#METABOLOMICS WORKBENCH csun0221_20230322_131635 DATATRACK_ID:3807 STUDY_ID:ST002525 ANALYSIS_ID:AN004159 PROJECT_ID:PR001626 VERSION 1 CREATED_ON March 27, 2023, 8:25 am #PROJECT PR:PROJECT_TITLE In situ microwave fixation provides an instantaneous snapshot of the brain PR:PROJECT_TITLE metabolome PR:PROJECT_SUMMARY The brain metabolome directly connects to brain physiology and neuronal PR:PROJECT_SUMMARY function. Brain glucose metabolism is highly heterogeneous among brain regions PR:PROJECT_SUMMARY and continues postmortem. Therefore, challenges remain to capture an accurate PR:PROJECT_SUMMARY snapshot of the physiological brain metabolome in healthy and diseased rodent PR:PROJECT_SUMMARY models. To overcome this barrier, we employed high-power focused microwave for PR:PROJECT_SUMMARY the simultaneous euthanasia and fixation of mouse brain tissue to preserve PR:PROJECT_SUMMARY metabolite pools prior to surgical removal and dissection of brain regions. We PR:PROJECT_SUMMARY demonstrate exhaustion of glycogen and glucose and an increase in lactate PR:PROJECT_SUMMARY production during conventional rapid brain resection prior to preservation by PR:PROJECT_SUMMARY liquid nitrogen that is not observed with microwave fixation. Next, microwave PR:PROJECT_SUMMARY fixation was employed to define the impact of brain glucose metabolism in the PR:PROJECT_SUMMARY mouse model of streptozotocin-induced type 1 diabetes. Using both total pool and PR:PROJECT_SUMMARY isotope tracing analyses, we identified global glucose hypometabolism in PR:PROJECT_SUMMARY multiple regions of the mouse brain, evidenced by reduced 13C enrichment into PR:PROJECT_SUMMARY glycogen, glycolysis, and the TCA cycle. Reduced glucose metabolism correlated PR:PROJECT_SUMMARY with a marked decrease in GLUT2 expression and several metabolic enzymes in PR:PROJECT_SUMMARY unique brain regions. In conclusion, our study supports the incorporation of PR:PROJECT_SUMMARY microwave fixation to study terminal brain metabolism in rodent models. PR:INSTITUTE University of Florida PR:DEPARTMENT Biochemistry and Molecular Biology PR:LABORATORY Sun lab PR:LAST_NAME sun PR:FIRST_NAME ramon PR:ADDRESS 1200 Newell Drive, ARB PR:EMAIL ramonsun@ufl.edu PR:PHONE 3522948407 #STUDY ST:STUDY_TITLE In situ microwave fixation provides an instantaneous snapshot of the brain ST:STUDY_TITLE metabolome - Part 2 ST:STUDY_SUMMARY We demonstrate exhaustion of glycogen and glucose and an increase in lactate ST:STUDY_SUMMARY production during conventional rapid brain resection prior to preservation by ST:STUDY_SUMMARY liquid nitrogen that is not observed with microwave fixation. Next, microwave ST:STUDY_SUMMARY fixation was employed to define the impact of brain glucose metabolism in the ST:STUDY_SUMMARY mouse model of streptozotocin-induced type 1 diabetes. Using both total pool and ST:STUDY_SUMMARY isotope tracing analyses, we identified global glucose hypometabolism in ST:STUDY_SUMMARY multiple regions of the mouse brain, evidenced by reduced 13C enrichment into ST:STUDY_SUMMARY glycogen, glycolysis, and the TCA cycle. Reduced glucose metabolism correlated ST:STUDY_SUMMARY with a marked decrease in GLUT2 expression and several metabolic enzymes in ST:STUDY_SUMMARY unique brain regions. In conclusion, our study supports the incorporation of ST:STUDY_SUMMARY microwave fixation to study terminal brain metabolism in rodent models. ST:INSTITUTE University of Florida ST:LAST_NAME Sun ST:FIRST_NAME Ramon ST:ADDRESS 1200 Newell Drive, ARB ST:EMAIL ramonsun@ufl.edu ST:PHONE 3522948407 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CTX Vehicle 1 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_1_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX Vehicle 2 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_2_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX Vehicle 3 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_3_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX Vehicle 4 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_4_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX Vehicle 5 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_5_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX Vehicle 6 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_6_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX Vehicle 7 Treatment:vehicle | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle CTX_7_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 1 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_1_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 2 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_2_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 3 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_3_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 4 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_4_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 5 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_5_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 6 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_6_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 7 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_7_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC Vehicle 8 Treatment:vehicle | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle DVC_8_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 1 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_1_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 2 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_2_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 