#METABOLOMICS WORKBENCH nchorna_20231014_032922 DATATRACK_ID:4399 STUDY_ID:ST002931 ANALYSIS_ID:AN004809 VERSION 1 CREATED_ON 10-16-2023 #PROJECT PR:PROJECT_TITLE Analyzing Metabolic Alterations in the Gut, Blood, and Brain of Mice Induced by PR:PROJECT_TITLE Running Exercise Through Gas Chromatography Mass Spectrometry PR:PROJECT_SUMMARY Studying the metabolic impact of running exercise on the gut, blood, and PR:PROJECT_SUMMARY specific brain regions like the hippocampus and brainstem is crucial for PR:PROJECT_SUMMARY comprehending the broader health effects of physical activity. In our six-week PR:PROJECT_SUMMARY study, we utilized a mouse model (C57BL/6 genotype) to investigate these PR:PROJECT_SUMMARY metabolic changes. Employing gas and liquid chromatography coupled with mass PR:PROJECT_SUMMARY spectrometry followed by metabolomics for a comprehensive analysis, our approach PR:PROJECT_SUMMARY offers insights into how exercise influences metabolic processes, including PR:PROJECT_SUMMARY brain function. Our findings hold the potential to shape more effective exercise PR:PROJECT_SUMMARY strategies for enhancing overall health and cognitive function. PR:INSTITUTE University of Puerto Rico, School of Medicine PR:DEPARTMENT Biochemistry PR:LAST_NAME Chorna PR:FIRST_NAME Nataliya PR:ADDRESS University of Puerto Rico, Medical Sciences Campus, San Juan, PR 00935 PR:EMAIL nataliya.chorna@upr.edu PR:PHONE 7877582525 ext 1640 PR:FUNDING_SOURCE NIGMS-NIH-PRINBRE-P20GM103475 PR:DOI http://dx.doi.org/10.21228/M82Q61 #STUDY ST:STUDY_TITLE Analyzing Metabolic Alterations in the Gut, Blood, and Brain of Mice Induced by ST:STUDY_TITLE Running Exercise Through Gas Chromatography Mass Spectrometry. ST:STUDY_SUMMARY Studying the metabolic impact of running exercise on the gut, blood, and ST:STUDY_SUMMARY specific brain regions like the hippocampus and brainstem is crucial for ST:STUDY_SUMMARY comprehending the broader health effects of physical activity. In our six-week ST:STUDY_SUMMARY study, we utilized a mouse model (C57BL/6 genotype) to investigate these ST:STUDY_SUMMARY metabolic changes. Employing gas chromatography coupled with mass spectrometry ST:STUDY_SUMMARY followed by metabolomics for a comprehensive analysis, our approach offers ST:STUDY_SUMMARY insights into how exercise influences metabolic processes, including brain ST:STUDY_SUMMARY function. Our findings hold the potential to shape more effective exercise ST:STUDY_SUMMARY strategies for enhancing overall health and cognitive function. ST:INSTITUTE University of Puerto Rico, School of Medicine ST:DEPARTMENT Biochemistry ST:LAST_NAME Chorna ST:FIRST_NAME Nataliya ST:ADDRESS University of Puerto Rico, Medical Sciences Campus, San Juan, PR 00935 ST:EMAIL nataliya.chorna@upr.edu ST:PHONE 787-758-2525 x 1640 ST:SUBMIT_DATE 2023-10-14 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J SU:AGE_OR_AGE_RANGE 20 wks SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Jackson Lab #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS bd_gc_r1 bd_r1 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r1.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r2 bd_r2 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r2.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r3 bd_r3 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r3.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r4 bd_r4 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r4.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r5 bd_r5 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r5.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r6 bd_r6 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r6.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r7 bd_r7 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r7.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r8 bd_r8 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r8.CDF SUBJECT_SAMPLE_FACTORS bd_gc_r9 bd_r9 Sample:blood | Treatment:Running RAW_FILE_NAME=bd_gc_r9.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s1 bd_s1 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s1.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s2 bd_s2 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s2.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s3 bd_s3 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s3.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s4 bd_s4 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s4.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s5 bd_s5 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s5.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s6 bd_s6 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s6.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s7 bd_s7 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s7.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s8 bd_s8 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s8.CDF SUBJECT_SAMPLE_FACTORS bd_gc_s9 bd_s9 Sample:blood | Treatment:Sedentary RAW_FILE_NAME=bd_gc_s9.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r1 bs_r1 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r1.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r10 bs_r10 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r10.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r11 bs_r11 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r11.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r12 bs_r12 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r12.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r2 bs_r2 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r2.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r3 bs_r3 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r3.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r4 bs_r4 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r4.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r5 bs_r5 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r5.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r6 bs_r6 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r6.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r7 bs_r7 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r7.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r8 bs_r8 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r8.CDF SUBJECT_SAMPLE_FACTORS bs_gc_r9 bs_r9 Sample:brainstem | Treatment:Running RAW_FILE_NAME=bs_gc_r9.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s1 bs_s1 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s1.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s10 bs_s10 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s10.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s11 bs_s11 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s11.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s12 bs_s12 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s12.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s2 bs_s2 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s2.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s3 bs_s3 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s3.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s4 bs_s4 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s4.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s5 bs_s5 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s5.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s6 bs_s6 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s6.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s7 bs_s7 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s7.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s8 bs_s8 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s8.CDF SUBJECT_SAMPLE_FACTORS bs_gc_s9 bs_s9 Sample:brainstem | Treatment:Sedentary RAW_FILE_NAME=bs_gc_s9.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r1 fec_r1 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r1.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r10 fec_r10 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r10.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r11 fec_r11 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r11.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r12 fec_r12 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r12.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r2 fec_r2 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r2.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r3 fec_r3 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r3.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r4 fec_r4 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r4.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r5 fec_r5 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r5.