906380 11824371810 9909426838 11660876896 14239398104 13889737826 11225006131 11775563725 11839608795 14433452444 12039835456 8458497752 7175643569 16369225932 9354740215 9900533037 7949993197 8673893284 9310345251 8609246409 10092421613 6640229901 7150118083 10180103122 7214693028 8515644632 9310370200 10557371150 10217067217 10646066913 11217042879 10084722251 11920485495 11666907829 24199011726 10272668005 15692636673 13049294334 11942281698 10670908916 11022610463 8197582033 16363922166 11102434954 9152553545 6774714850 11766042266 12346470011 8689064322 7486034562 8711304845 10310500810 16597628592 13461899708 12076707420 13978190527 20966694431 Fructose-6-Phosphate 2442251950 1609480247 988900109.2 2776938172 2782938834 2824156250 6108975904 827275314.7 1329785497 1922181818 985601822.1 227535759.1 1199159905 1777259676 1749135361 2674297084 4021459672 6465386231 10479584123 4820718573 3763901288 3652406863 2980143918 2330542272 1218787686 7639142215 18806499501 11755147875 3038381075 3384385897 3843585488 3151608982 5262476521 2364539946 3141359209 4151759520 2545363636 3739421939 3999121198 4144707368 31367217102 2689019507 4595274175 1300239963 3727104135 4816814834 6625723043 3763033870 34957722326 6642170683 8739241732 16846092865 7934876923 16734990843 5507905835 19485185584 3020216244 4878997810 2154185330 1418054897 2675994604 7209214259 4779949749 2295145622 6373576782 2494151270 4012618043 4808116358 14030970135 3544779871 14079950976 Fructose1,6-diphosphate 50711388.46 7747530.864 0 333126344.1 11009246.09 0 0 0 8483265.72 20688429.75 0 8731493.099 0 0 17747167.56 186404009.7 10835831.55 99728704.78 11228080.57 78638731.6 30918454.94 93168067.23 8735008.567 20684280.05 0 9318757.662 30651545.36 0 52893333.33 77018878.4 52280272.11 95557066.34 39359658.48 23538150.81 15004566.21 14097320.17 0 40804847.99 0 23283368.42 19731182.8 14732546.2 0 14019843.1 15787136.29 0 82629994.53 5305941.144 25398686.68 0 75904669.26 18392969.57 17178779.84 21964337.35 54128370.22 0 0 0 0 0 0 23043002.64 0 13353456.22 0 0 9392506.366 0 10878208.12 0 0 Galactose-1-Phosphate 292156786.3 325384567.9 216206877.7 773328629 338591038.4 691254755.4 1074289157 340180076.6 950516734.3 638840495.9 144359056.8 170461104.1 866258949.9 605745249.8 386302921.9 490739975.7 1117689507 1385110852 1432402844 821332389.6 1048647456 1059235994 1040209023 843023778.1 756891719.7 1586427462 1114019940 1157459237 565592688.2 1008687396 946529705.2 1486899464 1011559765 594946140 948269913.7 575921720.7 794640316.2 805970008.2 588572765.6 1104488000 799434203.8 603877823.4 627720518.9 60245500.69 1238928025 1178726460 415799124.2 321549694.6 1058070356 657688085.7 508982490.3 755033053.5 605214854.1 909561927.7 1081089738 1225172673 711365820.6 814655716.2 376397555 590027251.2 801241007.2 1258403621 1703153266 578024424 731986288.8 730314964.9 1267742816 966830087.6 1072799347 859910118.4 552924797.7 Glycerol_3-phosphate 3.03E+11 1.31E+11 75811909934 2.44E+11 1.34E+11 87969152174 3.61E+11 2.56E+11 3.79E+11 2.36E+11 1.02E+11 93349696989 2.26E+11 3.00E+11 1.78E+11 2.04E+11 2.24E+11 2.02E+11 3.34E+11 1.25E+11 1.01E+11 1.23E+11 1.68E+11 2.65E+11 1.04E+11 2.65E+11 2.56E+11 3.15E+11 1.28E+11 1.64E+11 3.00E+11 2.45E+11 2.04E+11 87970142729 2.08E+11 4.69E+11 1.07E+11 97810997535 91684952737 1.78E+11 1.73E+11 77368933265 80074274764 61677804799 1.86E+11 91145095739 1.77E+11 1.03E+11 1.38E+11 1.58E+11 1.01E+11 1.62E+11 65698415385 1.29E+11 1.58E+11 2.01E+11 59448530964 1.33E+11 1.24E+11 90975715640 69755683004 1.29E+11 1.50E+11 46835219816 82107789305 1.40E+11 1.16E+11 80864040409 53461123192 73985615716 1.37E+11 Glucose-1-Phosphate 516898595.9 60304320.99 108883187.8 618178091.4 289694879.1 853923913 281474840.5 359870279.1 1073167343 105373553.7 62883172.56 33367001.25 70092482.1 657327234.3 50128205.13 83718712.03 1215351178 2484112602 2108381517 309379388.4 583979767 476007002.8 474055968 222937252.3 33551486.2 931876174.9 319128115.7 1416784042 786467957 284756246.5 464203174.6 1030417388 318247598.7 130606373.4 212109589 653428772.9 321918972.3 225623253.9 174948993.9 483802105.3 2451352791 59233572.9 17683962.26 33079833.87 411733027.1 573172540.8 344533114.4 77262631.87 621599906.2 225912315.9 154393968.9 1418100210 762380371.4 487367228.9 129095774.6 678347498.7 162362098.1 552791064.4 73015647.92 298193522.9 279661870.5 926880045.3 662477889.4 224135023 276682815.4 185738519.7 202216806.1 310247322.3 236344843.7 119547362.8 321736792 Glucose-6-Phosphate 597120124.8 1289896296 211689956.3 0 0 513790081.5 2335878101 0 0 0 270165058.9 0 474414677.8 0 0 0 1550139900 1835373396 4850655806 693827859.6 1007774372 637507703.1 549968589.4 0 629470276 2831958316 7237426221 4434462272 645932903.2 2938425319 642111564.6 531527400.1 1049946105 534814183.1 920051243 1220518336 680171442.7 0 791356574.6 990381894.7 11429571941 0 3431339623 0 639226646.2 1355927407 4698198686 830836202.1 16310169325 1753242303 4192142996 7654975866 3673075332 6980724337 1061159759 7105290479 819762775 0 771290464.5 438538704.6 640200989.2 2317094681 1015375879 640010599.1 1482446527 629159913.6 1427628228 1086003408 6028062063 3111165770 5380950976 D-Glyceric_acid 2.89E+11 2.42E+11 96795239083 2.03E+11 3.04E+11 1.78E+11 4.49E+11 78007787083 1.63E+11 0 1.77E+11 97202336261 1.16E+11 64615511612 1.70E+11 1.49E+11 0 1.49E+11 1.14E+11 1.77E+11 0 1.97E+11 2.29E+11 3.56E+11 3.79E+11 3.18E+11 3.79E+11 4.22E+11 3.54E+11 2.78E+11 2.41E+11 1.60E+11 5.18E+11 7.35E+11 2.25E+11 3.48E+11 4.87E+11 1.74E+11 3.50E+11 3.85E+11 0 1.31E+11 98296149764 2.54E+11 3.51E+11 87499974750 1.65E+11 1.94E+11 1.13E+11 3.63E+11 2.47E+11 3.35E+11 2.21E+11 3.03E+11 2.54E+11 4.02E+11 2.61E+11 1.54E+11 1.34E+11 1.68E+11 1.09E+11 1.08E+11 2.09E+11 1.95E+11 1.26E+11 1.46E+11 1.05E+11 2.87E+11 1.50E+11 3.57E+11 2.32E+11 DL-Glyceraldehyde-3-phosphate 2617668487 1551776543 0 0 1665881223 0 0 1308752053 435718052.7 1359803306 366427116.8 1145441029 1719106205 2232753695 1274893858 2251944107 0 0 0 1322882220 261360515 657441176.5 1449464877 817448480.8 1063308386 1480166735 636273679 1294323070 182460215.1 0 0 1202608158 0 998893626.6 455507356.7 2344701693 684359683.8 0 0 0 183512544.8 0 0 1106524689 0 0 0 0 0 1044477242 845714980.5 2096740818 1403501326 1944423133 1672575453 1004118881 1004069374 0 1052711491 1308234597 0 2662370803 0 1423538710 732311243.1 0 0 0 1421627158 2592034984 0 D-Glucuronate 1.37E+11 4.46E+11 4.08E+12 1.73E+11 2.33E+11 1.29E+12 2.49E+11 6.45E+11 4.04E+11 1.81E+11 5.08E+12 6.63E+11 9.31E+11 2.34E+11 3.78E+11 3.43E+11 1.50E+11 1.97E+11 2.12E+11 1.64E+11 1.94E+11 1.80E+11 3.94E+11 2.33E+11 1.68E+11 96710259093 84883722832 2.00E+11 1.16E+11 1.77E+11 87617394558 1.35E+11 1.39E+11 1.82E+11 1.61E+11 1.91E+11 1.41E+11 1.74E+11 1.11E+11 1.22E+11 1.11E+11 2.64E+11 4.14E+11 1.05E+12 1.29E+11 1.81E+11 5.73E+11 1.55E+11 6.15E+11 1.64E+11 2.67E+11 2.79E+11 4.61E+11 1.76E+11 4.62E+11 1.77E+11 3.62E+11 1.06E+12 4.45E+11 3.67E+11 8.89E+11 9.95E+11 2.25E+11 8.35E+11 3.79E+11 3.47E+11 1.91E+11 2.04E+11 3.00E+11 6.35E+11 3.49E+11 GDP-D-mannose 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23852972.4 0 0 0 0 0 0 12412031.31 15334044.82 0 9562151.192 0 0 11998356.61 0 0 0 7840862.423 0 0 0 13878485.01 0 19834536.37 7192307.692 0 0 0 0 27247710.84 0 0 32166497.46 0 0 0 0 0 0 36882027.65 0 0 0 30542356.38 0 0 0 D-Glucose 2.14E+12 0 1.40E+12 1.95E+12 2.55E+12 1.64E+12 120807937.6 1.48E+12 1.24E+12 0 1.54E+12 1.27E+12 0 1.60E+12 0 1.90E+12 1.60E+12 1.94E+12 1.62E+12 2.59E+12 0 211760504.2 0 0 0 1.71E+12 2.17E+12 2.06E+12 1.90E+12 2.72E+12 1.80E+12 1.61E+12 2.21E+12 0 2.00E+12 0 1.88E+12 2.07E+12 0 0 2.60E+12 49224846 0 2.05E+12 0 0 0 0 2.21E+12 0 0 1.39E+12 0 2.78E+12 2.69E+12 0 1.47E+12 3.24E+12 0 1.73E+12 2.60E+12 2.12E+12 2.39E+12 0 0 1.98E+12 1.65E+12 2.94E+12 2.78E+12 0 0 beta-Hydroxybutyrate 0 0 5.13E+11 0 0 2.22E+11 0 3.11E+11 30077438641 6530009091 55104204716 25643943538 49143316826 0 1.70E+11 40475846294 6231281941 1.81E+11 0 0 2.08E+11 8560132353 6.40E+11 1.17E+11 0 0 47156161515 84174765828 26741668817 2.36E+11 4163307029 6837096415 4.49E+11 2.14E+11 69495280568 1.94E+11 6.30E+11 1.67E+11 2.52E+11 1.38E+11 0 23325512320 3.56E+11 1.11E+11 59467328229 8.22E+11 0 1.22E+11 19083075985 81673306560 1.46E+11 1061667366 93068223342 0 0 0 2.69E+11 1.46E+11 79823852812 8.17E+11 1.80E+11 95365168993 2.93E+11 1.93E+11 52888592322 3.35E+11 9007945071 0 0 0 1.88E+11 2-Hydroxyglutaric_Acid 72345692668 1.21E+11 1.11E+11 78843723790 1.00E+11 1.50E+11 97037717931 2.25E+11 98783652130 86486623140 1.03E+11 77801050816 98930977924 80663396904 1.04E+11 93439557716 87570257673 67133606768 2.45E+11 1.10E+11 64751019007 86624242297 1.36E+11 1.02E+11 1.31E+11 60316566408 74969083749 1.01E+11 64820657634 68695689062 66478998639 60998400494 77235289221 98268835727 66386714358 61489533145 76431227767 68235464256 82612713617 69392670316 83834273425 1.80E+11 1.12E+11 1.40E+11 86404668709 77295240400 1.09E+11 1.06E+11 1.06E+11 98660684739 1.44E+11 85563293284 1.03E+11 74755310843 69411124346 82707009145 6.78E+11 64181166448 71992884108 55392287915 70726346223 1.02E+11 91820526633 1.37E+11 70866934644 87580412750 92994680611 85408396300 1.16E+11 88508193219 1.17E+11 4-Hydroxyphenylpyruvic acid 167684867.4 1576530247 456083515.3 452388440.9 314080369.8 569902853.3 243114812.2 695961138.5 1022233773 780238843 89142015.01 180797992.5 436027446.3 0 339585569.5 338746051 246353319.1 1023147025 1153972156 1766337486 491904353.2 1463373249 643619645.9 724142668.4 480681528.7 542467102.6 615923230.3 545937987.9 406861505.4 1565701277 679313378.7 347135146.3 499664887.9 885781418.3 844517503.8 1777521157 0 1853210764 2001882078 931219789.5 968588837.7 0 2882093750 2018322104 773327207.8 1595528669 1785390257 2091709606 617262664.2 597412315.9 1683903210 1530775971 1517570822 1034178313 618066398.4 98728348.57 1478279865 1759459483 0 0 0 650148623.2 65407035.18 2402194470 40419104.2 240897352.8 1531228810 0 0 2076397740 2670180866 MES (IS) 3.18E+13 2.32E+13 1.94E+13 2.06E+13 2.28E+13 2.49E+13 2.57E+13 1.69E+13 1.70E+13 2.92E+13 1.94E+13 2.09E+13 1.76E+13 1.85E+13 2.35E+13 2.10E+13 2.12E+13 2.17E+13 1.92E+13 1.87E+13 2.11E+13 2.44E+13 2.27E+13 2.58E+13 2.57E+13 1.85E+13 2.55E+13 2.04E+13 2.06E+13 2.82E+13 2.15E+13 2.01E+13 2.70E+13 2.41E+13 2.47E+13 3.13E+13 2.29E+13 2.02E+13 2.27E+13 1.99E+13 2.11E+13 2.03E+13 2.39E+13 1.58E+13 1.86E+13 1.74E+13 1.96E+13 1.48E+13 1.26E+13 2.27E+13 1.55E+13 1.54E+13 1.50E+13 2.07E+13 1.74E+13 2.70E+13 1.50E+13 1.89E+13 2.14E+13 1.66E+13 1.97E+13 1.43E+13 1.85E+13 2.14E+13 1.77E+13 2.14E+13 1.43E+13 1.96E+13 2.01E+13 2.38E+13 1.51E+13 Lactate 1.90E+13 1.91E+13 1.39E+13 2.22E+13 2.08E+13 1.67E+13 2.32E+13 2.20E+13 2.41E+13 2.27E+13 1.79E+13 2.72E+13 2.87E+13 2.89E+13 1.30E+13 