3 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_3_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 4 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_4_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 5 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_5_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 6 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_6_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 7 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_7_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp Vehicle 8 Treatment:vehicle | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state vehicle Hipp_8_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 1 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_1_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 2 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_2_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 3 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_3_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 4 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_4_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 5 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_5_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 6 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_6_polar.CDF SUBJECT_SAMPLE_FACTORS - CTX T1DM 7 Treatment:STZ | Tissue Region:cortex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM CTX_7_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 1 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_1_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 2 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_2_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 3 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_3_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 4 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_4_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 5 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_5_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 6 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_6_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 7 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_7_polar.CDF SUBJECT_SAMPLE_FACTORS - DVC T1DM 8 Treatment:STZ | Tissue Region:dorsal vagal complex Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM DVC_8_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 1 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_1_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 2 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_2_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 3 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_3_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 4 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_4_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 5 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_5_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 6 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_6_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 7 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_7_polar.CDF SUBJECT_SAMPLE_FACTORS - Hipp T1DM 8 Treatment:STZ | Tissue Region:Hippocampus Preservation method=focused microwave; RAW_FILE_NAME=steady state T1DM Hipp_8_polar.CDF #COLLECTION CO:COLLECTION_SUMMARY Mice were euthanized by microwave fixation system at 5kW for 0.6 seconds CO:COLLECTION_SUMMARY (MMW-05, Muromachi Kikai Company, Japan). Brain regions (HIPP, CTX, DVC), as CO:COLLECTION_SUMMARY well as muscle and liver, were dissected postmortem. CO:SAMPLE_TYPE Brain #TREATMENT TR:TREATMENT_SUMMARY We designed a two-arm study, where euthanasia occurs through either 1) direct TR:TREATMENT_SUMMARY decapitation or 2) focused microwave (Fig. 1). In both arms, we performed rapid TR:TREATMENT_SUMMARY dissection of the brain followed by cryopreservation in liquid nitrogen. The TR:TREATMENT_SUMMARY major difference between the two arms is the tissue fixation or enzyme TR:TREATMENT_SUMMARY inactivation step occurs either during cryopreservation for decapitation (CP, TR:TREATMENT_SUMMARY ~90 seconds) or focused microwave (FM, ~0.6 second). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Brains were removed immediately post-mortem, and washed once with PBS, twice SP:SAMPLEPREP_SUMMARY with diH2O, blotted dry, and snap frozen in liquid nitrogen. Other set of brains SP:SAMPLEPREP_SUMMARY were snap frozen after microwave fixation as described above. The frozen tissues SP:SAMPLEPREP_SUMMARY were pulverized to 10 μm particles in liquid N2 using a Freezer/Mill SP:SAMPLEPREP_SUMMARY Cryogenic Grinder (SPEX SamplePrep). Brain regions were extracted with 1ml of SP:SAMPLEPREP_SUMMARY 50% methanol in the grinder, while for muscle and liver twenty milligrams of SP:SAMPLEPREP_SUMMARY each pulverized tissue were extracted in 1ml of 50% methanol and separated into SP:SAMPLEPREP_SUMMARY polar (aqueous layer), and protein/DNA/RNA/glycogen pellet. The polar fraction SP:SAMPLEPREP_SUMMARY was dried at 10-3 mBar using a SpeedVac (Thermo) followed by derivatization. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent HP5-MS (30m x 0.25mm, 0.25 um) CH:SOLVENT_A na CH:SOLVENT_B na CH:FLOW_GRADIENT na CH:FLOW_RATE 0.69 ml/min CH:COLUMN_TEMPERATURE 60-325 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS GCMS protocols were similar to those described previously with a modified MS:MS_COMMENTS temperature gradient was used for GC: Initial temperature was 130degC, held for MS:MS_COMMENTS 4 minutes, rising at 6degC/minutes to 243degC, rising at 60degC/minutes to MS:MS_COMMENTS 280degC, held for 2 minutes. The electron ionization (EI) energy was set to 70 MS:MS_COMMENTS eV. Scan (m/z:50-800) and full scan mode were used for metabolomics analysis. MS:MS_COMMENTS Mass spectra were translated to relative metabolite abundance using the MS:MS_COMMENTS Automated Mass Spectral Deconvolution and Identification System (AMDIS) software MS:MS_COMMENTS matched to the FiehnLib metabolomics library (available through Agilent) for MS:MS_COMMENTS retention time and fragmentation pattern matching with a confidence score of > MS:MS_COMMENTS 80 (Fiehn, 2016; Fiehn et al., 2000; Kind et al., 2009). Data was further MS:MS_COMMENTS analyzed using the Data Extraction for Stable Isotope-labelled Metabolites MS:MS_COMMENTS (DEXSI) software package. Untargeted metabolomics data was normalized to total MS:MS_COMMENTS ion chromatogram. For glucose tracer raw data was exported and correction for MS:MS_COMMENTS natural abundance was done by IsoCorrectoR. Fractional enrichment of each MS:MS_COMMENTS metabolite was calculated as the relative abundance of each isotopologue MS:MS_COMMENTS relative to the sum of all other isotopologues. Mean enrichment was calculated MS:MS_COMMENTS as sum of fractional enrichment of labeled isotopologues (M1, M2, M3…). For MS:MS_COMMENTS principal component analysis, pathway impact analysis the online tool MS:MS_COMMENTS Metaboanlyst was used (https://www.metaboanalyst.ca/). Data was auto scaled and MS:MS_COMMENTS log transformed. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative abundance MS_METABOLITE_DATA_START Samples CTX Vehicle 1 CTX Vehicle 2 CTX Vehicle 3 CTX Vehicle 4 CTX Vehicle 5 CTX Vehicle 6 CTX Vehicle 7 CTX T1DM 1 CTX T1DM 2 CTX T1DM 3 CTX T1DM 4 CTX T1DM 5 CTX T1DM 6 CTX T1DM 7 Hipp Vehicle 1 Hipp Vehicle 2 Hipp Vehicle 3 Hipp Vehicle 4 Hipp Vehicle 5 Hipp Vehicle 6 Hipp Vehicle 7 Hipp Vehicle 8 Hipp T1DM 1 Hipp T1DM 2 Hipp T1DM 3 Hipp T1DM 4 Hipp T1DM 5 Hipp T1DM 6 Hipp T1DM 7 Hipp T1DM 8 DVC Vehicle 1 DVC Vehicle 2 DVC Vehicle 3 DVC Vehicle 4 DVC Vehicle 5 DVC Vehicle 6 DVC Vehicle 7 DVC Vehicle 8 DVC T1DM 1 DVC T1DM 2 DVC T1DM 3 DVC T1DM 4 DVC T1DM 5 DVC T1DM 6 DVC T1DM 7 DVC T1DM 8 Factors Treatment:vehicle | Tissue Region:cortex Treatment:vehicle | Tissue Region:cortex Treatment:vehicle | Tissue Region:cortex Treatment:vehicle | Tissue Region:cortex Treatment:vehicle | Tissue Region:cortex Treatment:vehicle | Tissue Region:cortex Treatment:vehicle | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:STZ | Tissue Region:cortex Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:STZ | Tissue Region:Hippocampus Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:vehicle | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex Treatment:STZ | Tissue Region:dorsal vagal complex pyruvic acid 0.000355795 0.000540831 0.000474144 0.000345407 0.000232742 0.000361389 0.000557111 0.000317599 0.00038259 0.000371612 0.000241148 0.000450591 0.00040899 0.000418736 0.000762593 0.000476518 0.000565927 0.001207459 0.000228738 0.000683312 0.000660513 0.000761692 0.000341017 0.000190849 0.000321232 0.000459764 0.000466321 0.00024309 0.00023933 0.000727506 0.000730798 0.000718247 0.001046166 0.000724193 0.000764855 0.00067652 0.001254425 0.000901192 0.000606488 0.000316655 0.000738827 0.0012704 0.00015067 0.000311917 0.000925412 0.000416633 lactic acid 0.005792314 0.004937368 0.00692446 0.008740828 0.008069367 0.008177743 0.00557863 0.005957876 0.006149094 0.005160857 0.005834294 0.013176972 0.00868006 0.006542087 0.006835776 0.006179573 0.007931519 0.018198215 0.0070787 0.008775972 0.006611803 0.006951969 0.005309245 0.003828833 0.004937133 0.007147347 0.012161132 0.00896693 0.005922029 0.005769587 0.009361982 0.007876798 0.010445596 0.010467258 0.01159612 0.015482592 0.018945975 0.011301381 0.00926506 0.006516463 0.009869921 0.021249574 0.003833419 0.007719907 0.00840368 0.008991827 alanine 0.003975842 0.00349164 0.005132346 0.004344651 0.005032491 0.004107313 0.004000918 0.004095863 0.004873379 0.006037151 0.003748143 0.003639457 0.007958073 0.004292076 0.00581381 0.005675964 0.006361409 0.007429129 0.005607525 0.004696655 0.004572874 0.005455152 0.005463694 0.004667044 0.006013382 0.008435576 0.005185219 0.007757862 0.006087425 0.004486601 0.003159242 0.003515403 0.003874137 0.004050885 0.003655444 0.005692398 0.004387892 0.004041607 0.00687366 0.005272582 0.005100577 0.00398486 0.003792052 0.005890713 0.003494082 0.006236502 valine 0.001669634 0.00191467 0.001877598 0.001543894 0.002052058 0.002206017 0.001930958 0.00533123 0.005095552 0.003943719 0.005336458 0.005191298 0.004601264 0.005001348 0.001978952 0.001674617 0.002304023 0.002104279 0.001813365 0.002034572 0.002357094 0.002258754 0.003505776 0.003268407 0.003289907 0.004282743 0.003757505 0.004571403 0.003645747 0.00343734 0.001938914 0.001343282 0.001416074 0.001623597 0.000975918 0.001780261 0.002125675 0.002053004 0.002337912 0.002879252 0.004060637 0.003357435 0.002722336 0.002089666 0.002816461 0.003963443 serine 0.001602645 0.000852688 0.001308006 0.001148138 0.001004588 0.001094414 0.000965359 0.001729487 0.001357599 0.001235648 0.000896054 0.000726207 0.001274727 0.001020314 0.002737183 0.001467888 0.002045572 0.003183203 0.001600085 0.001065365 0.001360304 0.002288138 0.00135883 0.001230981 0.002395526 0.003882955 0.000986122 0.002311739 0.001256589 0.001257176 0.001930853 0.001840992 0.002110177 0.001942271 0.001902338 0.003827977 0.002292607 0.002427153 0.001771774 0.001109071 0.001519882 