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r6 fec_r6 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r6.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r7 fec_r7 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r7.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r8 fec_r8 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r8.CDF SUBJECT_SAMPLE_FACTORS fec_gc_r9 fec_r9 Sample:feces | Treatment:Running RAW_FILE_NAME=fec_gc_r9.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s1 fec_s1 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s1.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s10 fec_s10 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s10.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s11 fec_s11 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s11.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s12 fec_s12 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s12.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s2 fec_s2 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s2.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s3 fec_s3 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s3.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s4 fec_s4 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s4.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s5 fec_s5 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s5.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s6 fec_s6 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s6.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s7 fec_s7 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s7.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s8 fec_s8 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s8.CDF SUBJECT_SAMPLE_FACTORS fec_gc_s9 fec_s9 Sample:feces | Treatment:Sedentary RAW_FILE_NAME=fec_gc_s9.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r1 hp_r1 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r1.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r10 hp_r10 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r10.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r11 hp_r11 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r11.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r12 hp_r12 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r12.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r2 hp_r2 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r2.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r3 hp_r3 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r3.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r4 hp_r4 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r4.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r5 hp_r5 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r5.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r6 hp_r6 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r6.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r7 hp_r7 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r7.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r8 hp_r8 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r8.CDF SUBJECT_SAMPLE_FACTORS hp_gc_r9 hp_r9 Sample:hippocampus | Treatment:Running RAW_FILE_NAME=hp_gc_r9.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s1 hp_s1 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s1.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s10 hp_s10 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s10.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s11 hp_s11 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s11.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s12 hp_s12 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s12.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s2 hp_s2 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s2.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s3 hp_s3 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s3.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s4 hp_s4 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s4.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s5 hp_s5 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s5.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s6 hp_s6 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s6.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s7 hp_s7 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s7.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s8 hp_s8 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s8.CDF SUBJECT_SAMPLE_FACTORS hp_gc_s9 hp_s9 Sample:hippocampus | Treatment:Sedentary RAW_FILE_NAME=hp_gc_s9.CDF #COLLECTION CO:COLLECTION_SUMMARY Mice were randomized into two groups, sedentary control and running CO:COLLECTION_SUMMARY experimental. Mice were housed with free access to a wireless running wheel (Med CO:COLLECTION_SUMMARY Associates). For the sedentary group, the wheels were locked in the experiment. CO:COLLECTION_SUMMARY After 42 days, blood (130 uL), feces, hippocampus and brainstem were collected CO:COLLECTION_SUMMARY and stored at -80°C. CO:SAMPLE_TYPE blood, feces, hippocampus, brainstem CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY To evaluate our hypothesis that running exercise reshapes gut microbiota TR:TREATMENT_SUMMARY diversity that balances TRP metabolism in the gut, we used an established model TR:TREATMENT_SUMMARY of voluntary running exercise in 20-week-old male mice (C57BL/6J, Jackson Lab) TR:TREATMENT_SUMMARY housed individually in a standard cage in temperature-controlled (21°C) TR:TREATMENT_SUMMARY quarters with a 12-h light/12-h dark cycle. Animals were given water and food TR:TREATMENT_SUMMARY (Purina Chow) ad libitum as previously described (Chorna et al., 2013). Briefly, TR:TREATMENT_SUMMARY mice were randomized into two groups, sedentary control (n=12) and running TR:TREATMENT_SUMMARY experimental (n=12), housed with free access to a wireless running wheel (Med TR:TREATMENT_SUMMARY Associates) for six weeks. For the sedentary group, the wheels were locked in TR:TREATMENT_SUMMARY the experiment. Therefore, this group of mice could not perform running TR:TREATMENT_SUMMARY exercises. Exercise activities of the running group were recorded for each TR:TREATMENT_SUMMARY animal for the investigation to ensure that each mouse was physically active. TR:TREATMENT_SUMMARY The recording was conducted using an automatic counter and Med Associates TR:TREATMENT_SUMMARY software. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted from feces, blood, brainstem and hippocampus. See SP:SAMPLEPREP_SUMMARY Sample_preparation.pdf. SP:SAMPLEPREP_PROTOCOL_FILENAME Sample_preparation.pdf SP:PROCESSING_STORAGE_CONDITIONS Described in summary SP:EXTRACT_STORAGE Described in summary #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 1 μL of each sample was injected in the GC-MS. Injection mode – split (15:1). CH:CHROMATOGRAPHY_SUMMARY The injection port temperature was set at 280°C, and helium was used as the CH:CHROMATOGRAPHY_SUMMARY carrier gas at a constant linear velocity of 39 cm/sec. Metabolites were CH:CHROMATOGRAPHY_SUMMARY separated using a GC temperature ramping program. The GC oven was programmed CH:CHROMATOGRAPHY_SUMMARY from 100°C to 280°C at a rate of 4°C/min. CH:METHODS_FILENAME Chromatography.pdf CH:INSTRUMENT_NAME Shimadzu GCMS/MS-TQ8050 CH:COLUMN_NAME Shimadzu SH-Rxi-5ms (30m x 0.25mm,0.25um) CH:COLUMN_TEMPERATURE 280°C CH:FLOW_GRADIENT NA CH:FLOW_RATE 4°C/min CH:SOLVENT_A NA CH:SOLVENT_B NA CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Shimadzu GCMS/MS-TQ8050 MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE EI MS:MS_COMMENTS MS acquisition: Metabolites were detected by setting the ion source filament MS:MS_COMMENTS energy to 70 eV, the ion source temperature - 200°C, and the scan range MS:MS_COMMENTS (mass-to-charge (m/z) 35 – 600 Da. Software/procedures used for feature MS:MS_COMMENTS assignments: Labsolution Shimadzu MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples bd_r1 bd_r2 bd_r3 bd_r4 bd_r5 bd_r6 bd_r7 bd_r8 bd_r9 bd_s1 bd_s2 bd_s3 bd_s4 bd_s5 bd_s6 bd_s7 bd_s8 bd_s9 bs_r1 bs_r10 bs_r11 bs_r12 bs_r2 bs_r3 bs_r4 bs_r5 bs_r6 bs_r7 bs_r8 bs_r9 bs_s1 bs_s10 bs_s11 bs_s12 bs_s2 bs_s3 bs_s4 bs_s5 bs_s6 bs_s7 bs_s8 bs_s9 fec_r1 fec_r10 fec_r11 fec_r12 fec_r2 fec_r3 fec_r4 fec_r5 fec_r6 fec_r7 fec_r8 fec_r9 fec_s1 fec_s10 fec_s11 fec_s12 fec_s2 fec_s3 fec_s4 fec_s5 fec_s6 fec_s7 fec_s8 fec_s9 hp_r1 hp_r10 hp_r11 hp_r12 hp_r2 hp_r3 hp_r4 hp_r5 hp_r6 hp_r7 hp_r8 hp_r9 hp_s1 hp_s10 hp_s11 hp_s12 hp_s2 hp_s3 hp_s4 hp_s5 hp_s6 hp_s7 hp_s8 hp_s9 Factors Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Running Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:blood | Treatment:Sedentary Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Running Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:brainstem | Treatment:Sedentary Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Running Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:feces | Treatment:Sedentary Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Running Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary Sample:hippocampus | Treatment:Sedentary 2-Hydroxyglutaric acid 49767826.0000 18308759.0000 69951400.0000 17667333.0000 27460286.0000 22729136.0000 20018174.0000 18676560.0000 42730391.0000 52045542.0000 36316567.0000 21387667.0000 61754905.0000 15752367.0000 40673828.0000 13380222.0000 19162000.0000 38762050.0000 54219810.0000 35248250.0000 17363560.0000 17356931.0000 53705000.0000 50226400.0000 34208826.0000 40202190.0000 24119864.0000 23929957.0000 18730800.0000 34686750.0000 25773357.0000 24228367.0000 18247320.0000 36157864.0000 21456522.0000 20091048.0000 77355550.0000 8966560.0000 35034750.0000 18886286.0000 78089500.0000 109535429.0000 98689182.0000 118726200.0000 101210045.0000 20154080.0000 22535696.0000 8993667.0000 2-Hydroxyisobutyric acid 2316.0000 1335.0000 1646.0000 1689.0000 1727.0000 1912.0000 1335.0000 1844.0000 1940.0000 1434.0000 919.0000 1080.0000 1659.0000 1513.0000 1643.0000 1512.0000 1361.0000 1516.0000 2-Oxoadipic acid 2042.0000 1579.0000 1916.0000 1848.0000 1672.0000 1584.0000 1267.0000 1694.0000 1694.0000 1141.0000 863.0000 1026.0000 1748.0000 1144.0000 1325.0000 1553.0000 1406.0000 1280.0000 3-Hydroxybutyric acid 4212.0000 1830.0000 2136.0000 2455.0000 4538.0000 5908.0000 2416.0000 5201.0000 4370.0000 2995.0000 1406.0000 1420.0000 5666.0000 2994.0000 3668.0000 2593.0000 1853.0000 1775.0000 15137.0000 14270.0000 7404.0000 19621.0000 34404.0000 49931.0000 37672.0000 55449.0000 9206.0000 35303.0000 25961.0000 4460.0000 26030.0000 9827.0000 11808.0000 40526.0000 4765.0000 18985.0000 6719.0000 11083.0000 3262.0000 29753.0000 5717.0000 16830.0000 4-Hydroxybenzeneacetic acid 52224.0000 132055.0000 94416.0000 121699.0000 100757.0000 96696.0000 102481.0000 80269.0000 148740.0000 98049.0000 151242.0000 83865.0000 105541.0000 82304.0000 168751.0000 120586.0000 43349.0000 89343.0000 56187.0000 90824.0000 15256.0000 178952.0000 83548.0000 108991.0000 Aceturic acid 10862.0000 12904.0000 5852.0000 9731.0000 24458.0000 21546.0000 23918.0000 20978.0000 11048.0000 13527.0000 9518.0000 6758.0000 34419.0000 6630.0000 16519.0000 12609.0000 9282.0000 26127.0000 8939.0000 16706.0000 4329.0000 22472.0000 5105.0000 9623.0000 Adrenic acid 31191174.0000 55813448.0000 38717650.0000 38653381.0000 55954905.0000 50859682.0000 45993130.0000 40219200.0000 25445870.0000 25005917.0000 41557367.0000 54674952.0000 48100905.0000 48182500.0000 19937448.0000 38364741.0000 41872154.0000 41015550.0000 28148571.0000 35995750.0000 57681280.0000 17493448.0000 27708381.0000 25161760.0000 34570000.0000 39961333.0000 29796409.0000 26373913.0000 27635500.0000 34000900.0000 15132750.0000 15482633.0000 11678120.0000 19231500.0000 31874739.0000 29203333.0000 35605750.0000 9559160.0000 30043200.0000 24865952.0000 34785000.0000 36758571.0000 38826727.0000 38495400.0000 35018818.0000 24406440.0000 28084000.0000 9437200.0000 Alanine 9276.0000 13101.0000 5235.0000 5022.0000 4007.0000 9143.0000 10506.0000 6667.0000 9816.0000 17544.0000 13097.0000 11693.0000 7564.0000 22447.0000 22942.0000 7172.0000 5117.0000 18349.0000 48331348.0000 20219310.0000 12637600.0000 20302857.0000 31310667.0000 26119318.0000 18674087.0000 21393000.0000 52495304.0000 61358083.0000 46249400.0000 27185667.0000 13069810.0000 17546467.0000 27121862.0000 13630074.0000 24706269.0000 11564850.0000 7692190.0000 11885450.0000 17757920.0000 9124759.0000 24220762.0000 35409640.0000 84728.0000 235733.0000 10066.0000 107501.0000 211837.0000 157672.0000 129145.0000 181521.0000 241991.0000 210649.0000 111233.0000 2409.0000 213802.0000 120128.0000 250266.0000 163293.0000 75053.0000 215563.0000 72346.0000 144759.0000 45429.0000 287096.0000 136414.0000 124579.0000 101249435.0000 148453476.0000 88719727.0000 67116739.0000 45412250.0000 58588450.0000 19211821.0000 19001667.0000 10826960.0000 29573273.0000 57381391.0000 42231619.0000 10957350.0000 5225720.0000 46529450.0000 55193048.0000 11609850.0000 14755952.0000 12830955.0000 14176450.0000 12989091.0000 48016240.0000 45635043.0000 5266800.0000 Arachidonic Acid 83567.0000 154513.0000 47155.0000 137415.0000 98609.0000 113777.0000 100020.0000 67708.0000 181741.0000 132991.0000 98460.0000 28664.0000 82673.0000 98758.0000 211549.0000 167195.0000 117471.0000 115712.0000 72889.0000 95545.0000 27508.0000 114705.0000 101977.0000 92976.0000 Asparagine 6418.0000 4484.0000 4155.0000 4523.0000 4121.0000 5302.0000 3292.0000 4846.0000 5967.0000 3001.0000 2561.0000 2819.0000 4332.0000 3435.0000 3674.0000 4609.0000 4021.0000 3950.0000 62874217.0000 70284759.0000 68453350.0000 18181429.0000 27160048.0000 20683455.0000 24647348.0000 17741600.0000 21876391.0000 20071375.0000 55639067.0000 19829381.0000 66419905.0000 15445067.0000 15151897.0000 12066185.0000 17538885.0000 31241750.0000 52341095.0000 21652100.0000 16064480.0000 8144379.0000 17101476.0000 18702160.0000 15286.0000 103246.0000 10052.0000 15488.0000 52692.0000 48406.0000 50565.0000 52244.0000 73724.0000 55227.0000 21241.0000 4917.0000 46284.0000 8095.0000 101467.0000 20304.0000 55987.0000 124167.0000 15629.0000 99432.0000 4736.0000 71849.0000 16033.0000 17137.0000 33112696.0000 30194714.0000 21852500.0000 18933348.0000 17731750.0000 22548750.0000 10749893.0000 11796733.0000 7084240.0000 14971500.0000 19941435.0000 20388143.0000 67279450.0000 5086720.0000 29089300.0000 17834000.0000 63429750.0000 94356524.0000 90110409.0000 111044650.0000 90223818.0000 18133760.0000 20602130.0000 4417533.0000 Aspartic acid 6837.0000 4614.0000 4324.0000 3830.0000 3681.0000 4661.0000 3453.0000 5024.0000 4531.0000 4322.0000 2337.0000 3397.0000 3767.0000 3071.0000 4538.0000 4779.0000 2796.0000 5016.0000 359362870.0000 211127931.0000 28074300.0000 273010714.0000 339785238.0000 251251000.0000 256793130.0000 262367160.0000 350614130.0000 351213667.0000 323498933.0000 258063905.0000 41502857.0000 205981400.0000 284538552.0000 81097481.0000 244543154.0000 29429350.0000 16543714.0000 147638950.0000 187816920.0000 178552552.0000 368663190.0000 324591920.0000 71063.0000 180383.0000 53911.0000 114379.0000 163718.0000 114553.0000 132531.0000 131303.0000 197452.0000 177692.0000 91236.0000 40358.0000 199559.0000 17644.0000 164412.0000 82096.0000 93399.0000 159838.0000 76372.0000 159036.0000 7954.0000 224160.0000 112389.0000 84252.0000 346992826.0000 387054524.0000 286443818.0000 306281826.0000 237996350.0000 284078700.0000 218205714.0000 209449200.0000 204661640.0000 294667909.0000 264710565.0000 257125095.0000 27954400.0000 80970880.0000 386493100.0000 218562762.0000 30118500.0000 37057429.0000 33993909.0000 39865100.0000 31208136.0000 242921440.0000 248607870.0000 97007833.0000 Behenic acid 27503217.0000 35628483.0000 35069800.0000 26413048.0000 41364000.0000 37151273.0000 32926478.0000 29248680.0000 23212652.0000 22436958.0000 34479833.0000 39148000.0000 44018190.0000 31017667.0000 19199621.0000 22222259.0000 30450654.0000 36290800.0000 26257286.0000 29505250.0000 27626680.0000 16315172.0000 26456095.0000 23505000.0000 22533.0000 38727.0000 11608.0000 39646.0000 82896.0000 62280.0000 66509.0000 61395.0000 29659.0000 70733.0000 52805.0000 10144.0000 46559.0000 19886.0000 42544.0000 32176.0000 25831.0000 54376.0000 39376.0000 35643.0000 39513.0000 53124.0000 16310.0000 52310.0000 23918565.0000 29470952.0000 23571909.0000 20766000.0000 20486850.0000 25557800.0000 15103679.0000 14749400.0000 11168720.0000 18684818.0000 23323913.0000 22747857.0000 31001850.0000 9597680.0000 21596400.0000 19340905.0000 30847950.0000 33118381.0000 33720955.0000 33870150.0000 29550455.0000 18329080.0000 23422957.0000 9099000.0000 beta-Alanine 2715.0000 2338.0000 1657.0000 1661.0000 1864.0000 1771.0000 1410.0000 2148.0000 1877.0000 1445.0000 1114.0000 1313.0000 1876.0000 1400.0000 1793.0000 1778.0000 1521.0000 1438.0000 Capric acid 2225.0000 3945.0000 1771.0000 1703.0000 1763.0000 1869.0000 2315.0000 1797.0000 1782.0000 1470.0000 998.0000 1615.0000 1610.0000 1479.0000 2099.0000 1613.0000 1446.0000 2016.0000 Cholesterol 40596.0000 4464.0000 39120.0000 40688.0000 37678.0000 40377.0000 6868.0000 41124.0000 44427.0000 3508.0000 2092.0000 1938.0000 38885.0000 2781.0000 6957.0000 33482.0000 30775.0000 4478.0000 115957565.0000 241455138.0000 238662950.0000 334002333.0000 310363143.0000 338081045.0000 297177087.0000 266227240.0000 224777261.0000 211422042.0000 238790433.0000 324439048.0000 272044429.0000 219529733.0000 132807966.0000 222511148.0000 260753154.0000 225750700.0000 159148048.0000 304885450.0000 246002160.0000 135966138.0000 172714000.0000 133989360.0000 31585.0000 77483.0000 15356.0000 89512.0000 57467.0000 82355.0000 28478.0000 22156.0000 80618.0000 94326.0000 42202.0000 18236.0000 16920.0000 