2.17E+13 2.83E+13 2.03E+13 2.10E+13 2.52E+13 2.33E+13 2.31E+13 1.48E+13 1.78E+13 2.71E+13 2.65E+13 2.47E+13 2.26E+13 2.03E+13 1.58E+13 2.81E+13 2.69E+13 1.71E+13 1.51E+13 2.72E+13 2.19E+13 1.98E+13 1.94E+13 2.44E+13 2.06E+13 2.76E+13 2.19E+13 1.98E+13 2.12E+13 2.07E+13 1.68E+13 1.95E+13 1.52E+13 2.18E+13 2.00E+13 1.93E+13 1.78E+13 1.49E+13 2.90E+13 2.72E+13 2.22E+13 1.63E+13 2.67E+13 2.88E+13 1.90E+13 2.69E+13 1.98E+13 2.59E+13 1.84E+13 2.33E+13 3.46E+13 2.03E+13 2.76E+13 2.15E+13 2.18E+13 1.92E+13 Malate 2.61E+11 2.35E+11 4.45E+11 2.00E+11 1.64E+11 2.23E+11 2.03E+11 7.44E+11 2.94E+11 1.78E+11 2.48E+11 2.72E+11 4.43E+11 2.63E+11 1.99E+11 3.18E+11 2.42E+11 3.01E+11 4.36E+11 3.83E+11 2.49E+11 3.07E+11 3.24E+11 3.27E+11 2.74E+11 1.64E+11 1.60E+11 3.93E+11 1.67E+11 1.98E+11 1.85E+11 1.86E+11 2.17E+11 2.09E+11 2.21E+11 1.36E+11 1.60E+11 2.34E+11 1.51E+11 1.85E+11 2.61E+11 2.35E+11 2.25E+11 2.46E+11 3.03E+11 2.31E+11 2.52E+11 2.36E+11 5.03E+11 1.97E+11 5.12E+11 2.97E+11 2.24E+11 2.23E+11 2.60E+11 1.51E+11 2.16E+11 2.54E+11 2.25E+11 1.41E+11 2.46E+11 2.86E+11 1.87E+11 1.97E+11 1.70E+11 2.42E+11 3.72E+11 3.13E+11 2.52E+11 2.74E+11 4.72E+11 Mevalonate 254801092 690073456.8 2603236354 908973790.3 1957955903 1310860054 1760181432 1919022441 905562373.2 181403305.8 249752411.6 928485570.9 922570405.7 291496833.2 2842483005 1595304982 728622412.6 862822637.1 5920240521 664654020.4 684987124.5 2229700280 3451826956 2170739762 1607415605 1172531263 1310619143 625820902 1159121290 246329261.5 575098412.7 1399505562 702574706.5 1507024686 4105159817 4236409027 824499505.9 3857363599 651893308.4 1102053895 976715821.8 1597100616 1442375590 3160853715 1349455845 83254076.8 805582922.8 2418164908 235987335.8 1000964525 2610213035 840641657.9 998743766.6 1149060241 1490894970 6400883271 3245174958 1582847131 2255894377 278308846.8 1707813399 1110815541 855393467.3 3172788940 548981261.4 441779038.4 1049181157 324479552.1 892580961.3 1083737890 410933365.1 3-Methylthiopropionate 10879875.2 63045061.73 43765283.84 26858198.92 89010668.56 1350088315 83287739.19 48443349.75 311349391.5 92366115.7 281863880 22668130.49 204497016.7 16346235.05 236125819.9 252470230.9 125204853.7 0 0 84347112.12 31465358.68 0 126033123.9 0 50080679.41 56816101.35 36554835.49 120295750.2 39203010.75 139912826.2 37435827.66 20316028.02 115722518.7 37339317.77 0 526588857.5 0 7578060.805 31079082.83 0 11493599.59 40063655.03 56679245.28 0 0 260891109.9 17526546.25 64028872.85 0 99165327.98 11938715.95 0 0 0 0 107365788.1 429952622.7 0 10174083.13 22539889.42 0 65117691.44 69038693.47 69402304.15 120811243.1 11267963.26 18668606.77 0 68682687.82 8553821.313 7747263.208 3-Methyl-2-oxopentanoate 6.25E+11 6.39E+11 3.08E+11 3.78E+11 3.59E+11 3.24E+11 8.71E+11 2.99E+11 4.02E+11 4.43E+11 2.49E+11 5.58E+11 5.95E+11 6.53E+11 5.29E+11 7.17E+11 4.78E+11 6.20E+11 6.07E+11 9.31E+11 5.61E+11 7.31E+11 4.30E+11 5.55E+11 5.55E+11 6.12E+11 4.72E+11 5.51E+11 7.05E+11 9.01E+11 6.14E+11 6.40E+11 6.30E+11 3.98E+11 6.13E+11 7.55E+11 5.75E+11 9.90E+11 5.60E+11 6.45E+11 5.18E+11 7.28E+11 6.52E+11 3.01E+11 6.74E+11 8.85E+11 5.37E+11 5.89E+11 5.01E+11 5.68E+11 6.31E+11 4.25E+11 5.97E+11 6.52E+11 5.33E+11 7.04E+11 3.65E+11 5.36E+11 4.31E+11 7.37E+11 5.11E+11 9.81E+11 9.03E+11 3.89E+11 1.06E+12 3.86E+11 6.98E+11 5.67E+11 6.25E+11 4.32E+11 8.90E+11 Nicotinic_Acid 6156553822 6240455556 19963709061 6216681452 9260500000 3.08E+11 11183512403 16024484948 7448581643 6846576860 14130261522 5547245295 10868163484 6480300493 22571113298 17254704739 6431105639 6526641190 4874489929 4883883352 8329248314 8043195378 4885252998 5893400264 4969802548 3826413568 6573749252 10234881180 5269836559 6444160466 3741196825 6740618047 6322373533 8467437612 7262738711 6326487306 5950777174 10715529581 8822908751 9871205053 6754352279 10685097536 25830592571 48159305030 12699068913 13720837454 14295721949 18300360911 24859035647 14152607095 9136479572 13778039874 19090618568 6704257349 10321974245 12906025282 19160018613 24969809023 17801856235 13166617299 20826388040 28299713316 8656364824 19543116590 13258899452 8131920043 29546863223 20976648978 16539287914 12640556512 17671992861 2-oxoglutarate 87360638846 4.05E+11 4.63E+11 1.93E+11 3.07E+11 1.26E+11 69029756201 5.23E+11 2.46E+11 1.14E+11 5.83E+11 1.82E+11 3.34E+11 2.44E+11 68068261777 3.42E+11 75255377587 87915402567 52378917654 1.68E+11 3.17E+11 1.64E+11 97363536265 1.27E+11 90387261677 1.17E+11 1.29E+11 2.27E+11 2.56E+11 55601378679 70801211338 92151268232 52980060832 55546917864 90603539827 40818441467 1.18E+11 1.49E+11 1.73E+11 51173276211 1.99E+11 93773471253 2.27E+11 3.52E+11 1.15E+11 1.52E+11 6.21E+11 2.45E+11 2.35E+11 1.53E+11 1.01E+11 4.31E+11 3.86E+11 5.23E+11 1.45E+11 2.74E+11 1.08E+11 7.41E+11 5.12E+11 1.76E+11 2.94E+11 1.79E+11 2.90E+11 3.37E+11 5.17E+11 4.13E+11 3.11E+11 3.84E+11 4.25E+11 3.43E+11 3.57E+11 Orotic_acid 1968187988 538198148.1 4272501092 13191074597 1363283784 2116221467 996082211.2 3737795840 2425797160 1553715702 2673120043 2016861355 11562016110 933874736.1 1748057245 3531727825 2344477516 1887018086 1456523104 2115652888 1426725322 1437714286 1226813250 2036142008 841595010.6 1537548427 1372546361 1557377277 1451325591 1138065519 961850340.1 1179009889 1089933831 1817652603 1729255200 1220327927 1518393775 1779478225 1792702387 1800450947 1432406554 1373738193 1462867335 2400122750 1321820316 1620899001 1282659004 1726229872 11772260319 1775620482 1250296693 1094813746 1697932626 1356482410 1864402817 870154922 1971630457 1975036356 3396315892 1260651659 1613898831 1295814410 2407095477 2321663134 1146670932 1071776877 1760987996 1719970789 1420937004 748003229.3 1787263684 2-Oxobutyrate 1163539653 47040245962 0 9245984741 19780174097 0 23686342931 26179642187 19239959258 4778823574 0 0 7334455311 10035529505 20424276405 8871989852 7729227693 12445718786 6254025634 45731263852 10804296776 17743979705 13339151019 21774813502 5526813351 6939682929 7646117718 14378025709 13754700895 23852562882 13609258439 0 12695048711 5256705931 12965156131 10783519282 26138087200 44193729311 30854578292 10700409307 21878700971 39124020824 31477903106 30833800798 9557647148 64763448172 28278169061 36568389087 61875376534 21109933700 21193043675 21068378713 32558332784 16954434940 14710465610 23977227844 9225207247 82569760359 36132061717 26075754718 57054997973 1.29E+11 98090548227 23457790499 93727274529 20611273849 57366660380 68378732094 38417586035 7750005187 87805688796 Pyruvate 55878085803 2.94E+11 99877319323 1.09E+11 2.72E+11 1.69E+11 4.03E+11 4.48E+11 2.43E+11 1.59E+11 1.22E+11 2.79E+11 1.47E+11 1.90E+11 1.81E+11 2.92E+11 3.03E+11 91923929405 61080175355 5.19E+11 82060944206 3.77E+11 1.41E+11 3.58E+11 1.23E+11 1.43E+11 1.50E+11 4.58E+11 1.09E+11 1.45E+11 2.59E+11 39780220437 97942566169 80225842908 2.47E+11 1.53E+11 2.46E+11 3.46E+11 5.75E+11 1.05E+11 4.37E+11 3.64E+11 1.46E+11 2.21E+11 71095101072 3.76E+11 2.99E+11 2.20E+11 4.10E+11 4.80E+11 3.80E+11 3.86E+11 1.11E+11 2.13E+11 1.70E+11 3.17E+11 99920352623 2.68E+11 2.48E+11 1.17E+11 3.36E+11 4.73E+11 4.02E+11 3.70E+11 1.89E+11 3.09E+11 5.04E+11 7.54E+11 4.48E+11 1.96E+11 4.18E+11 Phosphoenolpyruvate 19272230.89 1882611111 1676443231 909286290.3 1850482930 564611413 1040357902 2095984674 19660243.41 1395295041 1762005895 969713299.9 1595224940 1335646728 241020870.6 2134917375 1359972877 2864291715 4072661730 2364090034 2112625383 273738795.5 3195123929 2118848745 945972399.2 2434027789 1631779661 2880432350 1853642151 1066906718 1387080272 1306401731 988311632.9 2384202873 1236800609 783177009.9 259178359.7 3119828677 651380439.9 2983476632 833237071.2 1911553901 820806603.8 2506139363 1647513017 2200387165 1050765736 616390893.9 3713825047 797502008 1731970817 4476337880 3595409549 1178612530 1772637022 1595987628 2547146193 1127182216 892642053.8 2022006714 1264090378 3933226707 808190452.3 2403691705 823851919.6 376198811.5 3114312841 1435673320 2053721885 2876435414 2341922418 3-Phospho-D-glycerate + 2-Phospho-D-glycerate 0 601737654.3 0 4378324597 128319345.7 3258216033 1361282069 0 130844320.5 508496694.2 163953912.1 249632998.7 23440930.79 385371569.3 471618962.4 54403402.19 2073099215 1941129522 5197213863 752202718 1815682403 639063025.2 1086274700 883821004 653271231.4 3506200245 2504976570 5772146141 0 662440310.9 661259410.4 1142170993 1845977588 298820915.6 1288985287 1375394922 1007788043 694752259.7 1138320075 1590027368 3455694828 0 0 50652053.53 2149775906 1188504471 0 345393114.9 7441375235 2335208166 1138263132 8316630115 1005376658 1787637590 1826321932 3656247445 712788832.5 0 124984841.1 0 396641187.1 2163665409 917048743.7 38505990.78 18281535.65 66253916.8 2042122590 357304771.2 440069062.1 0 893167063.3 PLP (pyridoxal-5'-phosphate) 183259750.4 131878395.1 0 26458333.33 269891891.9 24741168.48 45608079.38 73650246.31 75824543.61 28269421.49 18235262.59 147183187 21609785.2 87000703.73 90648777.58 118072904 151628836.5 138881563.6 111375000 69818233.3 25266707.54 66102941.18 51018846.37 36306472.92 24531316.35 45513690.23 0 61329141.37 0 9471404.775 8082086.168 0 6501067.236 38506732.5 36992389.65 0 8619565.217 24935086.28 6104819.841 18626526.32 18419866.87 7106776.181 0 10414397.78 12712098.01 0 0 12486396.45 36038930.58 13688755.02 0 17499475.34 45675331.56 39804337.35 106096981.9 54043571.81 0 0 0 8250789.889 27407374.1 6676348.548 6280402.01 6834562.212 0 0 15433248.45 0 0 12131324 26514040.93 Quinolinate 10998189548 11265173457 36847104258 11987442204 18148142959 6.03E+11 20437590361 31391141762 13558226673 13158223967 27013388532 9620297992 19958893198 11983460239 44030679785 32636153098 12439920057 12199931155 7848531398 8942804077 15970971796 14658650560 8046901199 10291690885 8799877389 6490484266 13228498504 20399802689 9621634839 11733311494 7269543311 13171704162 11700079509 17496424596 14079260781 10747914669 12450868083 21761099836 17553992045 19760433263 12966499232 21860740246 52760064269 94148179511 25486678918 27001918990 29394079365 34527619656 50590903846 27552074967 16347375486 27790389297 38171370292 12602008193 21528784306 26447727273 39410816582 53112116075 36196422983 26825837678 42882299460 58142150509 17349635678 40165600922 26619317185 15307515937 59688162605 42785331061 31267536631 24978208827 36007747739 Ribose5-phosphate + Ribulose5-phosphate + D-Xylulose_5-phosphate 161045241.8 168457407.4 291942685.6 317870295.7 293908250.4 949705842.4 352289156.6 0 156406186.6 148509917.4 268478027.9 0 147058472.6 111372976.8 343189028 187693803.2 538516773.7 351428821.5 1459390403 200892978.5 214691600.2 386879551.8 126942889.8 148380449.1 114108811 578872905.6 524554337 384022983.5 251075698.9 218848417.5 271443083.9 200411619.3 164322305.2 236173698.4 406484525.6 152531029.6 243164031.6 138850862.8 199703322.4 