0.001669888 0.001348877 0.001491847 0.002227549 0.001928878 leucine 0.001954323 0.001294893 0.001947892 0.00158275 0.001647785 0.001677517 0.00159129 0.003622544 0.004379592 0.003627803 0.003903652 0.00443834 0.004168876 0.003448364 0.00174967 0.001273319 0.002366094 0.002330551 0.002068914 0.001579542 0.002004655 0.002403996 0.003303745 0.002551557 0.004123615 0.003556605 0.003006284 0.003519641 0.003882671 0.001949334 0.001738154 0.001921171 0.001850342 0.001708281 0.001824949 0.001617358 0.001932698 0.001631313 0.002691549 0.004102731 0.003671166 0.004777539 0.003852354 0.003923552 0.003024467 0.003999859 phosphoric acid 0.225817971 0.193620349 0.229761645 0.243715881 0.272634292 0.240900599 0.188686171 0.285833721 0.318208781 0.32540285 0.26644169 0.258123597 0.302455318 0.219959538 0.290766658 0.258830537 0.286140135 0.288356631 0.276232336 0.258436937 0.217140638 0.279536996 0.318621046 0.266588279 0.297088549 0.330168048 0.292366339 0.400042346 0.346666516 0.246928551 0.199250896 0.208034805 0.238873145 0.252847824 0.241046897 0.301511695 0.261324734 0.2644334 0.204433851 0.261948754 0.203515328 0.232716836 0.375376191 0.324047886 0.251020697 0.296687362 isoleucine 0.000752362 0.000566808 0.000731827 0.000629697 0.000712047 0.000699719 0.000701808 0.001448336 0.001832309 0.001515319 0.001552937 0.001566539 0.00167705 0.001453277 0.000828865 0.000597572 0.001009217 0.001187068 0.000775243 0.000710174 0.000902382 0.001049985 0.001320291 0.00103837 0.001724386 0.001744248 0.001096506 0.001421073 0.001437216 0.00090995 0.000877261 0.000832396 0.000915653 0.000778945 0.000767143 0.001040218 0.001062273 0.000850729 0.001373292 0.00159072 0.001700725 0.001877465 0.001623935 0.001721405 0.0013405 0.001846927 proline 0.000701603 0.00059672 0.000716367 0.000652665 0.000560479 0.000636306 0.000734284 0.000697211 0.000927575 0.000784143 0.000719684 0.000807649 0.001080772 0.000805853 0.00059658 0.000430259 0.000498428 0.000469533 0.000663853 0.000578635 0.000706686 0.000642311 0.000557371 0.000506206 0.000807742 0.000242133 0.000496275 0.000832307 0.000615454 0.000415198 0.000455918 0.00044562 0.000283031 0.000282991 0.000341336 0.000266038 0.000382393 0.000189506 0.000223223 0.000451049 0.000433252 0.000380072 0.000567963 0.000298261 0.000226206 0.000489151 glycine 0.015748153 0.017292225 0.019806256 0.016284118 0.019413768 0.016772739 0.018611804 0.021685348 0.026101677 0.027755835 0.020601284 0.01587177 0.028529419 0.018992782 0.026181372 0.022699595 0.023480923 0.024802208 0.024156444 0.023109863 0.027658854 0.028323749 0.025299478 0.020527999 0.028604632 0.024325918 0.017285206 0.033826093 0.028012697 0.02108472 0.14705461 0.148434623 0.131680609 0.124233748 0.136549474 0.117975596 0.154558082 0.160702257 0.146365515 0.129010722 0.125124199 0.152993978 0.126643524 0.112990665 0.130691764 0.139168421 succinate 0.000191567 0.000166991 0.000238507 0.000463161 0.000441295 0.00047477 0.000156917 0.000196427 0.000296333 0.000264645 0.000320853 0.000587723 0.00042059 0.000428843 0.000205023 0.000252486 0.000226574 0.000469153 0.000407824 0.00046087 0.000176508 0.000224995 0.000257627 0.000186364 0.000320686 0.000408091 0.000543366 0.000612003 0.000367432 0.000400158 0.000565152 0.00047114 0.000642745 0.000710415 0.00089502 0.000927052 0.000993085 0.000759815 0.00084932 0.000399589 0.000489212 0.001322636 0.000489047 0.000506879 0.00056271 0.000647662 fumaric acid 0.001476053 0.001351652 0.002018598 0.001965458 0.001836112 0.001794865 0.001166971 0.001043405 0.00156898 0.002350168 0.001316312 0.001485802 0.004257469 0.001910771 0.001233882 0.001636935 0.00157537 0.001980482 0.001800749 0.001804946 0.001202208 0.001312014 0.00130521 0.001007799 0.001347543 0.001767982 0.001356682 0.001514413 0.00122619 0.001693618 0.001967506 0.001692989 0.002501442 0.002451706 0.002450014 0.002419031 0.002289663 0.001970301 0.001870627 0.001480431 0.001766093 0.002198491 0.000747559 0.001923262 0.001983921 0.001680248 threonine 0.001655617 0.001701273 0.002134299 0.00192923 0.001437361 0.001505657 0.00191486 0.001364117 0.002201259 0.001977853 0.001749035 0.001961525 0.001797792 0.001909626 0.001471253 0.002108536 0.001836519 0.002123301 0.00192338 0.001829065 0.002514449 0.002339593 0.001493671 0.001332426 0.001968834 0.000803163 0.00158296 0.001520608 0.001656332 0.001577073 0.000793402 0.001320597 0.000903699 0.001020714 0.001230723 0.001117273 0.000701223 0.000843569 0.000677181 0.00056161 0.000876624 0.000826374 0.000627257 0.000697347 0.000467922 0.000534015 beta-alanine 0.000272756 0.000246326 0.000275544 0.000223946 0.000256211 0.00027409 0.000280321 0.000308428 0.000270563 0.000234301 0.000237748 0.00030331 0.000322923 0.000315931 0.000468424 0.000413265 0.000421892 0.000352721 0.000382151 0.000419737 0.000514807 0.000553514 0.000340777 0.000376702 0.000364142 0.000307365 0.000346292 0.000359939 0.000335151 0.000398414 0.000578878 0.000566833 0.000460734 0.000542468 0.000480133 0.000388038 0.000499122 0.000452266 0.000620843 0.000431507 0.000513598 0.000399869 0.000449533 0.00033692 0.000327402 0.000489203 nicotinamide 0.000814855 0.000758453 0.000653443 0.000623225 0.00054371 0.000522873 0.000915586 0.000515129 0.001107175 0.001609216 0.000429609 0.000427945 0.002139067 0.000426973 0.000570027 0.000505741 0.000484236 0.000368023 0.000373704 0.000406182 0.000591028 0.000608699 0.000838469 0.000331427 0.000374651 0.000391046 0.000335975 0.002921047 0.001128173 0.000324437 0.000849777 0.000661503 0.000731384 0.000436969 0.000577456 0.000479385 0.000634501 0.000565642 0.000623381 0.000490129 0.000529099 0.000422388 0.001845238 