20769.0000 91903.0000 57700.0000 41622.0000 39087.0000 36602.0000 41788.0000 14090.0000 28262.0000 15317.0000 47389.0000 314932565.0000 354620524.0000 344122545.0000 329453217.0000 359754200.0000 384621500.0000 59460857.0000 85216100.0000 35592440.0000 86129682.0000 341246000.0000 365913190.0000 35422200.0000 25340800.0000 365358200.0000 356755810.0000 24954150.0000 85045667.0000 92772682.0000 66277050.0000 38817682.0000 289118320.0000 325585043.0000 25463267.0000 cis-Erucic acid 23866.0000 32012.0000 10151.0000 22131.0000 47070.0000 45068.0000 47749.0000 47658.0000 25224.0000 42883.0000 27180.0000 9222.0000 44267.0000 17741.0000 44536.0000 26992.0000 26186.0000 48658.0000 32574.0000 35024.0000 11971.0000 48986.0000 12395.0000 24303.0000 Citric acid 25459.0000 19616.0000 16422.0000 18625.0000 19596.0000 28940.0000 14501.0000 21310.0000 24802.0000 17324.0000 10634.0000 12040.0000 17981.0000 18050.0000 29394.0000 18223.0000 17833.0000 19010.0000 112311217.0000 138240310.0000 51912100.0000 144544810.0000 202363714.0000 137990318.0000 134036304.0000 142606480.0000 107685261.0000 118727583.0000 160306500.0000 169324429.0000 126811524.0000 133887033.0000 83878690.0000 124313815.0000 161231385.0000 71941150.0000 26984381.0000 87845550.0000 190632200.0000 38918310.0000 110439667.0000 104361760.0000 175709652.0000 189022857.0000 124216000.0000 129743739.0000 107972150.0000 131783500.0000 82450393.0000 54701067.0000 50872520.0000 128343045.0000 134951565.0000 109507000.0000 38336550.0000 22388440.0000 171127500.0000 113849048.0000 43184950.0000 41323381.0000 47867045.0000 44932850.0000 38351636.0000 105320520.0000 92069565.0000 23959467.0000 Creatinine 25285783.0000 27958172.0000 24440700.0000 21052905.0000 24419905.0000 65861909.0000 16498522.0000 18359000.0000 31946783.0000 26022375.0000 31595767.0000 23581619.0000 21320048.0000 17765000.0000 21726655.0000 9545556.0000 17226538.0000 20463350.0000 17332905.0000 19080350.0000 12374120.0000 12064621.0000 25592190.0000 28150000.0000 35316217.0000 33743857.0000 20721818.0000 22481826.0000 15694200.0000 18529550.0000 14737857.0000 14601000.0000 12171240.0000 21206136.0000 20944087.0000 17682524.0000 24743600.0000 7224360.0000 33854500.0000 21918333.0000 26840850.0000 36812524.0000 38585636.0000 39794000.0000 33504636.0000 16701440.0000 17133261.0000 5843933.0000 DHA 6631.0000 4222.0000 6342.0000 6413.0000 5941.0000 7604.0000 3950.0000 6264.0000 7349.0000 3170.0000 2044.0000 2770.0000 5682.0000 3447.0000 4354.0000 5143.0000 5948.0000 4984.0000 37028130.0000 119726621.0000 45496150.0000 99816952.0000 128102762.0000 125227864.0000 109758261.0000 89817560.0000 38524478.0000 38669750.0000 88182300.0000 118458238.0000 61470048.0000 109965333.0000 27278103.0000 84811778.0000 91666231.0000 50845550.0000 29889381.0000 57006100.0000 152120000.0000 25301966.0000 38880667.0000 33301560.0000 35251.0000 66177.0000 11460.0000 26072.0000 47703.0000 46976.0000 53714.0000 48783.0000 32004.0000 43667.0000 34551.0000 9918.0000 47862.0000 22184.0000 57360.0000 35953.0000 38872.0000 68576.0000 35342.0000 54418.0000 12948.0000 77139.0000 18580.0000 30077.0000 72123478.0000 74735762.0000 52602500.0000 48923522.0000 50389400.0000 65737450.0000 19473536.0000 18765367.0000 13897280.0000 26383409.0000 59620826.0000 52302619.0000 36985550.0000 10566880.0000 59722350.0000 44402381.0000 35510600.0000 38839048.0000 40961045.0000 40074400.0000 35256409.0000 41400800.0000 44073174.0000 10678233.0000 Elaidamide 36536000.0000 53238069.0000 56107050.0000 35502000.0000 58176571.0000 56884000.0000 66732522.0000 42300760.0000 29240565.0000 32495917.0000 63761367.0000 63091714.0000 67334238.0000 43735767.0000 28008759.0000 61439481.0000 48027923.0000 55068000.0000 32880952.0000 60809050.0000 88366680.0000 18772310.0000 42659048.0000 35229920.0000 32670870.0000 54839095.0000 33502000.0000 31758652.0000 28552100.0000 39225400.0000 17676464.0000 17444700.0000 13603280.0000 22280818.0000 40354217.0000 29524476.0000 40387600.0000 8625560.0000 36532400.0000 23380286.0000 38046450.0000 49244857.0000 56630091.0000 56945100.0000 46562955.0000 21936200.0000 30673391.0000 7584100.0000 Fumaric acid 2635.0000 1738.0000 1939.0000 1975.0000 2083.0000 2551.0000 1541.0000 2416.0000 2135.0000 1745.0000 1433.0000 1412.0000 2011.0000 1748.0000 2550.0000 1905.0000 1867.0000 1789.0000 20856.0000 32104.0000 12289.0000 24585.0000 44950.0000 38776.0000 44098.0000 35317.0000 40520.0000 31035.0000 33105.0000 13004.0000 169745.0000 15680.0000 52813.0000 24944.0000 13295.0000 57529.0000 17452.0000 32245.0000 5403.0000 130019.0000 13781.0000 22041.0000 gamma-Aminobutyric acid 194031043.0000 157075414.0000 20686450.0000 190029952.0000 305448810.0000 183306773.0000 217083130.0000 194287080.0000 198631348.0000 185698208.0000 278260867.0000 200478238.0000 27275905.0000 137107633.0000 122413483.0000 71786519.0000 192885538.0000 24390000.0000 15922476.0000 73091550.0000 154845400.0000 63246138.0000 177526048.0000 157976720.0000 380208391.0000 386273524.0000 300796091.0000 300422174.0000 186566700.0000 221215200.0000 125887357.0000 114757333.0000 35401840.0000 144073818.0000 195093957.0000 246255333.0000 21644000.0000 15771960.0000 301714350.0000 158806571.0000 19626050.0000 43267619.0000 26320364.0000 29975250.0000 24766545.0000 263642360.0000 247086087.0000 14309300.0000 Glutamic acid 17955.0000 16188.0000 7807.0000 8035.0000 9775.0000 12231.0000 10505.0000 11680.0000 11829.0000 14119.0000 10007.0000 14006.0000 8325.0000 9082.0000 12614.0000 8259.0000 5751.0000 12978.0000 285974043.0000 149707552.0000 61684550.0000 171759476.0000 262276762.0000 171049864.0000 159701304.0000 178082240.0000 322414826.0000 307480417.0000 262230567.0000 173192619.0000 58002143.0000 139037533.0000 250668000.0000 51083259.0000 166187423.0000 29423400.0000 41227857.0000 87048300.0000 129943320.0000 142453276.0000 337681524.0000 290974920.0000 160318.0000 214714.0000 13823.0000 135915.0000 247659.0000 229515.0000 212872.0000 239933.0000 222459.0000 236814.0000 155332.0000 18367.0000 189673.0000 148383.0000 231782.0000 220396.0000 129880.0000 177933.0000 126609.0000 158135.0000 63385.0000 260233.0000 166735.0000 183012.0000 358877826.0000 359694714.0000 290043455.0000 290835652.0000 260622600.0000 303544800.0000 245870929.0000 206308967.0000 228642200.0000 336056182.0000 256696783.0000 199476190.0000 64967150.0000 153564360.0000 386076450.0000 273067333.0000 70922600.0000 73123000.0000 82947227.0000 76704400.0000 65859455.0000 226210320.0000 233294478.0000 134341067.0000 Glutamine 10258.0000 9550.0000 9898.0000 9333.0000 7462.0000 8582.0000 6521.0000 9930.0000 12591.0000 6855.0000 4555.0000 5009.0000 8990.0000 9777.0000 6459.0000 8745.0000 5886.0000 7920.0000 34379086.9600 22878413.7900 31278600.0000 23681238.1000 30253142.8600 31063681.8200 24509304.3500 21114160.0000 52182000.0000 38040791.6700 39293466.6700 25409571.4300 35535047.6200 19032266.6700 29288655.1700 17760259.2600 21736076.9200 30996100.0000 18557952.3800 31493700.0000 26536480.0000 14947689.6600 36612000.0000 40117840.0000 28220.0000 33988.0000 4886.0000 12131.0000 42811.0000 37588.0000 42350.0000 42619.0000 57474.0000 36091.0000 15518.0000 5641.0000 50142.0000 18221.0000 40631.0000 19465.0000 19436.0000 59147.0000 19082.0000 29749.0000 6654.0000 46453.0000 21424.0000 14553.0000 45669391.3000 49839428.5700 28940136.3600 29254956.5200 21950400.0000 30404000.0000 22948607.1400 21043333.3300 16880920.0000 31749909.0900 29256695.6500 25143571.4300 29034100.0000 9259400.0000 36505200.0000 20172523.8100 31379200.0000 36966095.2400 36734227.2700 40642400.0000 32345454.5500 20865400.0000 27895478.2600 7766733.3330 Glyceric acid 80840.0000 206911.0000 38440.0000 84895.0000 106756.0000 97274.0000 101815.0000 104088.0000 195810.0000 164828.0000 102105.0000 20759.0000 141874.0000 80715.0000 210287.0000 121873.0000 92354.0000 184971.0000 62690.0000 148107.0000 18377.0000 206622.0000 117956.0000 88009.0000 Glycerol 502019826.0000 34528517.0000 685304850.0000 43859619.0000 76438333.0000 33404091.0000 49621957.0000 54991520.0000 504369522.0000 490859917.0000 68073367.0000 61420333.0000 625640143.0000 41121567.0000 419416897.0000 52040407.0000 60965500.0000 607165050.0000 600924000.0000 612478200.0000 111482840.0000 369468310.0000 555590905.0000 476305040.0000 63351174.0000 61704762.0000 36859000.0000 36874304.0000 27273000.0000 31782800.0000 440099571.0000 393022967.0000 430884600.0000 530916727.0000 36447565.0000 31162238.0000 695178200.0000 428088720.0000 58994900.0000 34314286.0000 681401600.0000 656668429.0000 625056909.0000 681275650.0000 612056136.0000 33561200.0000 27394000.0000 353770800.0000 Glycine 17633.0000 9862.0000 8602.0000 8613.0000 8170.0000 11241.0000 6640.0000 9418.0000 10974.0000 6780.0000 7759.0000 8277.0000 9042.0000 10844.0000 7588.0000 9609.0000 8374.0000 9869.0000 113306739.0000 140174828.0000 24582800.0000 171736619.0000 