800278736.8 1315474654 287756160.2 206001179.2 366189201.7 263093925.5 247539189.9 212451012.6 181605219.3 902370075 508207496.7 354628404.7 674158971.7 279909814.3 218246747 89573440.64 301109198.5 219174280.9 219606219.9 252051833.7 165620063.2 161735161.9 893146359.9 132792462.3 301955760.4 124881170 19087520.26 333663877.8 309110516.1 337421371.9 219186760 129565445 Succinate 7.66E+11 5.33E+11 6.96E+11 5.66E+11 5.21E+11 4.39E+11 4.92E+11 6.12E+11 4.49E+11 5.97E+11 7.37E+11 5.59E+11 6.33E+11 6.19E+11 4.04E+11 5.95E+11 5.38E+11 4.27E+11 4.17E+11 4.24E+11 6.36E+11 5.06E+11 4.47E+11 5.47E+11 6.00E+11 4.53E+11 5.45E+11 5.11E+11 6.03E+11 4.80E+11 4.30E+11 5.24E+11 6.64E+11 4.70E+11 4.96E+11 6.04E+11 5.17E+11 4.61E+11 4.19E+11 4.43E+11 6.03E+11 4.99E+11 6.11E+11 4.49E+11 5.69E+11 5.08E+11 7.17E+11 5.75E+11 5.56E+11 6.09E+11 4.90E+11 5.31E+11 6.32E+11 7.73E+11 4.60E+11 6.36E+11 4.55E+11 7.14E+11 6.30E+11 4.59E+11 5.01E+11 3.94E+11 5.29E+11 4.72E+11 6.47E+11 5.69E+11 4.73E+11 4.79E+11 5.14E+11 6.72E+11 5.66E+11 Sedoheptulose_7-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 88990720.91 0 0 0 0 0 0 0 0 20155292.19 611439681 978948395.5 0 0 0 0 0 0 0 0 0 0 11011230.7 27762526.32 721415258.6 0 11867334.91 0 0 0 0 0 4579853659 0 121065175.1 996106505.8 131692838.2 267460722.9 79896177.06 783204948.9 0 0 0 0 0 108867597.1 0 10048847.93 0 0 0 0 197752216.5 0 34519276.53 Thiosulfate 6720760530 11734059259 4575353712 8996735215 78527665718 21155334918 5253708717 17400418172 29481700811 23215890083 8676439443 13856062735 14183857995 19382762139 14287300537 15873196841 12561306924 12927836639 9298507701 11155366365 12569492949 10316228291 21175216448 13653159181 10347941614 19723820188 9883904786 14759512576 8735239140 9934834536 11885362812 10947456943 8010572572 10236840664 16821165906 14612650917 14382948123 13536918652 9466402901 12915496000 9314160266 7779721253 29090903302 10610498385 23909581930 14048924250 73091711002 18827570794 25685906191 52392125167 14032367218 16548579748 21875714589 13421033253 14344012072 24004544917 23742847716 21659907578 27952207824 14349142970 25261646133 16106986043 18373171357 16242806912 41520356490 11265621826 23965533285 30135680136 21769831078 25082140474 20002764874 UDP-N-acetylgalactosamine 64591263.65 0 0 0 0 0 0 0 0 17435537.19 0 0 0 0 0 0 0 14333722.29 0 0 0 0 12110222.73 0 0 0 0 0 0 0 51925623.58 0 44788153.68 0 0 8340620.592 0 44205012.33 0 0 8716333.845 137507186.9 21312500 0 0 0 138061850 0 0 0 0 0 0 0 0 0 0 0 9874816.626 226238546.6 0 156516031.7 0 0 0 0 36333939.61 0 0 0 30550690.15 Allatoin 61665206708 52535775926 1.22E+11 1.26E+11 1.50E+11 93271340353 72842134656 83016279146 95843413793 59039191736 1.64E+11 1.65E+11 1.12E+11 1.55E+11 1.22E+11 1.23E+11 63655383298 93278711202 1.29E+11 83786450736 1.40E+11 49736118347 1.00E+11 1.05E+11 93019006369 71143099714 90413834995 75415233738 68318483441 41123144364 46590982766 74255407087 42924587513 89082010323 61401119229 30462596615 75215436759 77527833607 53103102480 1.09E+11 60533482335 56018159138 52910280660 96624694970 53295664114 44762266702 72391123700 59684659078 68999994371 47192796519 54968413424 43442955404 42779794695 49887520964 1.81E+11 71677278107 1.41E+11 64497213754 72798743276 1.34E+11 1.02E+11 88321639004 58381914573 92982898157 74655364260 63634232847 72607633321 86442205453 67340669155 72656678687 50535277487 O-Acetyl-L-serine 1.26E+12 1.73E+12 1.66E+12 1.56E+12 1.54E+12 1.26E+12 1.10E+12 9.85E+11 1.04E+12 1.43E+12 1.51E+12 1.19E+12 1.60E+12 1.30E+12 9.09E+11 1.34E+12 9.11E+11 7.69E+11 5.19E+11 9.12E+11 1.64E+12 1.13E+12 6.86E+11 9.53E+11 8.73E+11 8.06E+11 1.15E+12 1.21E+12 1.41E+12 8.12E+11 9.65E+11 1.45E+12 8.95E+11 1.03E+12 1.12E+12 9.23E+11 1.02E+12 1.08E+12 1.09E+12 9.05E+11 1.08E+12 1.10E+12 1.68E+12 9.78E+11 1.56E+12 9.90E+11 2.57E+12 1.65E+12 1.24E+12 1.70E+12 8.55E+11 2.01E+12 1.98E+12 1.65E+12 9.28E+11 1.00E+12 7.28E+11 2.32E+12 2.02E+12 1.45E+12 1.44E+12 9.01E+11 1.41E+12 1.69E+12 2.28E+12 2.18E+12 1.17E+12 1.32E+12 1.31E+12 2.13E+12 1.48E+12 N-Acetyl-D-mannosamine 112436037.4 122314197.5 46383187.77 74838037.63 30194167.85 43719429.35 143860382.7 34970990.7 33731744.42 130170247.9 26035369.77 66412170.64 33321002.39 23604503.87 45342277.88 160184082.6 134154175.6 42011085.18 54285545.02 64071913.93 50515634.58 64061624.65 33457452.88 73765521.8 14872611.46 32105026.56 39200398.8 35100173.46 31152258.06 30953359.24 84973242.63 29362999.59 120851654.2 89176840.22 58193302.89 21753878.7 111635869.6 30761298.27 58201684.6 28041263.16 158520225.3 18321355.24 23432783.02 0 61883614.09 17067859.02 48648604.27 12512493.06 31889774.86 20929718.88 83729085.6 47600734.52 60144297.08 19149879.52 14900603.62 11099515.87 12027749.58 11882610.6 18038141.81 13961295.42 16606115.11 11747265.18 75625125.63 39968663.59 28488574.04 82908698 13754456.17 23183057.45 33772748.48 94742195.91 116168491.2 Ala-Ala 380779251.2 263156172.8 198666484.7 136882392.5 118454480.8 14284646.74 186013465.6 136501915.7 112692190.7 119344628.1 284150589.5 101988707.7 162815632.5 137973962 49175313.06 192166464.2 581992862.2 405345390.9 283248222.7 135883918.5 208194359.3 301932773.1 197584808.7 194363936.6 204011677.3 372659583.2 247977567.3 103592367.7 204446451.6 162018878.4 370746485.3 399709105.9 291704909.3 237914272.9 272322171.5 350756699.6 253940711.5 183001232.5 284005615.3 263435789.5 349917562.7 404696611.9 273389150.9 709104291.6 712147524.2 430992635.5 1484865353 1073270961 1342672139 1476985944 1481658074 1181569780 967871618 180394698.8 311484909.5 207036040.9 64850423.01 247009636.4 447329095.4 184718009.5 134865557.6 328506601.3 261497989.9 382456682 274558958 460079956.8 289341578.8 144805744.9 234484367.7 489005382.1 1202692527 gamma-Ala-Lys 63098283.93 92953086.42 2676855.895 65309811.83 63453769.56 87842391.3 121953224.7 123555008.2 10711460.45 92290082.64 43962486.6 67309912.17 127806682.6 117316678.4 87134168.16 149508505.5 81816559.6 59461493.58 46017772.51 4481879.955 132431637 129226190.5 214661336.4 199947820.3 59623673.04 3767470.372 35117148.55 43372506.5 61814193.55 78441976.68 25157823.13 47335393.49 23255602.99 134552513.5 25049213.6 56045133.99 99302371.54 60647082.99 29012634.53 32053052.63 34501280.08 86721252.57 181446344.3 173654822.3 63851965.29 72793792.74 42121510.67 321987229.3 116224671.7 160570950.5 77673151.75 145994753.4 80980371.35 4432771.084 64869215.29 40991393.22 18731856514 126893561.1 53235207.82 52876382.31 129906474.8 81549981.14 151098995 91181566.82 71970292.5 158999459.8 132736995.3 116341772.2 5619225.385 102604413.3 63771061.4 L-Cysteinesulfinic acid 3330911856 2346100000 3510557314 2915583333 2251796586 2414493207 3077162296 2379569787 1762938134 2559204132 1878611468 2761367001 3462113365 3067666432 3047487776 3003029769 2938025696 2498591599 2199131517 2312373160 2889722869 2817232493 2755474586 3293738441 2202964437 2086060074 2183139083 1997932350 2185928602 2430992227 2544646712 2414203956 2908624333 1711583034 3532543379 3532904090 2299999506 1488506984 2287868975 2188135158 2361548899 4501449692 4861662736 2498429626 4136981113 3613570226 4862243021 2552069406 3814003752 1722522758 2766041342 2634877230 2873545358 2095652048 2694080885 2988271114 3303952284 4266713535 3949221516 3949356240 4480136241 5600523199 4186932161 2863828571 3802962066 4259654241 3986834849 3420746349 3644474102 4941701292 4796069015 Cystine 7.39E+11 7.80E+11 1.25E+12 8.40E+11 6.79E+11 3.64E+11 7.81E+11 8.88E+11 4.73E+11 5.80E+11 8.79E+11 9.80E+11 9.47E+11 7.90E+11 1.14E+12 1.32E+12 7.92E+11 9.54E+11 6.23E+11 7.23E+11 9.94E+11 1.17E+12 7.26E+11 1.25E+12 7.88E+11 6.36E+11 5.65E+11 5.69E+11 6.68E+11 6.78E+11 6.69E+11 5.69E+11 8.14E+11 6.62E+11 8.88E+11 8.06E+11 6.30E+11 5.17E+11 7.04E+11 8.81E+11 8.02E+11 1.16E+12 1.50E+12 1.23E+12 1.08E+12 1.45E+12 9.67E+11 9.34E+11 1.47E+12 4.13E+11 9.13E+11 1.13E+12 1.62E+12 8.86E+11 7.91E+11 7.46E+11 6.59E+11 7.33E+11 5.83E+11 7.49E+11 9.30E+11 1.75E+12 1.05E+12 1.20E+12 7.09E+11 8.99E+11 9.85E+11 7.72E+11 1.30E+12 1.05E+12 1.41E+12 Cys-Gly 22215288.61 4467901.235 3197052.402 31690188.17 0 5169157.609 42605953.22 35921729.61 155277383.4 154100826.4 14934619.51 0 13781622.91 41346938.78 167416219.4 31694410.69 32924339.76 0 46366113.74 26271800.68 21918454.94 62189775.91 73670474.01 68145970.94 6091295.117 172644053.9 25298604.19 18088031.22 21177204.3 34323153.8 12912925.17 35693860.73 4938100.32 0 7483510.908 9025387.87 4268280.632 7285538.209 9630322.883 34719157.89 4832053.251 0 2436320.755 44806183.66 119105155.7 47334034.72 15925013.68 61456968.35 0 327347389.6 0 79198321.09 270874270.6 13311325.3 3119919.517 0 28517428.09 13835304.42 0 3362559.242 3580935.252 10127121.84 16658291.46 42381566.82 9738574.04 52571042.68 3746089.487 8697176.241 94094260.38 92730355.22 232288910 Dihydrouracil 756744149.8 478851234.6 3153108624 890079301.1 1018667852 4058718750 475596031.2 1629528736 1367160751 1386690909 1367430868 1149897114 897316229.1 689619985.9 1765390578 1071572296 553932191.3 600299883.3 181200237 148932616.1 628789699.6 690143557.4 690716162.2 1112208058 674102972.4 310379239.9 648036889.3 496581526.5 518917419.4 503308162.1 508350566.9 423079110 335885272.1 1014059695 698234906.1 198388575.5 875148221.3 1374799096 434844174.1 1111622737 354452124.9 2955492813 1761040094 2889585141 1031809086 1492827985 1969228790 2922654081 2637388368 1585711513 1937643969 2692240294 3509032891 655798554.2 877440241.4 970188273.3 2956731303 727492772.7 1292889976 652571485 1232568795 1299554885 1522603015 2135539171 1374733547 975421934.1 2438347399 1513716650 1369572095 1479271259 1780399810 Ergothioneine 886419656.8 6360333951 7898032751 6516690188 4098455903 635693614.1 3090046775 1052039956 6216849899 4710535537 1368449625 703074027.6 2274658115 3451883885 2151927251 2362747266 2332192719 3498024504 9378487559 498848244.6 1839103004 1775812325 10558707025 1211068692 2189735669 476234981.6 1519479063 928436686.9 1215666237 1783727929 1235132880 2170605686 3407368730 2479164273 1648977169 3243254584 2362894763 936827033.7 993903135.2 1244160000 1402638505 3160795688 4419428066 4237373789 3653141909 4406434508 4107880679 1141945586 2256228424 4682613788 1777262646 2968256558 1639864721 1499731084 1198769014 4749039268 626665313 3893886115 1048602934 947551342.8 2691208183 353299886.8 483740201 884517972.4 2368207495 3701076715 1057883230 6234183057 736807279.5 5453794403 1632316040 Glutamic acid 8.77E+11 1.22E+12 1.07E+12 1.13E+12 1.09E+12 8.44E+11 7.75E+11 6.69E+11 7.70E+11 1.02E+12 1.07E+12 8.62E+11 1.10E+12 9.42E+11 6.68E+11 9.21E+11 6.36E+11 5.26E+11 3.80E+11 6.79E+11 1.16E+12 7.98E+11 4.68E+11 7.15E+11 6.38E+11 5.80E+11 8.11E+11 8.42E+11 9.82E+11 5.82E+11 7.16E+11 9.92E+11 6.69E+11 7.15E+11 7.63E+11 6.69E+11 7.13E+11 