0.000601199 0.000431358 0.000828507 malic acid 0.001056986 0.000981162 0.00139641 0.001619099 0.001543599 0.001430255 0.000853666 0.000802178 0.001153909 0.001326433 0.001032958 0.001268174 0.002461658 0.001488693 0.000872372 0.001229449 0.001151229 0.001992789 0.001396762 0.001384862 0.000822963 0.000878698 0.000958445 0.000726005 0.000964451 0.0011734 0.001082102 0.001199206 0.001199118 0.001282842 0.001499401 0.001315427 0.001851574 0.001890197 0.001976151 0.001892176 0.001808604 0.001464179 0.001511645 0.001244602 0.001439795 0.001714898 0.001046417 0.001533002 0.001640814 0.00147422 aspartic acid 0.059789563 0.062011462 0.055930853 0.046583687 0.052849108 0.05880695 0.06531418 0.034501195 0.041902536 0.039792836 0.033170744 0.054703963 0.050482161 0.047586559 0.040797682 0.043670027 0.032571838 0.029180667 0.047381964 0.048402177 0.061931079 0.037673539 0.038938602 0.030744722 0.028919691 0.006081541 0.034357688 0.033770024 0.041295098 0.030326496 0.033614397 0.043454252 0.029689131 0.03534877 0.035693489 0.020228367 0.010791322 0.005192555 0.018521196 0.020604941 0.029552313 0.013004442 0.065635864 0.032114315 0.009216887 0.014981785 GABA 0.027340451 0.035682433 0.032353578 0.039493928 0.034522943 0.03235049 0.034071949 0.030081619 0.040808078 0.042594949 0.03011395 0.033274698 0.071908871 0.036374813 0.043122319 0.042642776 0.039483729 0.034943368 0.039337294 0.04538047 0.045409055 0.038804571 0.031868696 0.035602306 0.038290515 0.017244363 0.035696352 0.059922608 0.047968815 0.044496393 0.040547804 0.033537431 0.025767067 0.038793762 0.031801694 0.021198067 0.031874204 0.021678352 0.043131026 0.030060359 0.047150086 0.023590599 0.045314276 0.022787314 0.018550979 0.040339491 Phenylalanine 0.000104245 6.31541E-05 6.11805E-05 9.72268E-05 8.21507E-05 6.66039E-05 8.24183E-05 0.000146676 0.00011437 0.000116852 6.88149E-05 7.94832E-05 8.88341E-05 2.63318E-05 0.000318287 0.000157178 0.000337047 0.000322758 0.000127359 0.000108435 0.000159012 0.000285306 0.000162124 0.000110849 0.000185682 0.000317917 9.74299E-05 0.00018048 0.000129328 6.81776E-05 0.000381203 0.000254753 0.000371847 0.000268193 0.000339772 0.000561834 0.000489922 0.000486065 0.000241756 0.000216751 0.000186696 0.000299007 0.000150071 0.000275579 0.000263768 0.0004281 creatinine 0.012669294 0.010540799 0.01220156 0.01413758 0.01396436 0.013037947 0.011417965 0.016048189 0.013695959 0.018281686 0.0140431 0.013941982 0.01942441 0.010967661 0.010989625 0.009526338 0.010374617 0.010817137 0.01220857 0.012030125 0.009070505 0.011235319 0.010444075 0.009996021 0.010159755 0.012634894 0.011788824 0.016815265 0.015122407 0.008280348 0.010490521 0.009346266 0.008371626 0.007992368 0.01192235 0.011553306 0.013329607 0.009914454 0.011199793 0.010641882 0.008252336 0.012702305 0.011638215 0.012100217 0.008021617 0.011361778 2-oxoglutaric acid 0.000775149 0.000681423 0.001003734 0.000586541 0.000598379 0.000519017 0.000584062 0.000835523 0.000779349 0.000729012 0.001154518 0.0003419 0.000388895 0.0010134 0.000697626 0.000912377 0.00090925 0.000595293 0.000716856 0.000391561 0.000603407 0.000711804 0.000795813 0.000918887 0.00135872 0.00161346 0.000455003 0.000100368 0.001011967 0.001189709 0.000703496 0.000524752 0.000682527 0.000572687 0.000365138 0.000510683 0.00029853 0.000680906 0.000570548 0.000709626 0.00074035 0.000212659 9.79078E-05 0.000679037 0.00058127 0.000704893 phosphoenolpyruvate 5.39314E-05 5.75162E-05 7.57342E-05 0.000104421 0.000109235 0.000149826 5.35508E-05 6.75904E-05 1.97338E-05 2.52872E-05 4.79539E-05 0.000144908 2.4264E-05 0.000105303 4.42488E-05 5.56705E-05 5.13681E-05 8.21733E-05 0.000135497 0.000147592 6.7402E-05 5.6698E-05 6.20323E-05 7.0699E-05 4.43117E-05 3.47111E-05 0.000133591 9.61809E-06 8.1653E-05 9.30914E-05 0 5.14317E-05 5.11332E-05 2.6674E-05 0.000103253 0.00010052 5.89784E-05 0 0 3.05651E-05 2.10698E-05 0.000110651 3.78804E-05 2.74875E-05 5.31649E-05 5.98319E-05 glutamic acid 0.181820591 0.1776248 0.180831455 0.17480377 0.167740925 0.180740663 0.184376259 0.091962068 0.127047472 0.119964005 0.128293809 0.150480342 0.125702025 0.161441807 0.092870441 0.134422155 0.082028365 0.097831311 0.15244318 0.142713258 0.15341967 0.093948611 0.099785101 0.097982095 0.096883723 0.063876922 0.102766239 0.055554918 0.094627176 0.116281673 0.092841977 0.096505366 0.097948655 0.093930596 0.101351052 0.085458311 0.065564659 0.048903449 0.082285538 0.066990273 0.08345277 0.061554793 0.050350686 0.069900505 0.064657699 0.0620682 N-acetyl-L-aspartic acid 0.084472021 0.074705286 0.072509458 0.073695898 0.068362381 0.072882616 0.075172703 0.062109454 0.053218974 0.05060619 0.049018224 0.063607441 0.054904477 0.066751958 0.066545407 0.066132702 0.067472588 0.070124171 0.068078996 0.066316028 0.070497267 0.071168041 0.052680554 0.053581527 0.052433502 0.050370833 0.052887771 0.038658284 0.040023509 0.053754878 0.082373595 0.083606437 0.080839996 0.072088448 0.077463531 0.078479628 0.073496052 0.088775548 0.064046368 0.05633474 0.057867947 0.071159415 0.031621183 0.045059664 0.067835105 0.040098246 pyrophosphate 0.022187028 0.025085958 0.02455214 0.02036739 0.013200229 0.022104529 0.024614868 0.017574434 0.00480613 0.002155326 0.013265453 0.014098179 0.0014931 0.02018564 0.017749341 0.015033208 0.014484655 0.011801745 0.016281779 0.019980577 0.020930904 0.018444492 0.007349037 0.015839439 0.012636789 0.005286883 0.011954084 0.001129071 0.003067222 0.015782936 0.010630355 0.010697957 0.009829529 0.005374276 0.009608401 0.004849609 0.004303247 0.004041242 0.000567857 0.00266133 0.004291888 0.00157446 0.000411949 0.001864697 0.006300359 0.001957816 taurine 