221618857.0000 150942364.0000 147122478.0000 150156400.0000 89747652.0000 86687708.0000 225903600.0000 208143619.0000 82701619.0000 146278400.0000 83946655.0000 104608111.0000 182246115.0000 73104000.0000 8979095.0000 75169550.0000 156042800.0000 20669621.0000 111869714.0000 104257520.0000 92942.0000 228753.0000 48753.0000 129568.0000 125413.0000 124378.0000 133086.0000 122680.0000 238866.0000 185595.0000 119837.0000 8522.0000 180576.0000 131895.0000 246823.0000 161262.0000 86786.0000 176003.0000 55002.0000 146256.0000 20231.0000 267976.0000 161183.0000 116672.0000 200810391.0000 173557762.0000 122060636.0000 118218522.0000 76315950.0000 103968900.0000 25936821.0000 20927433.0000 8844040.0000 38429455.0000 77517609.0000 93818667.0000 19699750.0000 6014200.0000 85681800.0000 77731429.0000 17747800.0000 13750524.0000 25159091.0000 19573600.0000 20391409.0000 106644840.0000 91727130.0000 5179267.0000 Glycolic acid 4324.0000 2631.0000 2952.0000 2717.0000 3307.0000 4134.0000 2396.0000 3980.0000 3622.0000 2505.0000 1612.0000 1841.0000 3071.0000 2612.0000 3356.0000 2887.0000 2402.0000 2898.0000 20101000.0000 10642379.0000 29919650.0000 11009810.0000 13449000.0000 13665818.0000 10883261.0000 10183680.0000 15951304.0000 17480250.0000 16133533.0000 13189048.0000 25385048.0000 8869667.0000 14371069.0000 8327111.0000 10117462.0000 18982150.0000 17409571.0000 14497800.0000 11421880.0000 7891621.0000 20567571.0000 16204040.0000 15042.0000 10731.0000 5632.0000 24371.0000 91189.0000 63003.0000 65005.0000 71554.0000 9606.0000 38787.0000 25093.0000 7042.0000 20171.0000 9768.0000 18440.0000 28911.0000 6766.0000 15189.0000 13238.0000 10393.0000 7089.0000 22000.0000 7522.0000 28155.0000 13769043.0000 18303286.0000 12288864.0000 10856130.0000 9036600.0000 11307950.0000 10679929.0000 13407267.0000 6817480.0000 12260364.0000 11108739.0000 10001857.0000 27299650.0000 5714240.0000 13804850.0000 9834333.0000 23748700.0000 36409524.0000 32595909.0000 38354900.0000 35512136.0000 8649200.0000 9613217.0000 4897400.0000 Hypoxanthine 214628870.0000 54693793.0000 54295000.0000 80260381.0000 134809238.0000 53896227.0000 71652652.0000 71359760.0000 198178304.0000 197583208.0000 146112600.0000 63319810.0000 35669571.0000 52548267.0000 151953138.0000 26887667.0000 72563769.0000 30080000.0000 38292857.0000 53111400.0000 59243120.0000 45837931.0000 195504905.0000 86122640.0000 90090.0000 96828.0000 34643.0000 138334.0000 178334.0000 147465.0000 167990.0000 156003.0000 75466.0000 141119.0000 140608.0000 6118.0000 118913.0000 119847.0000 104146.0000 145128.0000 28720.0000 66856.0000 70305.0000 61719.0000 17573.0000 125629.0000 52107.0000 154713.0000 96522783.0000 56378905.0000 47892409.0000 85143783.0000 27949550.0000 31595300.0000 83395500.0000 101264333.0000 72087880.0000 116470500.0000 33039696.0000 43406810.0000 55326750.0000 32850640.0000 189951900.0000 64850286.0000 55553150.0000 77805762.0000 72470955.0000 85055400.0000 73641273.0000 62952600.0000 42453609.0000 32688367.0000 Iminodiacetate 40849.0000 107428.0000 102530.0000 135658.0000 47313.0000 53047.0000 67357.0000 56625.0000 80079.0000 99871.0000 119441.0000 98312.0000 189979.0000 92938.0000 134218.0000 143121.0000 42156.0000 61740.0000 54796.0000 57641.0000 31653.0000 195000.0000 86378.0000 125567.0000 Indole-3-carboxylic acid 16944.0000 30081.0000 6393.0000 17479.0000 81541.0000 74162.0000 72106.0000 94371.0000 35299.0000 64092.0000 22993.0000 4442.0000 92450.0000 12545.0000 43507.0000 33997.0000 14469.0000 37892.0000 21546.0000 27160.0000 8965.0000 42691.0000 9866.0000 26831.0000 Isoleucine 2643.0000 2642.0000 1541.0000 1919.0000 1637.0000 2217.0000 1542.0000 1198.0000 2646.0000 2023.0000 1236.0000 1745.0000 1880.0000 2357.0000 2979.0000 1641.0000 452.0000 2551.0000 19116739.0000 14229276.0000 25337950.0000 13694286.0000 18015238.0000 15159091.0000 13891957.0000 13490640.0000 17853565.0000 17462833.0000 19799100.0000 14992238.0000 14699476.0000 11285867.0000 14188897.0000 9316778.0000 13287500.0000 13863800.0000 14583762.0000 13188700.0000 13568720.0000 6401621.0000 17032571.0000 16658400.0000 91120.0000 224194.0000 6469.0000 55920.0000 135174.0000 108862.0000 100754.0000 128991.0000 243548.0000 179630.0000 53070.0000 3916.0000 201879.0000 38887.0000 231629.0000 89620.0000 117656.0000 205057.0000 85946.0000 162472.0000 56505.0000 271734.0000 144023.0000 91654.0000 20025130.0000 27386857.0000 16481818.0000 15672783.0000 11398100.0000 14729000.0000 10467500.0000 9451300.0000 7434520.0000 13486682.0000 14413652.0000 12707905.0000 24201600.0000 5774200.0000 17840000.0000 13011571.0000 24077750.0000 37002619.0000 27411318.0000 35232600.0000 26742000.0000 11479000.0000 11388913.0000 4630700.0000 Isopropylmalic acid 12588.0000 15565.0000 4035.0000 15534.0000 47844.0000 38735.0000 43305.0000 40062.0000 12807.0000 30934.0000 14290.0000 3877.0000 30058.0000 7789.0000 18960.0000 17832.0000 11419.0000 27609.0000 16789.0000 18076.0000 5226.0000 27202.0000 6632.0000 15155.0000 Lactic acid 79405.0000 76269.0000 46762.0000 50591.0000 71953.0000 85329.0000 97653.0000 89312.0000 81743.0000 113539.0000 97654.0000 80934.0000 72397.0000 107517.0000 115150.0000 80713.0000 55443.0000 71234.0000 440196696.0000 293621483.0000 510965850.0000 367810952.0000 465402333.0000 352668227.0000 383500217.0000 345430400.0000 441869565.0000 428777208.0000 452216633.0000 462600286.0000 486203857.0000 281764600.0000 358729586.0000 326915704.0000 407636885.0000 479957100.0000 458793762.0000 436087500.0000 396537920.0000 244643655.0000 489204286.0000 415299920.0000 186835.0000 273191.0000 259416.0000 284372.0000 257322.0000 263410.0000 281097.0000 226836.0000 271479.0000 234528.0000 287413.0000 247466.0000 235067.0000 234958.0000 319488.0000 286308.0000 172856.0000 240054.0000 190324.0000 206393.0000 166283.0000 356642.0000 228281.0000 289573.0000 482769783.0000 655672095.0000 533999773.0000 474748261.0000 416701550.0000 445184000.0000 364921500.0000 331858333.0000 353580200.0000 455900455.0000 422759217.0000 382293381.0000 531271200.0000 274174120.0000 561740450.0000 424904000.0000 485909400.0000 512800905.0000 491176182.0000 546159500.0000 486888091.0000 371282880.0000 403055652.0000 255441133.0000 Leucine 7541.0000 6451.0000 3904.0000 5004.0000 2627.0000 4124.0000 3244.0000 2362.0000 6784.0000 5635.0000 3474.0000 4040.0000 5258.0000 6873.0000 6205.0000 3375.0000 927.0000 6923.0000 36057652.0000 12934448.0000 11719400.0000 15016571.0000 21958381.0000 16684364.0000 12372000.0000 15692800.0000 29230913.0000 27759958.0000 26987867.0000 15201095.0000 12476429.0000 11466533.0000 24489379.0000 7518037.0000 15335077.0000 10969800.0000 10071619.0000 14265200.0000 10987760.0000 8310690.0000 28622190.0000 26014240.0000 131019.0000 270826.0000 42801.0000 84719.0000 187640.0000 159769.0000 143192.0000 179371.0000 273698.0000 223535.0000 89795.0000 34662.0000 228198.0000 63080.0000 283829.0000 119267.0000 161852.0000 233526.0000 123957.0000 200047.0000 69246.0000 306175.0000 188173.0000 134902.0000 38149087.0000 48836619.0000 24755364.0000 27478913.0000 16135650.0000 20570900.0000 15114500.0000 13003167.0000 10804440.0000 20425909.0000 20636609.0000 18359714.0000 17274300.0000 6752680.0000 29337900.0000 18635619.0000 15754950.0000 17520000.0000 17069773.0000 18405750.0000 15316500.0000 19017920.0000 17471478.0000 5807067.0000 Lignoceric acid 18820.0000 23682.0000 9599.0000 15694.0000 36037.0000 36970.0000 40028.0000 35502.0000 18412.0000 31040.0000 22119.0000 8986.0000 30565.0000 14197.0000 37040.0000 22677.0000 26394.0000 39624.0000 26164.0000 27460.0000 10093.0000 40271.0000 9864.0000 19782.0000 Linoleic acid 310693.0000 322986.0000 165814.0000 311755.0000 311993.0000 301752.0000 334735.0000 258082.0000 312354.0000 239568.0000 312957.0000 163932.0000 193338.0000 250179.0000 326902.0000 271372.0000 228318.0000 223729.0000 207806.0000 211587.0000 222728.0000 317637.0000 291075.0000 320062.0000 Lysine 10239.0000 8617.0000 7478.0000 7727.0000 6411.0000 8668.0000 5956.0000 8040.0000 11153.0000 5246.0000 3824.0000 6212.0000 7616.0000 7325.0000 5348.0000 6073.0000 4920.0000 8320.0000 Malic acid 13158.0000 7560.0000 6224.0000 6989.0000 8246.0000 13681.0000 5665.0000 11633.0000 10973.0000 7861.0000 5032.0000 4954.0000 7982.0000 7165.0000 14366.0000 7689.0000 5625.0000 6975.0000 209745652.0000 71696345.0000 159688650.0000 71879429.0000 120055381.0000 90197000.0000 80588652.0000 72861040.0000 223634913.0000 227862208.0000 132194067.0000 80921095.0000 254734381.0000 62935867.0000 179964759.0000 61709074.0000 84059615.0000 188938200.0000 120685095.0000 163479000.0000 81380680.0000 79019621.0000 252716048.0000 216439920.0000 63541.0000 116965.0000 49608.0000 89795.0000 122302.0000 112853.0000 119296.0000 87622.0000 158315.0000 80115.0000 148123.0000 43809.0000 154763.0000 59666.0000 157043.0000 77148.0000 50296.0000 124219.0000 53408.0000 99899.0000 6188.0000 191299.0000 58676.0000 