7.37E+11 7.98E+11 6.25E+11 7.55E+11 7.66E+11 1.11E+12 6.71E+11 1.10E+12 6.99E+11 1.86E+12 1.21E+12 9.12E+11 1.19E+12 5.99E+11 1.44E+12 1.42E+12 1.20E+12 6.65E+11 6.67E+11 5.11E+11 1.59E+12 1.42E+12 1.06E+12 9.79E+11 6.37E+11 9.93E+11 1.20E+12 1.61E+12 1.61E+12 8.48E+11 9.38E+11 9.42E+11 1.48E+12 1.07E+12 Glutathione, reduced 538158346.3 230682098.8 258513100.4 244379704.3 354739687.1 284897418.5 987046066.6 1077816092 2080179006 1980322314 379449624.9 514861355.1 240386038.2 659139338.5 415768038.2 457693195.6 981389721.6 660777713 532309834.1 472916194.8 643047823.4 601748599.4 1339343232 554986129.5 86739915.07 436762975.1 448129112.7 511434952.3 654754838.7 319054969.5 374857596.4 155245570.7 360121664.9 277766158 232583967.5 418088857.5 432034585 695912078.9 553030416.5 914004210.5 461719406 353369096.5 550967570.8 35986155.98 836505870.3 997469226.7 673732348.1 436092171 689712476.5 6588341365 1304035019 685340503.7 672462599.5 339645301.2 165399597.6 725798816.6 614461590.5 101604029.8 110586308.1 270837677.7 205933003.6 409300264.1 668890452.3 478905069.1 758910420.5 578111831.4 1144948345 446963485.9 768351376.6 1736484392 758981913.4 Glutathione_oxidized form 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34583238.96 0 0 0 0 0 45998774.01 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22480542.45 0 0 0 0 0 0 0 0 0 0 37173012.05 0 0 83611167.51 0 0 0 112724820.1 0 57791457.29 0 317936928.7 401636953 0 72375852 0 0 0 D-(+)-Glucosamine 5449338534 3826807407 3116510371 3154713710 2574725462 4024374321 4051641389 3622026273 1323746450 1620717355 3263754555 1617614178 1231681981 3386558058 4248240310 4688486634 4054728765 5131380980 3177159953 6877268969 3820637032 4082500700 3862909195 4580601057 4151349257 2595437679 4230778166 1673192975 3940016774 5334907829 4232882540 1142476308 4937478655 4376036355 4329342973 4280203103 3207606225 3688923583 5749897988 1697505684 6415579621 5781265914 4176721698 4859723581 4802762124 5120553919 4745368911 5912679622 5990355535 4561572289 2058508755 3758270724 4402328912 4537167711 4703667203 4075276493 1091909645 5515496277 5182137897 2111470774 5134437950 3453299887 5839263819 5748801382 6122059415 4018545111 4218299382 9692125122 6646790947 3425991389 5960280819 gamma-Glu-homoCys 275921996.9 962050000 1210475983 43440860.22 561248933.1 4374654212 1116593905 443734537.5 936321501 671534710.7 533175241.2 1840679423 358755966.6 606748064.7 650178294.6 318642162.8 595493219.1 1459092182 2840735190 53366364.67 1011189454 477769607.8 135280411.2 997591149.3 100470806.8 39838577.85 59879860.42 60222463.14 64551827.96 531622432 59806802.72 67976514.22 355681430.1 24672800.72 20565702.69 249267983.1 228380928.9 276277732.1 440299953.2 12526315.79 58908858.17 1131503080 2416494104 766273188.7 659162327.7 966906891.1 523539682.5 1317073848 283256097.6 396173360.1 1075774319 914764952.8 243861008 44398554.22 27597585.51 90388918.77 47984433.16 54961454.23 250944254.3 432190363.3 73442446.04 797377216.1 180679397 1137899539 2681827239 91658562.94 143080756.6 751018013.6 105634157.7 243390742.7 60077582.1 gamma-Glu-homoCys-Gly 12921996.88 46982098.77 21264737.99 79821908.6 11215504.98 0 84226789.51 0 9009634.888 7776859.504 12008574.49 26244040.15 13477326.97 10969035.89 68550387.6 47526731.47 69631691.65 46715869.31 5478672.986 31463193.66 83563458 42944677.87 33076527.7 17660501.98 28219745.22 110816101.3 90364406.78 23837380.75 14498064.52 134691282.6 33710657.6 13000412.03 47942902.88 17648114.9 44676813.8 14583921.02 31157608.7 14507395.23 16433785.68 30003789.47 35481822.84 850263860.4 688024174.5 424860636.8 1077801429 943354550.2 1373597154 2630583009 1729740619 1745429719 1661821984 1839008395 2569364456 201549397.6 112307847.1 63512103.28 27396615.91 42836618.48 22089975.55 165059636.7 108976618.7 73394190.87 89686934.67 131306912.4 175943327.2 103920043.2 510008002.9 426407497.6 536951936.5 982884284.2 1323899572 Gly-Gly 28925653666 48807884568 20295740721 32439013441 34043587482 28719896739 46034043940 26710000000 23420954361 46800073554 31571367631 45238872647 40054502983 533258972.6 16150253429 20164623937 42529471806 23954085181 28393543839 29971133069 43736076640 33900434174 19930254140 27476301189 37922334926 35364288517 39281902792 36092604076 38801279140 38793237646 27406136961 51576026370 29971990928 22422074057 34650122780 38388194640 39687620553 24401850452 35132950866 40126854737 38924956989 28485719713 41351131486 32852267651 52894598775 35822269858 47474938150 742824541.9 2682753283 33333218206 33925362354 42286068730 0 46525595663 29427438632 39732268962 21490124196 63558411301 52458159902 29768601106 391090377.7 20283746888 46403929648 27502486636 72133900366 56213922744 38425519098 45019963973 23233610359 67202397201 707432175.2 Gly-Leu 126470358.8 60841358.02 106102074.2 262851478.5 129595305.8 113950407.6 82219702.34 226101258.9 184694219.1 127111570.2 113298499.5 64214554.58 309897374.7 424398311 316448419.8 282512150.7 275874375.4 180791715.3 60649881.52 19837485.84 172207234.8 182122549 144384351.8 104270805.8 104480891.7 96840212.51 156748753.7 119771899.4 75138494.62 33127151.58 186639455.8 94107952.2 159772145.1 70677737.88 89017757.48 129574753.2 152663537.5 65137633.53 69033692.09 136626947.4 97927803.38 345516427.1 141764740.6 220225196.1 274705972.4 272964755.4 79538040.5 182245419.2 140174953.1 387431057.6 353424610.9 219561909.8 442516710.9 36059759.04 77899396.38 26041958.04 214936040.6 165359176.5 141555990.2 180476698.3 231808003.6 105623161.1 218098995 158791705.1 131731261.4 145109130.2 236623863.2 131418695.2 174746150.3 198036060.3 273159923.8 gamma-Glu-Abu 3915468019 449274691.4 6902886463 9976920027 4909681366 32065425272 56133238.84 12926290640 261978194.7 2357571074 1495831726 5644815558 1435702864 441934553.1 1117853309 5485641555 1455705211 235250875.1 691747630.3 22350509.63 1256321275 757780812.3 794175899.5 441969616.9 864780785.6 1376762566 3569563310 980613616.7 168541505.4 109053303.7 3907768254 287934075 538194770.5 485635996.4 778682902.1 479997179.1 654538043.5 732312243.2 693841834.3 290350315.8 537003072.2 2393803388 1765859080 8268100138 156549259.8 570816412.4 1408996716 97896168.8 995562382.7 2888574967 1626108463 562588667.4 1084355968 824782650.6 1375066801 1083682625 4093831810 421750766.5 276236185.8 647325434.4 645525179.9 1331258016 599394472.4 3034374654 361886197.4 1472473258 3970619862 887311587.1 2206270182 684630785.8 709675868.6 gamma-Glu-Ala 2195700468 2516146914 533252729.3 2649581317 1662173542 2274505435 233474840.5 2431853859 1626327079 3362801653 531832261.5 462299247.2 1227144988 342047149.9 1517762671 683421020.7 576533904.4 490638856.5 171589455 2222163647 1588889025 515163165.3 2189019417 582217965.7 1759306263 1041484266 589018943.2 1429104944 493908817.2 1414437535 1633008163 485862793.6 3827332444 422972621.2 2264609335 3490626234 540471837.9 286941249 2314590080 1744357474 1802445981 269889117 3699761203 4614630365 668660030.6 4384619148 3596217843 2126150472 1274018293 3409971218 4747779183 4726518888 2051781432 1400930602 956732394.4 418529316.8 2676078173 169669294.8 800784352.1 193355450.2 2760119604 1279301018 2787849749 154277880.2 1665083181 1670003241 1922990906 2614198637 2092716286 2371210441 3210730129 gamma-Glu-Gly 1.51E+11 3.26E+11 1.70E+11 3.10E+11 2.27E+11 1.99E+11 1.03E+11 3.64E+11 49949290.06 68065289.26 2.05E+11 1.90E+11 2.80E+11 1.58E+11 1.19E+11 2.30E+11 60460385.44 1.01E+11 1.22E+11 36144960.36 1.79E+11 1.36E+11 85813229012 2.20E+11 1.11E+11 91099504700 1.03E+11 1.88E+11 32360430.11 1.52E+11 79305042177 1.49E+11 1.62E+11 1.28E+11 1.21E+11 36667842.03 1.07E+11 22697617.09 1.21E+11 1.12E+11 1.56E+11 81242299.79 2.25E+11 2.18E+11 1.86E+11 1.31E+11 1.31E+11 1.05E+11 1.90E+11 54101740.29 67020053502 2.25E+11 1.18E+11 1.52E+11 96760759356 73394377084 99861120812 3.72E+11 2.19E+11 1.08E+11 1.86E+11 1.21E+11 92065829.15 1.46E+11 2.29E+11 2.52E+11 1.07E+11 1.65E+11 1.30E+11 2.61E+11 3.05E+11 gamma-Glu-Ser 76407706708 1.81E+11 81261765284 1.59E+11 1.08E+11 82104604620 72079114812 1.24E+11 83080008621 1.22E+11 88382801179 1.01E+11 1.44E+11 99308365939 76652894454 1.08E+11 59735938615 59746400817 39393563981 60004238392 89836817290 60624816527 55265833238 1.30E+11 59855843949 55989279935 73132492522 1.30E+11 45374638280 83193270405 48176373243 66528740832 98262186766 65291655745 53756062405 42745835684 54034948123 63379017256 53674337389 73739808000 85595714286 78702390657 93638678656 68004456391 96272627361 59932283535 86466374932 72047655192 1.14E+11 48831285141 30101472763 1.16E+11 56896031300 49938708916 69010971429 37752129102 55628151607 1.10E+11 1.16E+11 57884165877 1.15E+11 82330737080 95465709548 57839160829 69316527422 85873532685 72753492543 60050665044 51254383108 84037175996 1.80E+11 gamma-Glu-Val 12347554602 40538391975 46205620087 47418009409 39553261024 61766527174 19139600992 26186181171 43613059331 21033079339 39478832262 27431373902 57524351432 19806813512 33089561121 41734724180 12874014989 26424703034 16190452014 22186191393 31728821582 20132186975 20889194175 18366354029 13905668259 16290900695 12023953639 22681158283 23072985806 18612531927 10499485261 24704579728 19082713981 15698659336 18901350583 11672011283 14421535573 21452145440 17333484792 17493343579 18877033794 36245951745 38588208137 28506826027 25486993874 17840832720 37959002189 16608257079 25819218105 16210413655 15038103599 35100366212 20993615385 23730655422 17764841449 15376029048 14718594924 58263459921 27866640098 27759137441 37892455935 37503353452 22960344221 35393976498 36011110603 18766242031 27635930156 20680649464 26836390574 25630532831 55269851023 gamma-Glu-Thr 27495341654 94254156790 63609253821 72044535618 87685400427 85003743207 29788641389 51357396825 47344240365 31613792562 1.22E+11 28529645546 98184969570 32299216045 42959982111 45541236330 30393407566 27883275963 30374098341 27833855040 50270587983 32147475490 17762200457 28047728534 25935177813 28275573355 24302267198 15065915 35670119570 28116423098 30300634014 44059161928 21656529349 24025855925 36104325723 12576473907 23672647233 17893728020 25057933084 26732236632 27119740911 35390086756 26766533019 49501780803 34612129148 10368240926 25947640941 15626197113 31116019231 19432289157 18667415370 37638237146 25029451459 28013631807 24703299396 12758328671 14230750254 78030600526 41615854279 17302833333 41723724820 18899273104 18264228643 27901993548 22875430073 19651359806 17497399418 17531934275 17134944470 34082313778 34530359829 gamma-Glu-Taurine 883525741 2940700617 4771501092 5594053763 2655589616 3877406929 870042523 6309053093 3409186105 150852892.6 7010400857 2833446048 5487862172 2353337087 2033626714 2424198663 978950035.7 692291131.9 999558056.9 1257108154 3965674433 