0.133363312 0.132058244 0.108706906 0.131248939 0.11675592 0.128618166 0.140427411 0.069037634 0.06841687 0.06337982 0.08545024 0.080996663 0.071719564 0.087197412 0.084176242 0.073832981 0.088368157 0.075312897 0.076897967 0.073093228 0.074058766 0.075519755 0.06543963 0.053495741 0.045349397 0.037098869 0.067535713 0.063481635 0.058494028 0.050949491 0.01319581 0.014998435 0.013557444 0.015418311 0.020597727 0.013833185 0.010023159 0.005279872 0.01005614 0.008501893 0.011179962 0.004244972 0.009869889 0.010371995 0.006411426 0.008941872 dihydroxyacetone phosphate 6.11099E-05 2.15824E-05 7.33041E-05 9.24148E-05 0.000185756 0.000163439 1.55109E-05 0.000164172 0.000234679 0.000411415 0.000161216 0.000130664 0.00055394 7.44955E-05 2.19399E-05 1.55791E-05 3.66536E-05 6.01116E-05 9.55536E-05 6.25208E-05 3.1161E-05 2.11291E-05 0.000224095 6.9659E-05 3.91931E-05 0.000153132 8.32916E-05 0.000669572 0.000199728 4.29863E-05 2.46671E-05 3.41711E-05 5.09398E-05 1.55242E-05 5.39517E-05 0.000116798 3.90256E-05 2.77428E-05 3.42823E-05 3.78595E-05 1.14915E-05 5.22849E-05 0.000226758 8.80965E-05 1.43113E-05 0.000128882 glycerol 1-phosphate 0.007167574 0.007230876 0.008470998 0.008282203 0.008000753 0.008260791 0.007420503 0.005871193 0.003672978 0.00346302 0.0042487 0.00849805 0.00616232 0.006304282 0.004475112 0.00671784 0.005288896 0.005254139 0.009679109 0.00763313 0.007143885 0.005392808 0.005155066 0.006990734 0.004518071 0.003141974 0.00842832 0.004172648 0.005907491 0.006244772 0.003796542 0.003206404 0.003316601 0.002927042 0.003935201 0.003322884 0.003495277 0.002450986 0.001856358 0.00316707 0.001991435 0.002796858 0.002258842 0.004512242 0.002251951 0.003081865 glutamine 0.001107416 0.000919611 0.000912373 0.00121494 0.000647466 0.00072562 0.000941485 0.000618986 0.001197064 0.000686943 0.000826647 0.000683169 0.0004681 0.000525048 0.000570316 0.000356541 0.000454174 0.000474431 0.000527495 0.000604958 0.000610074 0.000597066 0.000534369 0.000493035 0.000914193 0.00074507 0.000457746 0.000382425 0.000591864 0.000550853 0.001046388 0.000590964 0.000535041 0.000681627 0.001275507 0.000483949 0.00188192 0.000719942 0.000759844 0.000915848 0.001310292 0.001109429 0.000735862 0.000628875 0.000534633 0.004400442 3-phosphoglyceric acid 7.11868E-05 4.66065E-05 8.19463E-05 0.000143097 0.000163545 0.000175044 5.44492E-05 9.10883E-05 8.17961E-05 8.91697E-05 6.91678E-05 0.000186532 9.23262E-05 0.000103848 3.67267E-05 5.62099E-05 4.84704E-05 9.84284E-05 0.000155655 0.000130685 4.75797E-05 6.12483E-05 9.01739E-05 6.02231E-05 6.43507E-05 4.51423E-05 0.000156994 6.72865E-05 0.000138045 7.50638E-05 2.68139E-05 3.93576E-05 5.40249E-05 1.43371E-05 0.000141488 0.000131924 8.07558E-05 1.79816E-05 3.48634E-05 5.18753E-05 2.72624E-05 0.000156216 0.000116888 7.89009E-05 8.75651E-05 0.000114149 citric acid 0.003820079 0.003505769 0.004349905 0.003661441 0.003618561 0.003653231 0.003526985 0.004421263 0.004720402 0.004680494 0.004586427 0.003015604 0.004591294 0.005257151 0.003429017 0.003978196 0.003893855 0.004200834 0.004145829 0.003443407 0.003702435 0.004001215 0.004289065 0.004613202 0.005535591 0.006565826 0.003002721 0.003118089 0.004748528 0.004963845 0.003785613 0.003521953 0.00406547 0.003536332 0.003498106 0.003958798 0.002927336 0.004122689 0.003758876 0.003779429 0.004222619 0.002764774 0.003195262 0.00421444 0.00418198 0.003828199 dehydroascorbic acid 0.005277022 0.004672337 0.004964606 0.004627579 0.004580952 0.00459153 0.004875138 0.003313773 0.003279191 0.003037146 0.00330045 0.003748049 0.003936499 0.00428925 0.00553856 0.00523108 0.004909774 0.004433843 0.00528551 0.004484405 0.005439559 0.006045936 0.003317431 0.003702537 0.00384474 0.004648969 0.004141176 0.004405533 0.004289196 0.003208901 0.001548735 0.002198263 0.002541643 0.001294701 0.001237075 0.001578113 0.002487453 0.002004964 0.00158909 0.001917055 0.002132694 0.002183545 0.001697801 0.00163226 0.002509475 0.001524671 adenine 0.000379085 0.000332455 0.000389323 0.000331675 0.000443167 0.000354471 0.000278515 0.000299471 0.000437227 0.000550697 0.000271586 0.00034687 0.000640922 0.000310621 0.000472674 0.000408816 0.000395064 0.000368261 0.000422559 0.000325614 0.000352251 0.00038872 0.000392751 0.000305928 0.00034429 0.000377164 0.000348456 0.000740692 0.000425215 0.000300632 0.000361944 0.000314248 0.000424486 0.00037858 0.000372136 0.000385958 0.000358921 0.00036877 0.00025194 0.000257534 0.000313504 0.000265284 0.000602077 0.000341132 0.000281264 0.000388901 tyrosine 0.000751435 0.00029398 0.001122207 0.000291661 0.000793584 0.0007231 0.000344756 0.000396686 0.000686118 0.000659909 0.000439109 0.000645135 0.000825319 0.000764371 0.00077567 0.001006068 0.000945341 0.000928089 0.000900248 0.000649829 0.001063416 0.000821932 0.000618791 0.000328843 0.000632491 0.000404615 0.000544066 0.000587461 0.000650962 0.000591583 0.000524643 0.000548346 0.000753137 0.000409499 0.000460331 0.000746077 0.00038438 0.000500128 0.000242221 0.000217611 0.000141277 0.00031473 0.000291398 0.000436342 0.000409749 0.000149782 fructose 0.000344757 0.000344826 0.000325371 0.000333464 0.000276057 0.000344758 0.000363245 0.001841003 0.002137221 0.002718481 0.002399443 0.001117456 0.00136722 0.001976687 0.000717536 0.000470552 0.000815296 0.018940956 0.000488338 0.000463317 0.000553842 0.000598776 0.001893081 0.00216051 0.002968647 0.003542056 0.001528927 0.002401973 0.001847096 0.002347224 0.000398954 0.00045945 0.000426362 0.000423635 0.000474946 0.000593262 0.000497123 0.000553948 0.001326777 0.001265769 0.001766087 0.001226084 0.001066248 0.001097126 0.001534764 0.001665339 glucose 