80855.0000 156391913.0000 182963714.0000 116329364.0000 122703087.0000 74635900.0000 89696500.0000 147679821.0000 140898867.0000 113135440.0000 200082727.0000 83229609.0000 73580190.0000 153127100.0000 68867000.0000 173553450.0000 94365095.0000 126434550.0000 79694524.0000 123435091.0000 94980850.0000 102745682.0000 92928680.0000 89728609.0000 63447100.0000 Methionine 4975.0000 2945.0000 3130.0000 3742.0000 2784.0000 3818.0000 2136.0000 2663.0000 4942.0000 2930.0000 2134.0000 2258.0000 3628.0000 3833.0000 3048.0000 3027.0000 3031.0000 4126.0000 68951.0000 170495.0000 6582.0000 58029.0000 123806.0000 103582.0000 83451.0000 120200.0000 178920.0000 146183.0000 54360.0000 4493.0000 162504.0000 43325.0000 188705.0000 86964.0000 87746.0000 155829.0000 73531.0000 93803.0000 25815.0000 202987.0000 98293.0000 84186.0000 Methylmalonic acid 5637.0000 2465.0000 2351.0000 2740.0000 2881.0000 4117.0000 2256.0000 3476.0000 3438.0000 2904.0000 1506.0000 1669.0000 3010.0000 2264.0000 20059.0000 2799.0000 2407.0000 2561.0000 Myristic acid 5387.0000 7420.0000 3119.0000 3488.0000 4069.0000 5527.0000 4969.0000 4826.0000 4761.0000 2277.0000 1514.0000 2843.0000 3536.0000 2732.0000 3905.0000 3032.0000 2721.0000 4034.0000 30393348.0000 22201345.0000 275835800.0000 16492190.0000 24106619.0000 22743682.0000 17693217.0000 16752960.0000 24767348.0000 20515208.0000 27274100.0000 20831095.0000 52350048.0000 16539700.0000 18754241.0000 12604926.0000 16473577.0000 48339800.0000 57996762.0000 36155950.0000 15783840.0000 13265276.0000 22847238.0000 31785160.0000 193152.0000 194731.0000 35936.0000 140066.0000 160867.0000 138016.0000 194928.0000 143179.0000 175468.0000 62907.0000 155635.0000 47658.0000 126187.0000 89112.0000 198763.0000 97014.0000 170075.0000 156629.0000 115728.0000 141221.0000 13851.0000 203954.0000 111281.0000 147674.0000 29594435.0000 39137952.0000 24527045.0000 15089565.0000 25174900.0000 31735850.0000 13374643.0000 16440967.0000 8442440.0000 21646273.0000 26004348.0000 32740810.0000 168280800.0000 6275440.0000 22969600.0000 17407381.0000 114535300.0000 345623381.0000 141439682.0000 296200350.0000 166337000.0000 25243400.0000 34030304.0000 5789700.0000 N-Acetylaspartic acid 3315.0000 2124.0000 2013.0000 2146.0000 2296.0000 2730.0000 1724.0000 2540.0000 2608.0000 1576.0000 1052.0000 1300.0000 2166.0000 1523.0000 2213.0000 2014.0000 1785.0000 1723.0000 297048696.0000 130160310.0000 215170950.0000 153467476.0000 254614429.0000 140405727.0000 152733130.0000 148727080.0000 354013261.0000 339426500.0000 266559567.0000 160994238.0000 336261714.0000 129060133.0000 262708276.0000 114308074.0000 174504231.0000 267400600.0000 168792429.0000 274879650.0000 167556280.0000 155328241.0000 377711905.0000 328692800.0000 366089957.0000 397781286.0000 276825409.0000 297556913.0000 236723350.0000 272906950.0000 281215000.0000 237847067.0000 279652000.0000 370515500.0000 243297391.0000 213741952.0000 312090450.0000 185127560.0000 412491100.0000 234321048.0000 278898900.0000 152663952.0000 294870409.0000 267058400.0000 311672864.0000 228482000.0000 223419609.0000 159103700.0000 N-acetylglutamic acid 183226130.0000 62565793.0000 29311950.0000 65483762.0000 109159810.0000 64905955.0000 75159435.0000 69281680.0000 193336739.0000 171652583.0000 149224600.0000 101561476.0000 348026476.0000 58642267.0000 180763172.0000 109422259.0000 75577577.0000 315558850.0000 76546667.0000 290682200.0000 119355720.0000 76837172.0000 270621333.0000 220808160.0000 155443.0000 250955.0000 129799.0000 196637.0000 253540.0000 240073.0000 235311.0000 244420.0000 240831.0000 262210.0000 180891.0000 104157.0000 177280.0000 140260.0000 263962.0000 207930.0000 156203.0000 181170.0000 124938.0000 196145.0000 56262.0000 264323.0000 199673.0000 192419.0000 183068609.0000 215852238.0000 108423227.0000 121508652.0000 85239300.0000 103786400.0000 201630286.0000 157234733.0000 175205160.0000 253377273.0000 106981391.0000 73161190.0000 112473200.0000 146082200.0000 189661500.0000 92163286.0000 56231400.0000 38411429.0000 106806727.0000 43464900.0000 75732545.0000 84563800.0000 80297130.0000 115500533.0000 Niacinamide 5234.0000 2766.0000 3168.0000 3312.0000 3263.0000 3956.0000 2074.0000 4551.0000 4975.0000 2557.0000 1638.0000 1992.0000 3761.0000 2437.0000 2833.0000 3399.0000 2521.0000 3031.0000 51035652.0000 16043655.0000 11967750.0000 17370714.0000 28128571.0000 17750727.0000 17440130.0000 16867080.0000 45490174.0000 51205292.0000 43225000.0000 21552429.0000 14366524.0000 13966867.0000 39232552.0000 11002519.0000 19996885.0000 11837850.0000 8747762.0000 25966000.0000 19154440.0000 13061138.0000 55002571.0000 44616280.0000 41409261.0000 44307762.0000 26305318.0000 27456609.0000 18077200.0000 22865000.0000 26950500.0000 23615533.0000 17072920.0000 32820864.0000 21570696.0000 18880810.0000 10587800.0000 10447800.0000 40924550.0000 20618619.0000 10646200.0000 14573714.0000 12920500.0000 13724950.0000 12153955.0000 19537880.0000 19764652.0000 9920367.0000 Norvaline 7510.0000 12005.0000 7866.0000 12374.0000 25784.0000 22606.0000 29875.0000 18319.0000 8322.0000 13068.0000 10409.0000 9331.0000 22582.0000 7002.0000 13694.0000 13304.0000 6388.0000 18179.0000 9028.0000 16377.0000 4482.0000 20911.0000 5224.0000 12891.0000 Oleamide 36322130.0000 147197862.0000 258592500.0000 152126952.0000 189119333.0000 211416182.0000 161562565.0000 183679920.0000 42383000.0000 30329417.0000 122379200.0000 169694429.0000 170031524.0000 134103500.0000 25029276.0000 30904704.0000 136996077.0000 233378900.0000 95342714.0000 82012950.0000 64043880.0000 25954655.0000 47789286.0000 210074960.0000 105766.0000 101822.0000 7901.0000 39145.0000 65128.0000 68384.0000 86665.0000 117753.0000 116928.0000 108026.0000 50855.0000 6991.0000 67593.0000 51798.0000 83570.0000 69874.0000 60109.0000 68497.0000 94332.0000 76253.0000 13413.0000 78324.0000 60105.0000 45526.0000 188355652.0000 279209095.0000 183767545.0000 58459870.0000 233045650.0000 276733500.0000 24169607.0000 41697667.0000 15813240.0000 49988591.0000 192090609.0000 282454429.0000 161144000.0000 10855000.0000 108276450.0000 106909905.0000 221331800.0000 90597952.0000 225296909.0000 89477000.0000 91042045.0000 212181560.0000 294715304.0000 9241233.0000 Oleic Acid 37507.0000 59495.0000 24784.0000 25629.0000 33101.0000 49628.0000 48381.0000 39772.0000 36597.0000 32688.0000 10325.0000 33546.0000 24316.0000 24730.0000 48793.0000 21385.0000 21073.0000 35476.0000 69581696.0000 234594724.0000 252713950.0000 256401143.0000 292964286.0000 225175955.0000 255437565.0000 245007720.0000 86819826.0000 73685875.0000 199879267.0000 290983286.0000 204883857.0000 227464733.0000 61128828.0000 246911185.0000 240513154.0000 229904500.0000 107026714.0000 155200000.0000 322067200.0000 77523034.0000 103849476.0000 193012640.0000 318848.0000 233873.0000 25805.0000 224903.0000 243955.0000 217828.0000 348320.0000 163146.0000 223423.0000 205316.0000 238511.0000 29849.0000 138294.0000 91144.0000 245531.0000 132316.0000 229380.0000 195775.0000 165174.0000 173115.0000 112933.0000 246846.0000 213867.0000 244172.0000 242920565.0000 306610286.0000 223762227.0000 159719435.0000 252215500.0000 287394550.0000 34690214.0000 46204433.0000 21208960.0000 55430500.0000 230847435.0000 291881000.0000 146684150.0000 14130040.0000 195275600.0000 128813286.0000 210696750.0000 108504857.0000 200079818.0000 107235350.0000 98736545.0000 226113680.0000 282733826.0000 13513033.0000 Oxalic acid 16027.0000 47577.0000 5167.0000 9379.0000 23965.0000 20053.0000 22212.0000 18707.0000 90212.0000 19710.0000 8706.0000 3960.0000 68950.0000 7872.0000 48709.0000 10018.0000 12218.0000 48230.0000 15403.0000 31389.0000 4466.0000 61785.0000 11996.0000 9382.0000 Palmitic Acid 36783.0000 70799.0000 24654.0000 27290.0000 36337.0000 49974.0000 57250.0000 42445.0000 34294.0000 25552.0000 12355.0000 40490.0000 26650.0000 11473.0000 48676.0000 25789.0000 25529.0000 38753.0000 84548870.0000 232386207.0000 236547550.0000 263594095.0000 306050048.0000 251746273.0000 274576000.0000 233447840.0000 95757435.0000 65852208.0000 229799800.0000 279393952.0000 216739286.0000 220469300.0000 56581069.0000 230514222.0000 241870500.0000 275427400.0000 84778952.0000 197647000.0000 317624480.0000 79832000.0000 88874476.0000 234969880.0000 274538.0000 281917.0000 184790.0000 280187.0000 277917.0000 276587.0000 274045.0000 271254.0000 269449.0000 256334.0000 275321.0000 200771.0000 201471.0000 257622.0000 300073.0000 273753.0000 211847.0000 212271.0000 207277.0000 210069.0000 217096.0000 298494.0000 259910.0000 279763.0000 307999174.0000 389673429.0000 296621727.0000 193618739.0000 319270400.0000 366679950.0000 49299500.0000 68063133.0000 27160240.0000 111983864.0000 306958087.0000 364600000.0000 122417250.0000 18244960.0000 253242700.0000 189013429.0000 166523000.0000 103274381.0000 147133000.0000 98091800.0000 85795955.0000 283483360.0000 355231043.0000 15472267.0000 Palmitoleic acid 