1420832633 1062906339 1506044914 716973460.7 510222313 396845463.6 2203179532 1512411183 327497501.4 735269841.3 2069515039 849423159 970679533.2 541087265.3 239792665.7 750596343.9 1120486853 818226953.7 781564210.5 953215053.8 1546844456 905050117.9 3925603138 2259629403 1173339295 3348477833 2601139922 1735188086 671844042.8 576215466.9 4377980063 2274387268 2003244819 1042338431 6769230.769 1215575635 3016905826 1265578973 1271315956 1518400629 1622417955 1499329146 2599688940 2623784278 2542972447 1894232448 592585199.6 745718152.1 1990086652 2526364588 gamma-Glu-Leu 7712577223 27082275309 19877819869 34986354167 21092276671 26918360054 11553194189 18020072797 23431349899 11500154545 22153538049 15298672522 36666538186 15640023223 18714186643 30967458080 8186132049 15300498833 11407151066 15815468856 23791751073 13756956583 9580997144 12709465654 7344208599 8570907233 5559992024 14718985256 13933526452 11427013881 5437562358 12919638237 10980685699 9244913375 9411340436 7230703103 7978066206 12399285127 9972649041 9722197474 11357511521 19667602156 25122241156 15189939086 19702808065 12580502367 25424977559 18517513048 22814996248 12188001339 10391859922 34291019937 21016829178 11352510361 10416727565 9381434642 5866546531 32010902322 15268742787 14290340442 22163890288 20387803848 15201446231 15395338249 24908764625 12117070232 18774496544 12376567186 15072051797 18086962325 55310873870 gamma-Glu-Gln 3.14E+11 5.12E+11 1.62E+11 4.53E+11 3.27E+11 2.66E+11 4.58E+11 4.17E+11 3.75E+11 5.76E+11 1.32E+11 3.74E+11 4.01E+11 2.80E+11 4.59E+11 3.52E+11 3.00E+11 4.33E+11 5.28E+11 3.05E+11 3.15E+11 3.27E+11 3.58E+11 5.32E+11 2.46E+11 3.31E+11 3.27E+11 3.99E+11 1.96E+11 6.44E+11 1.92E+11 1.38E+11 6.65E+11 4.50E+11 1.96E+11 3.17E+11 1.50E+11 2.33E+11 2.97E+11 5.20E+11 4.41E+11 4.15E+11 2.73E+11 3.27E+11 4.89E+11 4.28E+11 1.84E+11 2.40E+11 1.94E+11 2.03E+11 2.42E+11 1.79E+11 1.88E+11 1.71E+11 2.43E+11 1.70E+11 3.53E+11 1.99E+11 4.71E+11 1.36E+11 5.06E+11 2.58E+11 2.70E+11 2.22E+11 1.12E+11 1.07E+11 1.52E+11 1.32E+11 1.72E+11 2.61E+11 3.66E+11 gamma-Glu-Lys 21257092044 52236409877 121455786 69695147177 231854907.5 108135190.2 65692416.73 36073849480 64073970081 48294214.88 98953376.21 91715181.93 53254150955 167374384.2 27314395945 39905817132 136988579.6 23595004667 17720741114 21797281427 35605490497 22514673669 18266396916 23749656539 20029544586 22068981610 18622612662 35868710321 17408809892 25012881732 17813786848 20143746189 26428090181 18847665171 19845788432 10651724260 17876723814 14546232128 18736785213 27423296842 30693315412 165699178.6 20746533019 24950153669 37222326187 13047585481 19480212370 21964869517 43823506098 17436282463 15238805934 30269018888 22734642971 16188299759 24846338028 13884231845 14285262267 38898250110 37449865037 12283551738 46366122752 30910599.77 16099430151 16368358525 16986135740 12569464614 20894176792 12493786758 10627771349 27137126480 54488344598 gamma-Glu-Met 149070982.8 78909259.26 8135481441 41433467.74 134525604.6 5314361413 1985956060 233604816.6 978196247.5 1603956198 8084895498 6660741531 108182577.6 93152709.36 6723163387 45268529.77 48044967.88 110666861.1 46610189.57 95058323.9 59851011.65 151630952.4 46245573.96 53452443.86 129928874.7 79589701.68 98866899.3 63530355.59 89885161.29 179026651.9 132455782.3 102819942.3 77103521.88 63746858.17 80247082.7 182644569.8 51433794.47 190647493.8 57981750.12 59156210.53 58275985.66 416417351.1 305137971.7 2642011998 314761613.1 844630194.6 329129720.9 1649666297 674475140.7 1339290495 1445538911 589704617 862066313 178548915.7 109677263.6 430592791.8 80768866.33 236706526.5 174832273.8 2873560821 12351970773 210425877 124486432.2 87929493.09 507006398.5 53668287.41 221622771.9 122836416.7 122800746.6 555396124.9 1021198477 gamma-Glu-His 5443855694 16206714815 12729615175 18913752016 95599573.26 14532826766 7996609497 16471295567 16015258621 8184836364 16277691318 8610210790 135503580 9779627727 7770398330 10185598420 9833908637 8701768961 279175355.5 9402030578 15270401594 10752652661 7717596802 10252747028 5905993631 7194670617 8167703888 17150104076 12172750538 9469707940 5713597279 10228112897 11296816969 10011235637 9748640791 6223792666 8557340909 7594232128 9546409920 9734425684 12402444956 10979433265 6027263561 11177934472 11679882593 7115246186 10060024631 6862200999 13292219512 8155522758 6206655156 16485962225 8704245623 8961333012 5232194366 4683932222 5491944501 20130802453 14227103667 7822197867 13214247302 10231910223 7923927638 13247708295 8031467550 5702132361 7780374318 5298990750 7216905273 14161135091 20394617325 gamma-Glu-Phe 4706106864 28612553704 24797246179 23738940188 15935199858 36954483.7 6783989369 25026950192 26456430020 20152892.56 29713048767 12577883940 44054542959 14079949331 14239818128 20374739976 4667139900 4619043174 4572965047 6190949037 15428262416 8287396359 6897727013 10889768164 3529695860 8495709.031 2146288634 8101995663 7189450323 3657171571 1511126077 5953648537 3561269477 5844412926 3754661593 2349686178 13510869.57 7895039441 3504610201 5011090947 5301665131 21984895791 11756835495 13850274573 11960345074 9891330352 23134284072 18127047751 34360267824 11883543507 6485992218 48311193599 30864845623 8705702651 13572233.4 5187385153 6227996616 114642575.6 21362209780 9230178120 19335041367 17748396.83 9350422111 14870868664 22546080896 12644378174 22883417970 10987670399 15061410639 30079642626 47720695383 gamma-Glu-Arg 11984265211 38054107407 10567506004 20354457661 14694055477 13010580842 11621913536 18845053093 22571175456 20054379339 13868829046 14319542033 23955360979 17202092189 14248409064 23753940462 11094272662 8394892649 7977730450 12549087203 16768252606 15051887955 8030208452 17911462351 7373242038 9114922763 9375920239 15009550304 7520763871 11109703498 7445753288 9271580964 11918375133 8948577648 5941000507 5372523977 10786517787 8315197206 11400380908 11817859368 16534244752 12152153491 13376772406 7819143978 7983724349 6384126249 10938406678 230538034.4 4166572233 693871485.9 757103599.2 1753873557 473590450.9 8644088675 11258914688 7388263583 6462633503 17168368375 13345543765 6350723934 17873299460 9736867974 9837351759 9620508756 13273454753 9224530524 10016983994 8008305258 9520072795 16521400969 10830965731 gamma-Glu-Citrulline 5397669267 9979604938 17202436681 8928020833 18776512802 9903040761 6569728561 9325266557 15842034483 12666461983 8486916399 9661465496 19095325179 5298720619 22162846154 13450145200 6393000000 13212781797 11864877370 7126611552 6647204782 5270919468 8467260994 17755920740 3688145966 7637378423 6812445663 12579803556 5275252903 10349210994 2905843084 3216176761 11320688367 10954745961 4929648909 4727189704 2663350296 6346995481 4178708938 10886066105 8239590886 13104674025 10612255307 10310054915 7857033691 4827157812 4094264368 8212921710 1943199343 3866789157 7096657588 5456472718 3640633422 3621445783 4683917103 2151804196 11127253807 3494466929 7002298289 3178716035 5495623651 5431488118 4155847739 10496052535 1507897623 1750393301 4585084031 2442641675 7955786281 2519643165 8616557830 gamma-Glu-Tyr 2386410296 10628782099 11904361354 13752196909 12226928165 5383754076 3574675408 10985142857 12544543103 4215662810 12288775456 5738086575 20160488067 6056177340 6633382826 11672543135 2999893647 2677795799 3759318720 3522946206 6693129982 5048226190 3791328955 6203331572 2628039278 2333761749 1190156530 3729560711 3318411613 2787330927 1235600000 1923532756 1788570971 2221315978 2175755961 1233822285 1510650692 3314378800 2611450164 2950223158 3392082949 7116175051 6044514151 4826307337 5948314957 3356297212 6702262178 8188634092 11899306754 5427773092 4114284047 11868122246 10822986737 3180556145 2804573038 1976996235 3289087310 11520802015 5272429340 2719269352 8143566996 4606955488 3586425126 3563393548 4233895338 3565941653 5561273190 3778821811 4915419972 7225221206 13710366492 gamma-Glu-Trp 235423556.9 896914814.8 1642588974 370245967.7 671368421.1 118826766.3 621119773.2 772846195.9 673753549.7 516127272.7 1051185959 452265997.5 1676639618 672786066.2 847430530.7 795812272.2 485181299.1 460759043.2 630932464.5 486889581 436700183.9 489733893.6 609986864.6 735924042.3 272386411.9 313465876.6 59148055.83 109935385.9 248621505.4 258257634.6 155234013.6 183242686.4 181831376.7 181383303.4 330839167.9 95108603.67 260565711.5 208672144.6 191868507.3 274338526.3 140477726.6 1196117556 761914504.7 809512228.9 592711587.5 708853761.2 319322933.8 492815658 784760318.9 463615796.5 543308852.1 825310073.5 721687002.7 174140241 236674446.7 159111350.2 312006429.8 1005051686 1071069438 429742891 935934802.2 528722746.1 403647236.2 443093548.4 593320841 243953538.6 851006184.1 292520447.9 370972001.9 395388051.7 790046644.5 gamma-Glu-Glu 23074755850 43391146296 25391936135 36044959005 19576360597 26152237772 14240586818 24578579639 25036752028 27024364463 24793046088 25378274153 47472822196 21307201267 15295459750 34426891859 7230910778 4425532672 4265481635 7423081540 19969873697 11172681373 7590161622 13525407530 5851562102 13095627.3 4449364407 10636620555 5402997849 3393917268 4007745125 6948865678 5826745998 5628000898 6695114663 12505641.75 4491481719 6878279376 6671610201 5623981053 6569456221 12724306982 16505564269 13987569451 15814005105 8194196213 24813098522 21449205441 16099820826 9315235609 5933356518 27150980588 21746520955 6414164819 5266957344 5346240990 5778147885 22050695576 20281597555 11022511.85 15455774281 8408236515 10712649749 0 16542243144 0 11814665697 9730760467 12370309846 24888041981 29112554974 Hypotaurine 3315234009 2115070988 824957969.4 5019421371 6666921053 3993958560 3648433026 909617405.6 2173784990 15561651240 1126424437 1286860728 2559022673 1315335679 2639940966 252676184.7 7385950036 2751817386 1674945498 2490476217 1515217045 4170412465 1729025700 3243221268 2892698514 4009891295 6815574277 3641246314 2709868387 3102389228 1660349206 2445803461 1430735326 2153688061 5402092846 4303210155 2977867095 732080525.9 1199947590 494240842.1 2396085509 1919889117 2682866156 2540323489 3202379786 1000292478 241283524.9 1614300389 1973483114 1009653280 1055039397 2101371459 355166578.2 5868632771 1789952918 2701138784 4220169543 2652777048 797617603.9 455611374.4 989605665.5 377407770.7 3619134673 838736405.5 3401433272 2486506213 2740567843 2697859786 336851143.3 790308934.3 1965050928 Homocystine 299173947 376705555.6 821626091.7 250746639.8 529729018.5 1363892663 244395464.2 437399014.8 478603448.3 310311570.2 367686495.2 509245922.2 379899164.7 218267417.3 686435897.4 446314094.8 188306209.9 322228121.4 307565758.3 231126840.3 258737584.3 267140756.3 222383780.7 423649273.4 612365711.3 317390682.5 256234297.1 402162185.6 313140645.2 316244308.7 301017233.6 407053152 338094450.4 457446588.9 