0.015019988 0.022523569 0.016703641 0.016899224 0.0093833 0.014853344 0.020604206 0.099214412 0.091183116 0.091179146 0.117666371 0.060139235 0.05738965 0.08447284 0.026655425 0.017978262 0.026240557 0.035763221 0.016586593 0.016502944 0.025420328 0.021827383 0.079284702 0.101575065 0.116828556 0.170224374 0.068431502 0.060280723 0.074600106 0.099253762 0.028782064 0.026839784 0.024045665 0.022642325 0.027560124 0.020435523 0.01985283 0.025968754 0.080220783 0.086299182 0.111574898 0.072395877 0.051222842 0.065481687 0.097124663 0.078227692 lysine 9.4266E-05 0.000506909 0.000101218 0.000504001 0.000117467 8.34291E-05 0.000471208 7.88036E-05 0.000109174 0.000100908 5.10808E-05 6.00121E-05 8.37798E-05 4.75308E-05 0.00014313 0.000105836 0.000110045 0.000128289 0.000121628 0.000111314 0.000105817 0.000113744 7.51254E-05 5.85548E-05 0.000112554 7.08944E-05 5.94641E-05 0.000130258 0.000116715 6.1049E-05 0.000433517 0.000224509 0.000287164 0.000318733 0.000614254 0.000425031 0.00058936 0.000329921 0.000250521 0.00015974 0.000282089 0.000205349 0.000206769 0.000186085 6.54384E-05 0.0004449 sorbitol 0.000556146 0.000772067 0.000542117 0.000881204 0.00053952 0.000789384 0.000549566 0.001009032 0.000952248 0.000889293 0.001262931 0.001770981 0.001181687 0.002718301 0.000604095 0.000656025 0.000587918 0.002087262 0.001075815 0.000885992 0.000722307 0.000537699 0.00099856 0.001915664 0.001207791 0.001453912 0.001225394 0.001142246 0.000961182 0.001131803 0.00042481 0.000379701 0.000391445 0.000351218 0.000373322 0.0006906 0.000680489 0.000443449 0.000739207 0.000620034 0.000914529 0.000784703 0.000495931 0.000639365 0.000785648 0.00071812 pantothenic acid 5.26399E-05 6.89044E-05 8.92551E-05 7.38142E-05 5.32583E-05 5.97015E-05 7.18812E-05 0.000130745 0.000121768 0.000155871 0.00012044 0.000100061 0.000114501 0.000127101 7.63425E-05 9.37195E-05 8.11308E-05 7.65028E-05 8.89233E-05 7.25031E-05 8.3135E-05 8.2237E-05 0.000116273 0.000155826 0.0001718 0.000104626 9.72471E-05 0.000130882 0.000104129 0.00013286 5.18377E-05 4.59533E-05 8.515E-05 2.29773E-05 6.2696E-05 5.12775E-05 0 1.96025E-05 3.94017E-05 8.95274E-05 3.81623E-05 3.76726E-05 6.79858E-05 6.68473E-05 8.55926E-05 0.000127493 palmitic acid 0.001302726 0.001759966 0.001612325 0.001143746 0.001697699 0.001503362 0.001205199 0.002495554 0.00166834 0.002077896 0.001871399 0.00220627 0.001719412 0.001817095 0.003465287 0.002817574 0.002766013 0.00244353 0.002075359 0.002565553 0.002691429 0.00300136 0.002641709 0.003008361 0.002837931 0.004021601 0.00250902 0.002054921 0.001850999 0.003341423 0.001899401 0.001435284 0.000953425 0.001512229 0.00114049 0.001869524 0.002704945 0.002075733 0.00107088 0.00101749 0.002352819 0.00183821 0.000770931 0.001107967 0.001054275 0.001286973 myo-inositol 0.128280113 0.121591404 0.126292706 0.113815599 0.111587187 0.117739342 0.13272489 0.140323167 0.109593547 0.114801119 0.112969155 0.12480657 0.106400273 0.124849556 0.20570844 0.186693496 0.196416929 0.184684574 0.158354729 0.164783263 0.179787717 0.218263574 0.157756058 0.177325522 0.161525262 0.190381732 0.166059486 0.137588487 0.148341002 0.160327558 0.28684157 0.275455821 0.286743104 0.275294331 0.253488599 0.263676455 0.290180007 0.30868482 0.291656162 0.278677983 0.260629312 0.290041325 0.189974121 0.249033716 0.291201732 0.246097756 ribose-5-phosphate 0.000108948 0.00010896 0.000115811 0.000108253 9.4361E-05 0.000123928 0.000120356 8.79497E-05 0.000196464 0.000439868 7.41132E-05 0.000100188 0.000579497 7.60076E-05 8.6611E-05 9.1567E-05 9.15657E-05 0.000107675 0.000114374 0.000132699 0.000136033 0.000143106 0.000165331 8.14747E-05 0.000112624 6.98228E-05 0.000118487 0.000918508 0.000246117 0.000106676 0.000101385 0.00012988 0.000114467 6.6536E-05 0.000105792 6.52307E-05 0.000103913 5.97962E-05 5.78059E-05 6.78122E-05 2.601E-05 9.1436E-05 0.000388097 7.90324E-05 0.000116775 8.79812E-05 spermidine 7.25565E-05 7.23087E-05 0.000169737 3.32656E-05 0.000166543 0.000101626 7.32483E-05 0.000119387 0.000139192 0.000177327 0.000112551 0.00010564 3.02733E-05 4.94783E-05 6.1862E-05 0.000101041 0.000156167 0.000104321 5.40735E-05 0.000128287 0.000116992 9.28816E-05 9.39947E-05 9.00067E-05 0.000108854 1.47128E-05 9.64327E-05 5.21335E-05 0.000111242 0.000110945 3.58708E-05 6.68495E-05 5.60396E-05 2.71564E-05 2.76746E-05 5.63685E-05 2.34936E-05 3.00139E-05 2.42881E-05 2.31621E-05 0 4.00536E-05 2.21188E-05 3.72022E-05 2.82915E-05 2.17606E-05 stearic acid 0.00122208 0.002052601 0.00193912 0.001301065 0.002041436 0.001744329 0.001404423 0.002472522 0.001808834 0.001969376 0.002093267 0.00227912 0.001595502 0.001930877 0.003033395 0.002990964 0.00272606 0.002510687 0.002072407 0.002716626 0.002841385 0.002904599 0.002347095 0.003120914 0.002810197 0.003790059 0.002655911 0.001865142 0.00201213 0.003875858 0.001216009 0.000907442 0.000876473 0.001020654 0.000843706 0.0010622 0.001470733 0.001360796 0.000664587 0.000618049 0.001116076 0.001008295 0.000494885 0.000702995 0.000637144 0.001074582 fructose 6-phosphate 0.000259232 0.000267623 0.000357431 0.000191154 0.000193601 0.000178943 0.000276074 0.000232071 0.000213572 0.000208852 0.000219881 0.000148331 0.000257863 0.000242238 0.00023649 0.000274748 0.000235729 0.000215039 0.000273998 0.000186255 0.000308632 0.000262347 0.000194825 0.000285636 0.000326043 0.000253312 0.000166393 0.000180873 0.00022902 0.000344902 0.000108989 0.000133703 0.000155176 0.000106739 0.000104907 9.16784E-05 4.58467E-05 0.000130912 4.21908E-05 5.99549E-05 7.35681E-05 4.57319E-05 6.01849E-05 6.82478E-05 3.80795E-05 6.31631E-05 glucose-6-phosphate 0.000637009 0.000632785 0.000944616 