5373.0000 5642.0000 3281.0000 3397.0000 4496.0000 5000.0000 3831.0000 4636.0000 4244.0000 2214.0000 1454.0000 2444.0000 3037.0000 2062.0000 3463.0000 3132.0000 2883.0000 2982.0000 248987.0000 247342.0000 70205.0000 187503.0000 208869.0000 170899.0000 249009.0000 187028.0000 234312.0000 137830.0000 211715.0000 94185.0000 161782.0000 167557.0000 246873.0000 176316.0000 207974.0000 191508.0000 181126.0000 171716.0000 87850.0000 263533.0000 220549.0000 222366.0000 Pentadecanoic acid 4232.0000 3118.0000 2657.0000 2798.0000 3024.0000 3705.0000 2218.0000 3463.0000 3314.0000 1707.0000 1170.0000 1636.0000 2632.0000 1800.0000 2323.0000 3043.0000 2217.0000 2342.0000 21580.0000 19425.0000 4105.0000 17546.0000 45566.0000 47246.0000 39211.0000 39944.0000 16904.0000 43437.0000 15965.0000 4236.0000 36652.0000 9216.0000 26293.0000 21063.0000 14859.0000 32576.0000 17037.0000 20854.0000 15189.0000 35501.0000 7872.0000 19235.0000 Phenaceturic acid 14633.0000 15598.0000 4583.0000 16947.0000 48102.0000 37830.0000 37167.0000 46668.0000 12885.0000 28069.0000 13913.0000 4819.0000 31508.0000 8760.0000 23530.0000 17872.0000 10150.0000 27622.0000 16169.0000 19677.0000 4992.0000 31438.0000 7064.0000 15230.0000 Phenylacetic acid 7076.0000 5811.0000 2556.0000 13329.0000 17115.0000 16329.0000 15352.0000 18664.0000 4683.0000 13266.0000 10390.0000 3017.0000 11977.0000 4340.0000 6532.0000 10331.0000 3979.0000 10241.0000 9978.0000 6857.0000 5221.0000 9416.0000 3409.0000 15813.0000 Phenylalanine 7341.0000 3325.0000 2690.0000 1689.0000 2912.0000 6958.0000 1985.0000 746.0000 149.0000 1907.0000 2725.0000 1963.0000 4953.0000 1532.0000 6489.0000 4014.0000 2943.0000 3737.0000 33449652.0000 22211724.0000 77669000.0000 22363714.0000 31816476.0000 26889409.0000 21988870.0000 21812560.0000 48556217.0000 37080583.0000 35835633.0000 26076143.0000 35986667.0000 20422733.0000 32258966.0000 14198630.0000 22505077.0000 28999650.0000 32028952.0000 25827950.0000 21036000.0000 15453897.0000 42011190.0000 41310880.0000 85712.0000 217988.0000 9160.0000 87076.0000 132458.0000 118720.0000 92837.0000 130483.0000 219661.0000 175403.0000 77980.0000 7326.0000 192383.0000 55367.0000 238681.0000 106626.0000 135897.0000 202130.0000 94512.0000 147710.0000 50008.0000 247932.0000 144040.0000 103621.0000 46402565.0000 42315429.0000 23397591.0000 24742609.0000 17246700.0000 21394650.0000 20893429.0000 19009367.0000 15434960.0000 28841773.0000 20661652.0000 18340905.0000 80308150.0000 8675320.0000 40276700.0000 19728000.0000 68503600.0000 95282714.0000 102014136.0000 126962650.0000 109874273.0000 18225040.0000 17950957.0000 7190100.0000 Phthalic acid 7784.0000 6644.0000 4974.0000 5128.0000 7064.0000 10280.0000 4407.0000 6545.0000 6540.0000 4652.0000 2291.0000 3948.0000 4922.0000 4443.0000 6331.0000 4147.0000 4209.0000 4675.0000 Pipecolic acid 2090.0000 1184.0000 1492.0000 1605.0000 1643.0000 1736.0000 1293.0000 1947.0000 1889.0000 1325.0000 979.0000 989.0000 1571.0000 1334.0000 1703.0000 1692.0000 1388.0000 1173.0000 Proline 93832.0000 182308.0000 24940.0000 30919.0000 122037.0000 101226.0000 99962.0000 118131.0000 201469.0000 150449.0000 35321.0000 87827.0000 191274.0000 38530.0000 183821.0000 88837.0000 76246.0000 190027.0000 60665.0000 112657.0000 16807.0000 240105.0000 91902.0000 66733.0000 Pyroglutamic acid 30414.0000 9950.0000 17503.0000 18151.0000 17900.0000 23599.0000 8054.0000 21642.0000 24138.0000 11868.0000 9530.0000 6444.0000 18423.0000 15734.0000 15633.0000 16654.0000 15425.0000 12500.0000 265608000.0000 129980897.0000 44058400.0000 292563143.0000 264013190.0000 134683682.0000 165368826.0000 158803720.0000 352630043.0000 249445667.0000 287779133.0000 188170286.0000 53738381.0000 126844367.0000 210413414.0000 84291926.0000 170067500.0000 35435050.0000 30471476.0000 173886650.0000 149792800.0000 97746276.0000 297736095.0000 300088200.0000 89412.0000 215898.0000 230598.0000 24119.0000 166345.0000 227790.0000 210849.0000 169101.0000 163472.0000 168897.0000 152762.0000 186333.0000 189554.0000 95490.0000 262928.0000 154967.0000 66043.0000 183193.0000 34015.0000 158524.0000 7112.0000 209264.0000 17412.0000 40581.0000 411861435.0000 325517857.0000 203367318.0000 231738391.0000 166033000.0000 181652200.0000 206921357.0000 185514967.0000 207094080.0000 257590091.0000 179265261.0000 154188429.0000 40509700.0000 158185720.0000 467919850.0000 177270095.0000 35043450.0000 54461143.0000 54766182.0000 60803750.0000 57353318.0000 171090120.0000 161525870.0000 84561367.0000 Serine 14539.0000 11258.0000 8174.0000 8437.0000 6825.0000 10593.0000 7346.0000 9084.0000 11327.0000 10829.0000 8544.0000 9025.0000 8294.0000 12256.0000 11789.0000 9978.0000 6176.0000 12522.0000 32715739.0000 19640759.0000 80335850.0000 21546810.0000 29375952.0000 20297409.0000 21500043.0000 18496560.0000 26768522.0000 20731292.0000 40974400.0000 29361571.0000 113374524.0000 16878467.0000 26768241.0000 25787481.0000 22682538.0000 72644300.0000 52765571.0000 68155050.0000 37459800.0000 10313138.0000 40538619.0000 31542160.0000 123651.0000 260503.0000 8535.0000 54213.0000 271735.0000 230371.0000 239472.0000 262298.0000 265100.0000 260875.0000 66262.0000 7573.0000 217637.0000 61497.0000 266071.0000 103926.0000 126543.0000 210677.0000 77291.0000 194797.0000 10937.0000 301545.0000 147806.0000 85667.0000 17308087.0000 21158238.0000 12848955.0000 12120739.0000 9357350.0000 13060800.0000 35048286.0000 25196533.0000 19512800.0000 37670864.0000 14092348.0000 9614476.0000 130504500.0000 16785640.0000 32693150.0000 12131095.0000 100330650.0000 106560667.0000 127092727.0000 124880100.0000 141426227.0000 9659120.0000 9147000.0000 14759300.0000 Sinapinic acid 19973.0000 36940.0000 8881.0000 20968.0000 46519.0000 41874.0000 53780.0000 46482.0000 25376.0000 51487.0000 26729.0000 7601.0000 52728.0000 19405.0000 34237.0000 30648.0000 26978.0000 56797.0000 42823.0000 42132.0000 13930.0000 48490.0000 14112.0000 24487.0000 Stearic acid 41122.0000 55066.0000 25022.0000 26744.0000 30261.0000 63538.0000 46973.0000 38146.0000 35925.0000 24892.0000 8552.0000 25057.0000 25135.0000 23587.0000 45772.0000 22713.0000 21914.0000 31791.0000 110134000.0000 249626034.0000 263226550.0000 308016714.0000 344467190.0000 287709182.0000 305560739.0000 280584280.0000 129805783.0000 123272333.0000 259469933.0000 323669857.0000 228316429.0000 241480733.0000 90463759.0000 270021778.0000 280307769.0000 254187100.0000 121591286.0000 207239000.0000 348294520.0000 121973276.0000 134507810.0000 175280880.0000 184873.0000 206086.0000 62612.0000 174802.0000 199830.0000 203970.0000 173625.0000 161498.0000 234711.0000 196528.0000 176103.0000 51725.0000 101786.0000 131835.0000 213826.0000 175314.0000 175854.0000 170382.0000 147470.0000 161082.0000 130498.0000 169904.0000 135040.0000 161769.0000 299970652.0000 359775000.0000 295331864.0000 236331696.0000 300055400.0000 336489600.0000 66394750.0000 64528233.0000 34388800.0000 108867864.0000 302484565.0000 328697571.0000 161040200.0000 24851440.0000 280949650.0000 232295286.0000 207917900.0000 124472714.0000 217241273.0000 126058400.0000 116168227.0000 259008440.0000 311230652.0000 23125900.0000 Succinic acid 20687522.0000 10258862.0000 14390100.0000 10658238.0000 14252905.0000 12909682.0000 10907435.0000 9783000.0000 18366739.0000 16093417.0000 17787900.0000 12938333.0000 18016095.0000 8657767.0000 14840862.0000 8601407.0000 10920231.0000 14095600.0000 9719714.0000 18394750.0000 10147800.0000 7831724.0000 20359762.0000 22336920.0000 22370.0000 43345.0000 5396.0000 20510.0000 107015.0000 74062.0000 59669.0000 100807.0000 33697.0000 41399.0000 22051.0000 4599.0000 117425.0000 18803.0000 58769.0000 42380.0000 31408.0000 75224.0000 25199.0000 42359.0000 34264.0000 84755.0000 15986.0000 26208.0000 10973696.0000 17753857.0000 10039773.0000 9907609.0000 8995000.0000 10460750.0000 14776821.0000 13300533.0000 7147400.0000 15460455.0000 11458217.0000 9448952.0000 14792850.0000 5301640.0000 15810500.0000 9357714.0000 14930300.0000 24102857.0000 19256864.0000 23790700.0000 19414773.0000 7410400.0000 8518087.0000 4636667.0000 Tartaric acid 23701.0000 51689.0000 10953.0000 52534.0000 88326.0000 63481.0000 71547.0000 66567.0000 47924.0000 74745.0000 73750.0000 9736.0000 79828.0000 22108.0000 65878.0000 35633.0000 26581.0000 89210.0000 46362.0000 39006.0000 56934.0000 95426.0000 26340.0000 65603.0000 Taurine 10681.0000 15209.0000 3474.0000 7917.0000 25082.0000 23231.0000 22482.0000 23474.0000 12265.0000 17464.0000 9065.0000 3570.0000 39327.0000 7061.0000 17343.0000 10608.0000 8981.0000 46480.0000 9188.0000 18506.0000 3952.0000 28717.0000 5265.0000 8976.0000 Threonine 7617.0000 4516.0000 4356.0000 5102.0000 3687.0000 5412.0000 3348.0000 4564.0000 7376.0000 4080.0000 2692.0000 2763.0000 4850.0000 4240.0000 4276.0000 3592.0000 2976.0000 4983.0000 59680.0000 173139.0000 5920.0000 30755.0000 74958.0000 69847.0000 65863.0000 76852.0000 170175.0000 117169.0000 39766.0000 