466280568.2 320469675.6 296139328.1 409537797.9 285717360.8 453329263.2 272344086 165229979.5 80373231.13 138693585.6 6517611.026 35107311.94 10068418.17 0 31427767.35 9980589.023 0 0 0 340358554.2 324088933.6 387538461.5 262519120.1 57699956.2 31886063.57 36806477.09 59218974.82 69133157.3 53894974.87 211748387.1 31374314.44 21965424.1 58444161.51 18814021.42 55445170.32 59574811.63 0 DL-Homocysteic acid 41535881.44 65530864.2 112884279.5 202752016.1 91876955.9 4607048913 3417112686 119699507.4 1871453854 1476738017 67024651.66 124584065.2 118367541.8 109674173.1 133613595.7 101044957.5 249770164.2 73857059.51 50038507.11 109646659.1 83668301.66 170331232.5 115119931.5 84381770.15 34070063.69 25163465.47 20695912.26 364829575 30476559.14 15394780.68 51255328.8 21686856.2 22554962.65 31982944.34 20943176.05 0 53997035.57 393389482.3 27546560.6 54303157.89 38979006.66 59345482.55 47664504.72 316685279.2 266723838.7 79710678.59 50720853.86 63743475.85 50050656.66 1695854083 99891536.96 150875655.8 48491777.19 41517108.43 10136418.51 205475524.5 67952284.26 142842312.7 15989731.05 30626777.25 20167266.19 48989437.95 43582914.57 113783871 303995886.7 136560778 237044379.8 54981986.37 24339244.05 1501700215 344550214.2 3-Indoleacetic Acid 14769882215 6073005556 41581328057 29639773522 1.29E+11 2.26E+11 11603688164 10070547345 40949081136 7907900826 48791080922 30595553325 61445384845 20228541872 1.80E+11 55961603281 69130097787 84560802800 57542312204 27061110985 30780412017 98844399860 38921486008 41354652576 11795943737 29753015938 17545433200 72639946661 31508375914 29902668517 18621201814 25442880511 15652823372 35923601436 30455105023 31029273625 36652721838 63561287182 23916317735 22821454737 18525810036 12780229979 25243587854 45608206737 20255824911 24092875329 28119253421 57247137701 74801585835 35097068942 68977553988 73039780693 36427958090 14257613976 28059095372 14384409360 46706414213 57214360929 10311067482 16218539494 13054209532 16307497548 23395360804 51969259447 20699669561 13899525662 38094852310 24108424537 48564378441 46417516685 34832456925 Lanthionine 161677067.1 32800617.28 45896288.21 114037634.4 91425320.06 126337635.9 52609496.81 187505747.1 55048681.54 97397520.66 100803322.6 89399623.59 0 28073187.9 269867620.8 27424058.32 112569593.1 209579346.6 29743483.41 56490939.98 21160024.52 121257703.1 69848086.81 17951783.36 673106687.9 153365345.3 125154037.9 172656114.5 222070967.7 50590782.9 52327437.64 363872270.3 226089114.2 50755386 313641298.8 180719323 160915019.8 73618323.75 147127281.2 61136842.11 28844854.07 1576872177 2548492925 431808029.5 1722347626 2980177275 278029556.7 5516737923 463840525.3 1762986613 1212199903 1404238720 727438196.3 521636626.5 373896177.1 564744486.3 565293739.4 40042487.95 85502200.49 41692338.07 81386241.01 75509996.23 159079899.5 311710599.1 718898080.4 835676391.1 415370316.5 1222911879 507545030.3 611113024.8 1498161352 Leu-Leu-Tyr 69638065.52 148882716 229796943.2 178770833.3 124146514.9 97365489.13 86964564.14 22641488.78 29859533.47 23751239.67 155802786.7 77933500.63 159547136 134781140 199500298.2 91117253.95 12530335.47 70795215.87 36462085.31 110450169.9 95467198.04 224556022.4 120042261.6 127274108.3 10249469.21 171230077.6 17145563.31 10318300.09 35004301.08 52937257.08 0 40253399.26 14939167.56 0 128293252.2 75215091.68 0 76575184.88 76113710.81 13455157.89 12301587.3 77029774.13 51902122.64 31471158.28 254114854.5 32046291.43 185611932.1 110649083.8 284405253.3 32476572.96 137825389.1 103928646.4 189066843.5 52369156.63 48352917.51 37551371.71 90385109.98 189125711.8 94400978 4033965.245 98994154.68 76096944.55 52175376.88 28301843.32 143565356.5 45044300.38 99922153.51 10832035.05 155370975.3 168877825.6 107702522.6 N-Methyl-Arg 6282503120 5623028395 3827329148 5258827957 6753251778 5312986413 6802876683 4770241379 4212380325 7002695041 5573026259 6494720828 5082552506 6040255454 4918967203 5128748481 7049315489 5448051342 5016498815 4243043035 4599740037 6186238095 4542838378 5064509908 5778230361 4167788721 4646361416 4438271032 4289100215 4615102165 4170269841 3575495674 5321168090 4374086625 5063470827 6484788434 4980838439 3909804026 5480115583 4574991579 5737970814 6410193532 7424491156 4480902630 6114615620 5890325092 6711288451 5269528040 5520484991 6870485274 5417892996 4474209339 3783161804 3964177831 3501408853 4745381388 3850738409 5579749452 5523233252 4722731833 5326459982 4417519804 5993770352 4985260829 5607544333 6363855213 4535011641 6529082765 5200263649 6279699677 4705555926 3-Methyl-L-His 2448794072 1782835802 8330959607 1068895161 2988853485 3610898098 1183234585 3222504105 4837554767 1150110744 2114141479 7583746550 9905354415 1420988740 5540166369 1662651276 1336507495 1623246791 4744305095 2208021518 2876843654 5737471989 2560348372 1971228534 2032634820 1797943196 2216558824 3281239376 1589481720 5250534148 1950988662 2735980222 1614056030 2295946589 1388085743 1750122708 1425291996 1508391126 4391359850 2811172632 1679406042 1922524641 2213692217 6464830641 4200752425 2228001578 10147141762 14839546918 10805951689 2609198795 41109551556 6774860965 6663287003 2506800482 2657813280 1291097364 3484964805 6670787122 1572054279 2676103476 3167258543 2515482082 1954636683 23915457604 1124304845 1113160454 2154226628 1946546738 1006163322 1481846071 6973603522 Methionine Sulfoxide 16296904836 13440809877 20446084607 23098169355 4022134424 16370997962 14213111977 6357431856 11483436613 11612664463 24502271168 20877784191 21253659905 23729593948 10467652952 11416165857 10350916488 12515190198 11727975711 14437140997 15126303495 10688063025 8341207881 9215918098 15374281847 11137947282 10569815055 10783158716 10381117419 14958184342 11411958730 17622166873 11531463180 7191207361 12287960426 8958199577 7630040514 8306594906 7648281703 11984466526 6863431132 14617170431 16404016509 22428784956 10378864216 5806345082 12474185003 282714603 6769506098 14698961178 13479302529 6979605456 16845271618 8279148434 17366578672 11442494352 15301503892 13063897065 19351844010 12229741706 14546862860 7486482459 9481935176 11081801843 14114546618 12634512156 10565281921 13299795521 10538030331 9938141550 8359623989 Ophthalmic Acid 1730613885 657358024.7 1643643559 1044793683 2301053343 9732955163 1044868887 1402598248 3283840771 4983396694 1075319400 2562793601 1071805489 1067104856 2449794275 2274133657 2810278373 1099975496 1399000592 924590034 817573881.1 2032320728 1158556254 1242018494 2899062633 1383440948 2079426221 1101005637 408734193.5 1614210994 1894244444 1457798929 524117395.9 603542639.1 1622572806 333428067.7 600492094.9 1185589154 731220870.4 2431768000 652383000.5 1216761807 4376508255 28520874481 641873404.8 463103103.6 683189928.8 514661299.3 315125234.5 1128042169 1358460117 814604407.1 403687533.2 1997123855 767532796.8 577320064.6 636768189.5 169185282.5 458184841.1 197617298.6 345664568.3 913533760.8 222292462.3 4740323041 70581352.83 852199892 635376864.3 617716650.4 1399877275 519665769.6 861683008.1 2-Picolinic acid 129585023.4 153725308.6 204073690 381095430.1 38112375.53 278384510.9 1085762580 111495894.9 34989350.91 116398347.1 148337084.7 182181304.9 143790572.8 131306826.2 46732856.29 116641555.3 184542469.7 114489498.2 47189573.46 135178369.2 158803801.3 111727591 71491719.02 101260237.8 529029193.2 39610543.52 129673479.6 168531656.5 74325161.29 113133814.5 202523809.5 83412855.38 24824439.7 175371184.9 222565195.3 193072637.5 228333498 316451931 507802526.9 297302315.8 379684075.8 256802361.4 284260613.2 65901245.96 135038795.3 95770647.03 243237000.5 421026096.6 483588180.1 128866131.2 206603112.8 125674186.8 250323607.4 392387469.9 21496579.48 424278644.4 118831810.5 183043802 214208802 417719984.2 218040018 33293096.94 178392462.3 184940553 305008226.7 113683414.4 372224809 154241966.9 368413905.7 50283638.32 50014278.91 O-Phospho-L-serine 79460218.41 323851234.6 466610807.9 233407930.1 179329303 278606657.6 58291991.5 191005473.5 381672920.9 112917355.4 137503751.3 157656210.8 235511336.5 157881773.4 67446034.59 185955042.5 117251249.1 108708868.1 64648696.68 109241223.1 188090741.9 113418067.2 107098229.6 125294583.9 150287685.8 58532488.76 299316550.3 225665221.2 198850322.6 146943920 228242630.4 219405850.8 235897011.7 207710951.5 236081177.1 142244710.9 94561758.89 118677485.6 136961160.5 145017684.2 106407066.1 103161704.3 514548349.1 134417628.1 571216947.4 177214097.8 150053092.5 150491948.9 168997185.7 142172021.4 415995136.2 439514165.8 336944827.6 293550843.4 258618913.5 343636901.6 115902199.7 114893999.1 572545721.3 537796998.4 61982464.03 168168238.4 63606532.66 200957603.7 568391224.9 260600216.1 335627864.7 169100292.1 41586560.9 205525296 352652070.4 2-Succinyl Cysteine 879482839.3 2232032099 4605264192 1154994624 1446835704 5657905571 961748405.4 5096382047 2539898580 1217698347 2155028939 2799555207 4616731504 1398513723 4169086464 2903958080 1115160600 756560676.8 1386174171 732310305.8 1176023299 1304690476 1529334666 2061618230 1288240446 398594197 336934197.4 823748482.2 541361720.4 443616879.5 386320181.4 516780387.3 686541622.2 894557450.6 930901572.8 457941466.9 590499011.9 1234585867 517615816.6 929517052.6 543363543.3 3088566735 2662481722 5834438394 1619010209 1710392425 2391590586 1477995558 3185335366 1127074297 1426389105 1718766527 1867595756 457476626.5 572012072.4 685681549.2 1305707953 1219815155 1641436186 1077943523 2898549910 2441036590 1608475879 3746732258 1342001828 1387310643 3347373590 2055520448 2310041531 2292762110 1990288910 Taurine 2.65E+12 2.54E+12 2.39E+12 3.97E+12 2.38E+12 3.31E+12 3.23E+12 2.23E+12 2.14E+12 4.48E+12 2.57E+12 2.58E+12 2.35E+12 2.79E+12 2.16E+12 2.00E+12 4.05E+12 3.46E+12 2.27E+12 3.03E+12 3.54E+12 4.65E+12 2.80E+12 2.76E+12 2.63E+12 3.80E+12 4.20E+12 3.76E+12 3.01E+12 2.79E+12 4.90E+12 4.31E+12 3.17E+12 3.05E+12 3.10E+12 2.76E+12 3.54E+12 1.89E+12 2.48E+12 3.66E+12 2.17E+12 1.32E+12 1.71E+12 2.97E+12 3.83E+12 2.40E+12 2.12E+12 2.15E+12 1.64E+12 1.48E+12 1.69E+12 1.98E+12 1.95E+12 3.54E+12 3.30E+12 3.43E+12 1.94E+12 1.57E+12 1.29E+12 2.38E+12 1.84E+12 1.83E+12 3.68E+12 2.62E+12 2.44E+12 3.79E+12 2.49E+12 1.59E+12 1.32E+12 2.03E+12 1.29E+12 Thiotaurine 18906396.26 326220370.4 117526200.9 470061155.9 2808120910 4568010190 249891566.3 619216201.4 2079467039 3237431405 937069131.8 95577791.72 182606205.3 131731879 200283840.2 50803159.17 13344753.75 189558926.5 248137440.8 8789354.473 17667075.41 144616946.8 352292975.4 507174372.5 514508492.6 507617490.8 463198903.3 22993495.23 206799139.8 143516379.8 10158730.16 207186650.2 5862860.192 7934919.21 13107052.26 167244710.9 407440217.4 142736647.5 3322882.546 296464421.1 185825908.9 11828028.75 274112617.9 1189010152 4440020.419 42198316.68 336497536.9 280245974.5 