0.000517538 0.000514795 0.000496924 0.000666389 0.00092743 0.001961447 0.002273735 0.000979512 0.000521578 0.00123313 0.000649109 0.000482926 0.000704059 0.000556283 0.000470371 0.000671002 0.000458087 0.00064709 0.000630622 0.001194516 0.000710551 0.000937824 0.000678737 0.000596114 0.000830195 0.001621837 0.000781833 0.000320885 0.000318409 0.000365285 0.000277879 0.000243009 0.000243072 0.000260786 0.000291037 0.000279641 0.000358139 0.0002456 0.000225119 0.000495795 0.000369249 0.00028922 0.000350054 adenosine monophosphate 0.003174688 0.003795642 0.005823974 0.006538855 0.008508952 0.006633145 0.002657447 0.002774265 0.002193901 0.00181962 0.002860505 0.003304719 0.001346969 0.003500427 0.001549353 0.002959576 0.001798121 0.001688401 0.004025715 0.002119872 0.002189958 0.001809383 0.001686132 0.001900187 0.001950811 0.001538472 0.002470529 0.00024446 0.001770014 0.002421667 0.001060902 0.001039861 0.001198689 0.001141671 0.001057683 0.00119041 0.000924983 0.000953649 0.000917316 0.000991473 0.000817399 0.000664751 0.000168108 0.00088398 0.000850121 0.00085193 cholesterol 0.039095291 0.074108798 0.054839124 0.046657307 0.055120564 0.039148281 0.050414388 0.071906784 0.040241725 0.040239153 0.068885762 0.059488407 0.03386678 0.052648183 0.038016292 0.069034386 0.072919937 0.043121516 0.04582516 0.069007077 0.052522124 0.043650546 0.055100174 0.080032848 0.046485516 0.022973151 0.073545588 0.031870449 0.037903228 0.091589857 0.008840688 0.007274535 0.005271287 0.01138823 0.005914979 0.004163344 0.004962719 0.009011784 0.000943531 0.004246415 0.005248431 0.00154475 0.004567273 0.006564329 0.004191991 0.004566137 D-galactose 0.007078791 0.009391627 0.007881362 0.012201786 0.011584463 0.011906795 0.006717967 0.013721569 0.008500253 0.010723795 0.012640523 0.010248912 0.006082466 0.012397253 0.030343143 0.011203158 0.009797575 0.008587364 0.005745352 0.014216271 0.017339553 0.017213189 0.016511354 0.010387817 0.015994312 0.009880204 0.013709321 0.019967888 0.026702683 0.018707028 0.02422619 0.020865156 0.0175419 0.016846601 0.019967888 0.017349811 0.018212704 0.020136624 0.054623994 0.036407924 0.019314955 0.018655131 D-mannose 0.017300207 0.022194692 0.019566347 0.019611088 0.024072171 0.021710685 0.016658616 0.022550523 0.020907627 0.022993349 0.021937968 0.02144675 0.007150909 0.008673178 0.013904174 0.011182182 0.009977066 0.00776496 0.007122498 0.010236136 0.010090828 0.01049418 0.011575505 0.008589793 0.013169025 0.009873947 0.008850062 0.008120767 0.00857878 0.007194783 0.010200365 0.008227161 0.006917334 0.005738768 0.008120767 0.007032925 0.007163688 0.007698051 0.021571241 0.014185843 0.008010963 0.007039996 Galactosamine 0.006865009 0.008521334 0.007467589 0.007574507 0.009355354 0.008478408 0.00674109 0.008714906 0.008086328 0.009036754 0.008798202 0.008410802 0.013449499 0.015748062 0.018145754 0.014146492 0.015292693 0.013809588 0.017857889 0.016579905 0.015269867 0.024293845 0.017941813 0.01465014 0.018282233 0.016420776 0.014162656 0.012521284 0.00973527 0.008813609 0.009407435 0.012811037 0.010401203 0.009265201 0.012521284 0.011940846 0.013476894 0.009555709 0.017161833 0.013690363 0.01498349 0.015492331 Glucosamine 0.009613589 0.01473523 0.010176684 0.016654037 0.015689549 0.017799805 0.012819015 0.026522461 0.025903096 0.016164677 0.018057852 0.025468706 0.005296714 0.006240003 0.007183624 0.005404493 0.005980425 0.005531872 0.006832807 0.006831461 0.006362451 0.009773394 0.007293903 0.005719924 0.007135497 0.006340312 0.005600937 0.065162074 0.06264827 0.064181193 0.063770881 0.064234681 0.068329798 0.069758476 0.065162074 0.067911771 0.064541082 0.071822178 0.061685723 0.052878285 0.071698859 0.073829123 Glycogen 0.00961359 0.01473523 0.01017668 0.01665404 0.01568955 0.01779981 0.01281901 0.02652246 0.0259031 0.01616468 0.01805785 0.02546871 0.006864933 0.008083539 0.017584757 0.012609071 0.011950005 0.011571484 0.021658412 0.015227804 0.018395982 0.0349563 0.033313621 0.010962333 0.022332981 0.015424096 0.021717854 0.003887409 0.002099934 0.003400955 0.004248579 0.002445477 0.009631787 0.007285457 0.003887409 0.002790599 0.007451557 0.006588646 0.001188831 0.003209644 0.003387631 0.004351475 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID KEGG pyruvic acid 1060 C00022 lactic acid 61503 C00186 alanine 5950 C00041 valine 6287 C00183 serine 5951 C00716 leucine 6106 C00123 phosphoric acid 57424078 C00009 isoleucine 6306 C00407 proline 145742 C00148 glycine 750 C00037 succinate 1110 C00042 fumaric acid 444972 C00122 threonine 6288 C00188 beta-alanine 239 C00099 nicotinamide 936 C00153 malic acid 525 C03668 aspartic acid 5960 C00049 GABA 223130 C00334 Phenylalanine 6140 C00079 creatinine 588 C00791 2-oxoglutaric acid 51 C00026 phosphoenolpyruvate 1005 C00074 glutamic acid 33032 C00025 N-acetyl-L-aspartic acid 65065 C01042 pyrophosphate 644102 C00013 taurine 1123 C00245 dihydroxyacetone phosphate 668 C00111 glycerol 1-phosphate 439162 C00093 glutamine 5961 C00064 3-phosphoglyceric acid 724 C00597 citric acid 311 C00158 dehydroascorbic acid 7786 C05422 adenine 190 C00147 tyrosine 6057 C00082 fructose 439709 C02336 glucose 5793 C00221 lysine 5962 C00047 sorbitol 5780 C00794 pantothenic acid 6613 C00864 palmitic acid 985 C00249 myo-inositol NA C00137 ribose-5-phosphate 439167 C00117 spermidine 1102 C00315 stearic acid 5281 C01530 fructose 6-phosphate 69507 C00085 glucose-6-phosphate 5958 C00092 adenosine monophosphate 6083 C00020 cholesterol 5997 C00187 D-galactose 439357 C00984 D-mannose 18950 C00936 Galactosamine NA C02262 Glucosamine 439213 C00329 Glycogen 439177 C00182 METABOLITES_END #END