485301125.7 633009370.8 339927042.8 491262854.1 12667904.51 175430361.4 14116297.79 119250672.4 456847715.7 144710468.7 352619070.9 114048973.1 127846223 47425499.81 407439698.5 51509216.59 281578610.6 126466774.7 3033830.484 9834469.328 37768082.13 275413347.7 426349357.4 Uric_acid 1.63E+13 2.22E+13 1.51E+13 2.06E+13 2.30E+13 1.86E+13 1.42E+13 2.24E+13 3.05E+13 1.32E+13 1.46E+13 1.82E+13 1.20E+13 1.79E+13 3.09E+13 2.29E+13 1.61E+13 2.56E+13 2.10E+13 1.96E+13 2.18E+13 1.73E+13 2.84E+13 2.11E+13 1.50E+13 2.02E+13 1.65E+13 1.81E+13 2.33E+13 1.66E+13 1.53E+13 1.96E+13 1.45E+13 2.88E+13 1.39E+13 1.11E+13 2.12E+13 2.39E+13 2.05E+13 2.51E+13 1.69E+13 2.49E+13 1.93E+13 2.66E+13 2.19E+13 2.59E+13 2.23E+13 3.30E+13 2.37E+13 1.86E+13 3.00E+13 2.64E+13 3.16E+13 1.46E+13 2.00E+13 1.48E+13 3.10E+13 1.52E+13 1.49E+13 3.08E+13 1.51E+13 2.26E+13 1.55E+13 2.81E+13 2.22E+13 6.31E+12 2.66E+13 1.97E+13 2.04E+13 2.16E+13 2.68E+13 Urocanic acid 2598939426 3035561250 2848437611 3118727312 3077144281 2973186704 2661313973 3659306712 3596932166 2806854581 3139518827 2993978219 3264267920 3784055805 2973186704 2827646096 3326642466 2765271550 3409808527 3181101858 2910812158 2931603673 2723688519 2786063065 2266275180 2723688519 2619730942 2744480034 2848437611 2827646096 2619730942 3056352765 2910812158 2328649726 2640522457 2993978219 2744480034 2349441241 3243476404 2952395188 3555349135 3721681259 3784055805 3950387928 3721681259 4137511567 3991970959 4594924906 5592917646 4324635206 4594924906 5031546730 4678090968 2827646096 2682105488 2349441241 3160310343 3243476404 2806854581 3659306712 2890020642 3409808527 3347433981 3409808527 3347433981 3534557620 4283052175 3700889743 3389017012 3264267920 4345426721 Xanthine 549676287.1 737578395.1 894823144.1 582071908.6 919109530.6 499795516.3 971954642.1 1220782157 2868387424 692657024.8 708592175.8 1191426600 2826860979 939235749.5 504556350.6 1604309842 457881513.2 489956826.1 683429502.4 645486410 1151404047 336070728.3 713134780.1 804234478.2 447914543.5 422110747.9 373142073.8 757709019.9 352851182.8 479915047.2 610944217.7 442501442.1 317012273.2 507830789.9 451282090.3 252342031 398036561.3 295189811 248796911.6 460768842.1 396180747.6 697435831.6 787764150.9 1941511767 682379785.6 714464492.4 613481663.9 1126666852 3223534709 495340696.1 782394455.3 3047686254 2552091777 296592771.1 507556539.2 233174825.2 350679187.8 393823477.9 590066503.7 364102685.6 1031124550 506233874 584360804 6320376498 412868372.9 862127498.6 1077186977 658444011.7 689814745.7 1154865447 2039725845 AMP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4939478081 0 0 0 0 6763529062 0 0 3319646560 0 3375918710 0 3310798186 4447085290 0 0 0 0 0 0 0 2790799579 0 5340622690 5506130896 4209711121 16003205207 4794230405 2668704433 3238896724 3414916979 0 3883111381 3725969570 2837636605 0 0 0 3611046362 3403248357 4262334474 3035831359 3300865108 3218915126 3125745729 4392879263 3225686015 3773150729 2624579120 3574491237 3185514699 3399625404 3818334127 ADP 312102184.1 442361111.1 616014738 8161072581 445774537.7 5666767663 589677533.7 490822660.1 326860547.7 356599173.6 246722400.9 378737766.6 326377088.3 455208304 226900417.4 323891859.1 663584582.4 303439323.2 298789691.9 391857870.9 460134886.6 437800420.2 381051970.3 500609643.3 40488322.72 227528810.8 211131605.2 207051170.9 300802580.6 52412548.58 177939229 170179233.6 301083778 23703321.36 212488077.1 260859661.5 1926366107 113601479 130985493.7 191750736.8 180525857.7 685976386 111206367.9 165285648.4 6823756508 1152891110 0 148260966.1 41655253.28 4394461847 201344358 311115949.6 236040318.3 197101204.8 108627364.2 2446022055 469735025.4 342627244.9 446591198 265147709.3 329574190.6 262653715.6 106908542.7 327848847.9 339249085.9 713083738.5 48166242.27 36015579.36 174371908.5 281004305.7 182652546.4 CMP 0 0 26487445.41 0 0 0 12263642.81 0 0 0 7495176.849 0 9403341.289 0 0 0 38612419.7 0 0 0 172582464.7 0 18164477.44 0 0 281852881.1 28983549.35 0 0 197290949.5 0 0 22561899.68 0 0 0 33035573.12 0 0 0 39031234 12042607.8 0 0 183529862.2 78347185.69 0 0 13093339.59 18718875.5 16214007.78 0 15299734.75 0 15767002.01 0 13531641.29 0 0 0 0 60795548.85 0 18163133.64 0 13996218.26 0 0 35363975.73 0 0 Citrate 6.61E+12 5.26E+12 1.06E+13 7.00E+12 5.18E+12 6.21E+12 6.60E+12 1.17E+13 4.64E+12 6.64E+12 9.06E+12 7.66E+12 1.10E+13 7.46E+12 8.28E+12 7.16E+12 9.59E+12 5.55E+12 8.34E+12 8.52E+12 7.19E+12 6.84E+12 8.82E+12 9.63E+12 7.08E+12 7.48E+12 5.48E+12 7.00E+12 6.84E+12 8.14E+12 6.10E+12 5.84E+12 9.32E+12 6.63E+12 7.12E+12 6.86E+12 6.34E+12 8.29E+12 6.86E+12 6.15E+12 6.78E+12 5.59E+12 6.99E+12 5.59E+12 8.41E+12 8.85E+12 7.36E+12 9.23E+12 9.37E+12 7.82E+12 1.04E+13 1.00E+13 8.99E+12 5.62E+12 6.59E+12 6.49E+12 4.20E+12 4.59E+12 6.17E+12 5.89E+12 6.00E+12 8.41E+12 5.32E+12 5.96E+12 5.07E+12 6.54E+12 8.96E+12 4.08E+12 8.80E+12 6.28E+12 8.94E+12 dGMP 567359594.4 581682716 752730349.3 9720752688 567229018.5 6470465353 1019425230 674414340.4 474576572 692080165.3 727515541.3 512790464.2 474801909.3 563370161.9 644815742.4 562905832.3 942079942.9 548985414.2 554270142.2 601180634.2 654786634 633058823.5 671612792.7 791832232.5 333960191.1 342788312.2 376913260.2 298318733.7 414768172 345364797.3 327610884.4 430615986.8 367101387.4 346535457.8 376581430.7 469471086 2464596344 294730895.6 332116518.5 406202526.3 349808499.7 1263419405 570825471.7 548159206.3 8526017356 1256724882 137522714.8 613600777.3 333758442.8 5587818608 277493677 441602308.5 497436074.3 321132530.1 197666800.8 3456038731 887147208.1 504405606.7 829427872.9 450189573.5 443539568.3 618550358.4 448126130.7 540256682 526127056.7 980808752 309616587.9 283157741 463710686 581025834.2 639214183.7 D-Glucosamine 1-phosphate 5845639626 3613767284 3062971616 6934975134 3036797297 7044855978 3426273565 4044432403 6308192191 3930313223 4321562165 3869994354 3759634248 4989707952 2405435897 5869089915 3395137045 4621365811 4251760071 3399166478 2927189454 5214435574 2958962878 3478450462 4782972399 4009883940 6084743270 3466307025 2744248602 1982660744 3077755102 2978336218 1877704909 1571565081 3048278539 1920822990 1949930830 2368729663 2433913898 4039965053 2511210958 2630908624 2772610259 3198425473 3387664114 2089855865 3113269294 1339017768 2482213415 1977476573 2248898833 2088451207 2083280106 2097316627 2295284909 3522379236 3215920474 2455819974 4199775550 2817183254 2754295863 3036612976 5108091960 4673688940 3009697898 5286178282 5646627501 5599339338 3645184788 3085454252 2098259876 dGDP 302552262.1 442751851.9 610001091.7 8162847446 444154338.5 5591194973 601605244.5 489419813.9 296084178.5 364861157 252158628.1 384782936 329538186.2 432513019 199149672 280879100.9 665281941.5 298133022.2 304753554.5 379859003.4 446278970 450168767.5 379030839.5 506040951.1 19907643.31 228599918.3 210920737.8 207372940.2 284772473.1 52880066.63 157605895.7 160063040.8 244328175 23665619.39 195398275 261653032.4 1936267787 116491372.2 134370145.1 183329684.2 175601638.5 674874230 113233490.6 137149515.5 6748850944 1122683851 0 132121599.1 42496247.65 4402603079 190644455.3 314990556.1 237937931 206498795.2 114127565.4 2410983862 469759390.9 346850197.1 458296332.5 240981437.6 334671762.6 264677480.2 111557286.4 331348387.1 340165904.9 641893571 48796653.33 37201071.08 180135324.3 262122712.6 146528319.8 Iso-citrate 2.44E+11 3.26E+11 6.35E+11 3.70E+11 1.97E+11 2.08E+11 2.87E+11 6.74E+11 1.83E+11 2.77E+11 4.41E+11 2.76E+11 6.02E+11 2.47E+11 4.19E+11 3.97E+11 4.65E+11 1.66E+11 3.79E+11 3.10E+11 2.56E+11 2.93E+11 3.05E+11 4.13E+11 3.87E+11 2.71E+11 2.19E+11 3.05E+11 3.71E+11 3.34E+11 2.44E+11 2.14E+11 3.32E+11 3.50E+11 2.76E+11 2.15E+11 2.12E+11 3.40E+11 2.71E+11 2.64E+11 2.50E+11 2.85E+11 3.30E+11 3.27E+11 3.12E+11 4.92E+11 2.86E+11 4.29E+11 3.73E+11 3.13E+11 4.83E+11 4.54E+11 4.20E+11 2.94E+11 2.88E+11 3.23E+11 3.42E+11 2.08E+11 2.65E+11 2.93E+11 2.54E+11 4.66E+11 2.41E+11 3.27E+11 2.46E+11 2.80E+11 5.10E+11 2.10E+11 5.45E+11 2.66E+11 3.23E+11 Itaconic acid 7128555382 12297437654 12871871725 9012010081 10027211949 17407924592 11894506024 29174615764 11824088235 11339167769 12713125402 9284918444 11678402745 9474940887 11522051878 9892950182 10055557459 7092062427 23044261256 11241998867 6179828326 8452751401 14913876071 11215950462 10389970276 6127951778 7170099701 9574591500 6549790968 6355082177 6896287528 6181894932 6944030950 10753729803 6224791984 5690569817 8541885375 6941581758 9218721104 7544797895 7525680492 20526742300 11460812500 14916925704 10241917305 8016539716 10257072797 8954001666 10758050657 11225515395 11673132296 9895220881 8466731034 6841312771 6506185111 7946173749 68576924873 6036397722 7185585819 5919428120 7033077788 9871222935 9773449246 11447906912 7335195612 8126567801 10123075664 10709359786 11346226785 10072851453 13628504998 cTMP 0 0 0 37635752.69 0 0 20825655.56 238175697.9 215388438.1 0 0 0 0 0 0 17983596.6 0 93987164.53 0 21212344.28 648255671.4 9495798.319 47460308.4 177182298.5 0 11194523.91 22167497.51 109836079.8 47237849.46 56197667.96 0 0 388930096.1 96548473.97 0 569460507.8 31296936.76 189679539.9 190149274.7 78960000 222257040.5 0 0 188274111.7 480028586 308549184.6 0 0 29376641.65 38645247.66 28693579.77 59763378.8 43070557.03 48367228.92 0 143017751.5 0 15692509.86 17149633.25 36919431.28 36089478.42 238600150.9 0 248576958.5 0 0 10697344.49 51483933.79 24199720.02 153195909.6 135421228 UMP 0 0 0 7767473.118 0 7547554.348 24362154.5 9886699.507 11675963.49 0 0 0 0 0 0 9241798.299 128149179.2 21784130.69 38444905.21 0 198625996.3 8878151.261 13761279.27 9249009.247 0 186943195.7 7389830.508 151423243.7 18409462.37 79597445.86 0 0 261678228.4 9247307.002 0 80174894.22 179153162.1 15140920.3 9307440.337 0 275353302.6 0 0 30192431.93 738391015.8 132299842.2 0 0 0 49362784.47 0 18115949.63 10559151.19 15539759.04 0 39749865.52 0 0 0 0 0 11900792.15 0 7956682.028 0 0 0 35229795.52 16049463.37 0 16643027.13 Butyrate 28527449298 20553598765 10164491812 26911210349 32837774538 36492747962 19210646350 17896592228 18929995943 21419359504 29823376742 23855134253 30595905728 39218811400 21451364341 20717171324 17194412562 26688771295 26886571682 20538483012 31608581239 11303535714 21416968589 60473164465 27093212845 25233227626 31067347458 27902939289 30793320860 27485317601 16351554195 26078037907 36603736926 20414078546 24091997463 45235387165 33488650692 18299704191 46598525035 53306498526 71187610343 17106227926 32013940448 18643823719 30409347626 22053229879 24180388068 24148514159 24781454034 27611023427 30761344358 34193384050 26796923077 28640724337 29317072032 38517216783 1.28E+11 10954836180 18763395599 24402560427 8659330486 24881481328 21616118593 17545909677 31664116088 18605348460 15548313569 25883341772 41570067196 37428501076 68191330319 Pyrophosphate 3244351794 1631185185 2997805677 29111898522 3216059033 9826507473 2488605953 565527640.9 1764222617 1516192562 2188633976 1992577792 972400358 1025955665 4312185450 1656394897 5643944325 1671485414 1033259479 2139100227 1434471490 2278607143 1577502570 2440271466 2191889066 1243260727 817311066.8 910973113.6 1703369462 2208687396 1884609070 1427432633 1099954642 1329613555 1282364282 1593478843 11857781621 1253613804 1148194197 1453571789 1914370712 2972463552 1531061910 1901743424 10013471159 5880943714 0 1485477512 2572606942 13386204150 843710116.7 3229964323 2191518833 1644820723 1104091348 1976544379 3500317428 1686351730 1999807335 909558846.8 2407156475 2218361373 1843235176 2270923963 899036563.1 2235029714 1114610768 966277020.4 1560357443 1829234123 2957283198 2-Furoic acid 3.92E+11 3.19E+11 6.43E+11 4.30E+11 3.15E+11 3.82E+11 4.04E+11 7.06E+11 2.90E+11 4.19E+11 5.71E+11 4.83E+11 7.03E+11 4.80E+11 5.42E+11 4.72E+11 6.05E+11 3.40E+11 5.01E+11 5.18E+11 4.38E+11 4.18E+11 5.41E+11 5.77E+11 4.05E+11 4.36E+11 3.26E+11 4.22E+11 4.18E+11 4.75E+11 3.59E+11 3.51E+11 5.71E+11 4.07E+11 4.12E+11 4.20E+11 3.74E+11 5.06E+11 4.09E+11 3.80E+11 4.11E+11 3.32E+11 4.11E+11 3.30E+11 5.08E+11 5.26E+11 4.42E+11 5.59E+11 5.61E+11 4.65E+11 6.47E+11 6.05E+11 5.47E+11 3.15E+11 3.73E+11 3.74E+11 2.44E+11 2.57E+11 3.57E+11 3.41E+11 3.43E+11 4.84E+11 3.08E+11 3.52E+11 3.01E+11 3.81E+11 5.49E+11 2.43E+11 5.34E+11 3.73E+11 5.43E+11 Citraconic acid 4449819033 5474605556 10092333515 5012057124 9284759602 8658702446 6026268604 10431263820 9688817444 4799381818 4062186495 8166048934 10737383652 5236686137 12029925462 9685104496 10382042827 6645242707 9911557464 6439328992 6368161864 8922399160 17070598515 12592554822 5122186306 5815296690 5405040877 6556837814 6500884731 8980066630 3754633107 5409750309 5461691035 7577260772 6858725013 4034933004 5286294466 8439364010 6876802527 7719135158 5604585765 8495949692 10163635613 19216827411 7139156713 9020937401 8229880131 8831619100 7802776735 9775881526 12280160506 8877904512 7468736340 5925891084 5236672435 10858919311 6016381387 7000277705 6187350611 4599037520 6879638040 12419841569 6733450754 18875304147 4645153565 5368264722 8398384503 13265507790 12188462902 7303044133 7980272727 D-4'-Phosphopantothenate 0 0 6930676.856 6050403.226 0 0 73116938.34 0 184325050.7 48814049.59 0 9876411.543 28281026.25 18165376.5 0 0 107284082.8 210386231 249572867.3 116473386.2 75947884.73 59418767.51 177711022.3 0 0 218013077.2 207737288.1 139559410.2 41001290.32 10963908.94 231570521.5 287876390.6 12062966.92 15927289.05 50596651.45 14893511.99 43886363.64 0 8702386.523 34309052.63 17036354.33 0 0 44063682.51 49289943.85 222949500.3 0 17548584.12 142931050.7 46925702.81 28602140.08 120846799.6 33266843.5 52307951.81 24619718.31 92204410.97 27747884.94 0 10668459.66 9134281.201 11758992.81 54761976.61 308370854.3 0 20653107.86 26031334.41 85097490 34459591.04 12958469.44 0 20087101.38 Dimethylallyl pyrophosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8296149.49 0 0 0 0 0 8563138.537 0 0 0 13434758.47 0 0 0 0 9144596.651 0 0 0 0 0 0 9958932.238 12477004.72 42171204.43 20560490.05 21555497.11 20879036.67 54508051.08 74038461.54 40623159.3 113139591.4 84008394.54 19628116.71 8975421.687 0 0 0 11454226.89 0 13876777.25 0 10168238.4 13548743.72 14947004.61 0 13745542.95 11469625.32 19521421.62 16113859.08 0 69126606.38 Isopentenyl pyrophosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11385896.72 8948299.32 0 0 0 0 0 0 0 0 0 0 55931211.5 77009433.96 41287494.23 29229709.04 18557601.26 152350301 137340366.5 17974671.67 163229585 120251459.1 50965372.51 21197347.48 9542650.602 0 7904249.597 0 10097678.49 0 0 0 0 0 13946543.78 12707495.43 13775796.87 0 14873904.58 16410172.66 0 34317943.84 Sucrose 2.38E+11 10741140123 17748961245 38102829973 13709806543 57743780571 13496372785 24048349754 15912985801 15246015702 13478665595 51077966750 19989858592 20938937368 14976203339 33663505468 15698882941 16094445158 15084640995 23301320498 20575038627 21651212885 12509822958 18005665786 31212661890 11124402942 17696681954 11362022116 37260424516 14252258190 9977382313 9118861557 9036279616 23906038151 15480603754 24496088152 9530559289 12766437551 14233612541 16069002526 11523416795 8885531828 69497896816 77138379326 8575370597 13536039979 20292686371 16807117157 15584388368 14127210843 17583406128 9195072403 9031263130 19706181205 27577036217 17614336740 27492404061 17674776172 26284761858 9787017773 24660582734 21860540174 18362531658 20505883871 12323106033 19884302539 13794197163 6.94E+11 47545756416 32386095802 14900630652 Citicoline 603987.7301 63364.29309 262376.2376 68571.42857 733459.1195 33047.2103 158887.5453 487912.0879 0 0 0 666571.835 48025.61366 469801.3245 0 181918.4123 139733.3333 447793.1904 609899.5696 136692.2234 62578.22278 229953.9171 763884.8921 900145.3488 0 208433.7349 76177.28532 57106.59898 734654.7315 0 0 131361.6071 527209.9448 150413.2231 0 0 0 433289.4737 214509.8039 555759.8039 275938.8039 405352.4804 167783.5052 134704.3702 121212.1212 645954.6926 625911.4583 0 422607.7813 487214.6119 541184.2105 129722.5892 0 0 106015.0376 0 453400.8683 170129.8701 51317.29668 383411.7647 0 351584.2839 161143.695 72409.32642 0 962481.5362 474917.8532 167422.0963 432087.2274 158345.2211 248780.4878 4-Hydroxyproline 669765950.9 496741589.3 753178094.1 798078231.3 795455974.8 500240343.3 583618500.6 800542124.5 551567015.1 1799571815 703263439.3 432153627.3 554917395.9 515725827.8 829246578.6 1022598567 698371466.7 422863556.1 1114130846 362265279.3 285415644.6 634737096.8 821698417.3 366691424.4 2227295994 400838335.2 345284764.5 570574111.7 372545012.8 397863930.3 535076779 366223325.9 310109944.8 233496143.3 558840175.2 599933980.6 479188063.7 360211315.8 456367712.4 735293995.1 395647427 423821671 466408505.2 4679673907 306257808.9 269514077.7 275215104.2 429085475.6 201895268.1 302359360.7 443315000 380495508.6 223088961 314222660.1 315958109.6 374038603.4 528338205.5 193231493.5 274697365.4 186641764.7 237460119.6 308674651.5 252089442.8 626083290.2 185475146.5 353838404.7 215985870.8 258013031.2 390444392.5 233142082.7 277863292.7 Aspartic acid 1121552454 706967389.1 675806435.6 524992925.2 476306918.2 829082546.5 739630713.4 384558424.9 338368292.7 1166805096 785444219.7 875703413.9 836946638.2 751685033.1 556483673.5 456561080.5 702886533.3 370115258.5 380286370.2 574271522.5 675427784.7 652938479.3 468419424.5 638871657 517884668.5 342120153.3 625361218.8 741080583.8 384877749.4 453994527.4 541540449.4 812208147.3 560429696.1 742155096.4 520687234 647655922.3 729421750.7 578195657.9 611490980.4 590853553.9 478409874.8 678143472.6 926128092.8 445030205.7 737028554.8 674374757.3 860644010.4 744404627.2 743052050.5 807157229.8 469317631.6 976360105.7 652688852.8 635979433.5 603646616.5 677205138.3 410686541.2 850914069.3 955692439.9 1060552706 694906281.2 558611026.6 1043192229 644732772 1385000938 2035257459 740438444.7 922794475.9 790904984.4 1317528531 896466829.3 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1-Methyluracil 2,3-Dihydroxybenzoate 2,6-Pyridinedicarboxylic acid 2-C-Methyl-D-erythritol 4-phosphate 2-Deoxy-D-ribose 5-phosphate 2-Hydroxyhippuric acid 2-Hydroxyisovaleric acid 2-Hydroxyphenylacetic acid 2-Isopropylmalic acid 2-Methyl citrate 2-Methyl-3-Hydroxybutyric acid 2-Methylbenzoic acid 2-Methylhippuric acid 2-Phosphoglycolate 3,4-Dihydroxymandelic acid 3-Hydroxymethylglutaric acid 3-Hydroxyphenylacetic acid 3-Methyladipic acid 4-Hydroxybenzoic acid 4-Hydroxyphenylacetic acid 4-Hydroxyphenyllactic acid 4-Methylbenzoic acid 4-Phospho-D-erythronate 5-Dehydroquinic acid 5-Keto-gluconate Acetyl-glycine Adipic acid Asp-Asp-Gly Asp-Asp-Ser Azelaic acid Benzoic acid cyclic FMN Deoxyuridine D-Glucarate D-Glucopyranuronate Dihydrooroticacid Erythose Ferulic acid Caproic acid Enanthic acid Formyl-L-methionine gamma-Glu-Cys Gentisic acid Glu-Asp Glutaconic acid Glutaric acid Homovanillic acid Ketoleucine (3-Methyl-2-oxovaleric acid) L-Ascorbic acid 2-sulfate Leucinic acid Levulinic acid L-Homocysteic acid L-Threonic acid Maltitol/Lactitol Mandelic acid Orthophosphate O-Succinyl-L-homoserine Phenylpyruvic acid p-Toluenesulfonic acid Pyroglutamic acid Sebacic acid Glycerol 2-phosphate Succinic anhydride Tartaric acid Terephthalic acid trans-2-Butenoic acid trans-Aconiticacid Tyrosol beta-hydroxy-iso-butyrate beta-hydroxy-beta-methylbutyrate (HMB) alpha-HMB keto-isocaproic acid (4-Methyl-2-oxopentanoate) beta-Keto-iso-valeric acid cis-Aconitate N-Acetyl-L-glutamic_Acid Acetoacetate N-Acetyl-a-D-glucosamine_1-phosphate N-Acetyl-D-glucosamine_6-phosphate N-Acetylneuraminic_acid N-α-Acetyl-L-methionine_sulfoxide N-Acetylaspartate N-Acetyl-Asp-Glu ADP-ribose Ascorbic_acid Carbamoyl-DL-aspartic_acid Creatine_phosphate L-Cysteine_S-sulfate Cysteic_acid glyceraldehyde 3-phosphate/Dihidroxyacetophosphate 2,3-Diphosphoglycerate Dihydroorotate 2-Deoxy-glucose_6-phosphate Ethanolamine Phosphate Fumarate Fructose-6-Phosphate Fructose1,6-diphosphate Galactose-1-Phosphate Glycerol_3-phosphate Glucose-1-Phosphate Glucose-6-Phosphate D-Glyceric_acid DL-Glyceraldehyde-3-phosphate D-Glucuronate GDP-D-mannose D-Glucose beta-Hydroxybutyrate 2-Hydroxyglutaric_Acid 4-Hydroxyphenylpyruvic acid MES (IS) Lactate Malate Mevalonate 3-Methylthiopropionate 3-Methyl-2-oxopentanoate Nicotinic_Acid 2-oxoglutarate Orotic_acid 2-Oxobutyrate Pyruvate Phosphoenolpyruvate 3-Phospho-D-glycerate + 2-Phospho-D-glycerate PLP (pyridoxal-5'-phosphate) Quinolinate Ribose5-phosphate + Ribulose5-phosphate + D-Xylulose_5-phosphate Succinate Sedoheptulose_7-phosphate Thiosulfate UDP-N-acetylgalactosamine Allatoin O-Acetyl-L-serine N-Acetyl-D-mannosamine Ala-Ala gamma-Ala-Lys L-Cysteinesulfinic acid Cystine Cys-Gly Dihydrouracil Ergothioneine Glutamic acid Glutathione, reduced Glutathione_oxidized form D-(+)-Glucosamine gamma-Glu-homoCys gamma-Glu-homoCys-Gly Gly-Gly Gly-Leu gamma-Glu-Abu gamma-Glu-Ala gamma-Glu-Gly gamma-Glu-Ser gamma-Glu-Val gamma-Glu-Thr gamma-Glu-Taurine gamma-Glu-Leu gamma-Glu-Gln gamma-Glu-Lys gamma-Glu-Met gamma-Glu-His gamma-Glu-Phe gamma-Glu-Arg gamma-Glu-Citrulline gamma-Glu-Tyr gamma-Glu-Trp gamma-Glu-Glu Hypotaurine Homocystine DL-Homocysteic acid 3-Indoleacetic Acid Lanthionine Leu-Leu-Tyr N-Methyl-Arg 3-Methyl-L-His Methionine Sulfoxide Ophthalmic Acid 2-Picolinic acid O-Phospho-L-serine 2-Succinyl Cysteine Taurine Thiotaurine Uric_acid Urocanic acid Xanthine AMP ADP CMP Citrate dGMP D-Glucosamine 1-phosphate dGDP Iso-citrate Itaconic acid cTMP UMP Butyrate Pyrophosphate 2-Furoic acid Citraconic acid D-4'-Phosphopantothenate Dimethylallyl pyrophosphate Isopentenyl pyrophosphate Sucrose Citicoline 4-Hydroxyproline Aspartic acid METABOLITES_END #END