3755.0000 173847.0000 30389.0000 153900.0000 52444.0000 53623.0000 160031.0000 33222.0000 109326.0000 10895.0000 186382.0000 70745.0000 44035.0000 Tricosanoic acid 126290.0000 101842.0000 9625.0000 27337.0000 102742.0000 126015.0000 200859.0000 49829.0000 122732.0000 37210.0000 74573.0000 9960.0000 96261.0000 17557.0000 138678.0000 26902.0000 209732.0000 204028.0000 84431.0000 164948.0000 10820.0000 188770.0000 29444.0000 99366.0000 Tryptophan 10394.0000 5921.0000 6954.0000 6714.0000 8007.0000 12392.0000 5442.0000 9643.0000 10312.0000 5099.0000 1867.0000 3231.0000 5942.0000 5449.0000 7602.0000 4519.0000 4609.0000 5897.0000 11809174.0000 14228724.0000 19597000.0000 12367381.0000 18264190.0000 13648636.0000 12263609.0000 11136000.0000 14866696.0000 13546958.0000 22658533.0000 14003286.0000 1479105.0000 11382700.0000 9129207.0000 8740000.0000 11178692.0000 1553060.0000 1479105.0000 1553060.0000 10651440.0000 5355379.0000 15104524.0000 1242448.0000 19112.0000 107789.0000 2135.0000 13515.0000 28293.0000 26361.0000 10673.0000 30848.0000 116485.0000 62669.0000 16402.0000 2135.0000 106894.0000 18271.0000 91660.0000 25231.0000 27489.0000 86421.0000 26868.0000 46406.0000 11074.0000 122586.0000 34514.0000 17360.0000 13285174.0000 16277619.0000 8836000.0000 7456652.0000 7863450.0000 10727900.0000 10376000.0000 7318100.0000 4032280.0000 9733636.0000 8699087.0000 10403714.0000 499030.0000 1996120.0000 11842700.0000 5318762.0000 499030.0000 475267.0000 453664.0000 499030.0000 453664.0000 399224.0000 433939.0000 1731900.0000 Tyramine 12881.0000 14561.0000 4617.0000 9552.0000 38300.0000 32499.0000 33541.0000 34440.0000 12252.0000 21755.0000 11990.0000 3638.0000 32329.0000 9610.0000 18049.0000 14811.0000 11589.0000 27081.0000 11814.0000 19919.0000 5279.0000 27014.0000 5853.0000 11222.0000 Tyrosine 11468.0000 730.0000 6652.0000 7028.0000 9455.0000 17769.0000 730.0000 12595.0000 14563.0000 9769.0000 6702.0000 3648.0000 8831.0000 8839.0000 18812.0000 8388.0000 8353.0000 15676.0000 45345913.0000 36010069.0000 125135500.0000 35470571.0000 44013667.0000 48250364.0000 33896391.0000 31148800.0000 60297217.0000 45901667.0000 48024400.0000 35608952.0000 82207429.0000 29641200.0000 35768793.0000 20175444.0000 31777308.0000 106959650.0000 43503238.0000 43675400.0000 28588840.0000 19866034.0000 46279762.0000 105704040.0000 107856.0000 231230.0000 16290.0000 87016.0000 114251.0000 112357.0000 101189.0000 130885.0000 234708.0000 188139.0000 100263.0000 10720.0000 198893.0000 85805.0000 240951.0000 121815.0000 120465.0000 193621.0000 103053.0000 157531.0000 88146.0000 265628.0000 157537.0000 110381.0000 111029826.0000 143303524.0000 83519000.0000 35387217.0000 95122800.0000 117947500.0000 25572107.0000 28399433.0000 22321240.0000 39392455.0000 85819522.0000 123986952.0000 74239600.0000 11748600.0000 83668000.0000 36393476.0000 99824700.0000 56559571.0000 107197091.0000 53879150.0000 48886045.0000 90753840.0000 136180435.0000 9949333.0000 Uracil 45342609.0000 19432034.0000 13370850.0000 19637381.0000 25598857.0000 25744500.0000 18712217.0000 18735920.0000 34168217.0000 31274917.0000 33080767.0000 21091429.0000 26917238.0000 14757367.0000 24746000.0000 11294407.0000 17479269.0000 18892650.0000 10986857.0000 26153500.0000 16067480.0000 9525310.0000 36326762.0000 31747960.0000 28759.0000 117007.0000 169552.0000 24816.0000 69834.0000 73130.0000 26894.0000 83960.0000 84544.0000 102128.0000 46449.0000 141507.0000 101568.0000 28626.0000 179470.0000 74989.0000 19787.0000 77092.0000 15100.0000 84878.0000 4658.0000 123448.0000 20585.0000 22469.0000 27915870.0000 27716905.0000 18155455.0000 17782652.0000 11987650.0000 16307900.0000 17066071.0000 22798800.0000 13556320.0000 22602773.0000 17126652.0000 14848952.0000 14420300.0000 8999160.0000 27994800.0000 15119905.0000 14815450.0000 22749571.0000 19738591.0000 21889350.0000 19106455.0000 14126440.0000 14323304.0000 7406200.0000 Urea 67388.0000 76162.0000 66680.0000 67657.0000 62386.0000 69127.0000 67487.0000 58667.0000 67457.0000 74091.0000 67781.0000 74259.0000 67532.0000 81514.0000 72788.0000 57395.0000 56380.0000 80598.0000 28132.0000 133902.0000 26984.0000 26056.0000 25937.0000 24791.0000 25794.0000 25592.0000 123479.0000 38695.0000 18312.0000 17711.0000 42620.0000 87663.0000 158184.0000 34800.0000 66039.0000 84301.0000 10289.0000 101784.0000 14941.0000 36624.0000 143784.0000 36758.0000 Uric acid 5845.0000 3682.0000 4621.0000 4824.0000 4615.0000 5956.0000 3930.0000 5579.0000 6061.0000 4723.0000 2408.0000 2617.0000 4810.0000 3159.0000 10253.0000 4495.0000 4364.0000 3963.0000 28703913.0000 32799897.0000 34385100.0000 24518667.0000 37466000.0000 33389364.0000 27965217.0000 24544280.0000 23386043.0000 22429625.0000 31322600.0000 33527905.0000 47566190.0000 27365400.0000 19237069.0000 18646370.0000 25739846.0000 40003850.0000 26493714.0000 28933800.0000 22709760.0000 16525793.0000 26005762.0000 22253800.0000 23571565.0000 28719048.0000 22499864.0000 19481565.0000 19395750.0000 24635200.0000 15872750.0000 14838100.0000 11342920.0000 19426682.0000 22144826.0000 21604381.0000 32989200.0000 9819480.0000 21008200.0000 19098190.0000 32444850.0000 34008571.0000 34846364.0000 35385600.0000 31331227.0000 17403520.0000 21595304.0000 9217067.0000 Valine 66.0000 535.0000 1231.0000 1010.0000 689.0000 922.0000 328.0000 588.0000 914.0000 467.0000 358.0000 397.0000 945.0000 583.0000 617.0000 853.0000 2216.0000 882.0000 115081.0000 270705.0000 7088.0000 57417.0000 156391.0000 131966.0000 125322.0000 154053.0000 264654.0000 203376.0000 60780.0000 5494.0000 210887.0000 47567.0000 271362.0000 78460.0000 136579.0000 213895.0000 93543.0000 184246.0000 49152.0000 285716.0000 173731.0000 93541.0000 Valproic Acid 7756.0000 9565.0000 3261.0000 7314.0000 14417.0000 12947.0000 14613.0000 14362.0000 7250.0000 9308.0000 7304.0000 3402.0000 18174.0000 5763.0000 11182.0000 7990.0000 5750.0000 19863.0000 5596.0000 10883.0000 4773.0000 13161.0000 5079.0000 7113.0000 Xanthine 26765913.0000 26088897.0000 46715950.0000 20724429.0000 29122143.0000 25707955.0000 22064565.0000 19323960.0000 25815174.0000 23330750.0000 31836667.0000 25835333.0000 48517762.0000 21697400.0000 19201172.0000 16566074.0000 20277192.0000 41876650.0000 25901571.0000 27895150.0000 19674360.0000 17756897.0000 29466143.0000 33992560.0000 53493.0000 122808.0000 26970.0000 63636.0000 117763.0000 113443.0000 108623.0000 118366.0000 109121.0000 131363.0000 95077.0000 8569.0000 129349.0000 74676.0000 139442.0000 111461.0000 42641.0000 113603.0000 61973.0000 86132.0000 28819.0000 160033.0000 66523.0000 95870.0000 50505391.0000 62810429.0000 41449318.0000 16547261.0000 27471250.0000 69137850.0000 14797286.0000 15372133.0000 10496400.0000 19090818.0000 49093130.0000 41559571.0000 40329450.0000 8121760.0000 35057350.0000 20527571.0000 39698500.0000 42638095.0000 47994455.0000 40688350.0000 34257682.0000 43591000.0000 76731391.0000 7823933.0000 Xanthurenic acid 19014.0000 24582.0000 9151.0000 17611.0000 38077.0000 37648.0000 42064.0000 38028.0000 18596.0000 32121.0000 23406.0000 7839.0000 34566.0000 14764.0000 29091.0000 21809.0000 20513.0000 39488.0000 25705.0000 33736.0000 10032.0000 39087.0000 10256.0000 20443.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2-Hydroxyglutaric acid 163312007 C20267 2-Hydroxyisobutyric acid 11671 2-Oxoadipic acid 71 C00322 3-Hydroxybutyric acid 441 C01089 4-Hydroxybenzeneacetic acid 127 C00642 Aceturic acid 10972 NA Adrenic acid 5497181 C16527 Alanine 5950 C00041 Arachidonic Acid 444899 C00219 Asparagine 6267 C00152 Aspartic acid 5960 C00049 Behenic acid 8215 C08281 beta-Alanine 239 C00099 Capric acid 2969 C01571 Cholesterol 5997 C00187 cis-Erucic acid 5281116 C08316 Citric acid 311 C00158 Creatinine 588 C00791 DHA 670 C00184 Elaidamide 5353370 Fumaric acid 444972 C00122 gamma-Aminobutyric acid 223130 C00334 Glutamic acid 33032 C00025 Glutamine 5961 C00064 Glyceric acid 439194 C00258 Glycerol 753 C00116 Glycine 750 C00037 Glycolic acid 757 C03547 Hypoxanthine 790 C00262 Iminodiacetate 8897 C19911 Indole-3-carboxylic acid 69867 C19837 Isoleucine 6306 C00407 Isopropylmalic acid 77 Lactic acid 61503 C00186 Leucine 6106 C00123 Lignoceric acid 11197 C08320 Linoleic acid 5280450 C01595 Lysine 5962 C00047 Malic acid 525 C03668 Methionine 6137 C00073 Methylmalonic acid 487 C02170 Myristic acid 11005 C06424 N-Acetylaspartic acid 65065 C01042 N-acetylglutamic acid 185 C00624 Niacinamide 936 C00153 Norvaline 439575 C01799 Oleamide 5283387 C19670 Oleic Acid 445639 C00712 Oxalic acid 971 C00209 Palmitic Acid 985 C00249 Palmitoleic acid 5312427 C08362 Pentadecanoic acid 13849 C16537 Phenaceturic acid 68144 C05598 Phenylacetic acid 999 C07086 Phenylalanine 6140 C00079 Phthalic acid 1017 C01606 Pipecolic acid 849 C00408 Proline 145742 C00148 Pyroglutamic acid 7405 C01879 Serine 5951 C00716 Sinapinic acid 637775 C00482 Stearic acid 5281 C01530 Succinic acid 1110 C00042 Tartaric acid 444305 C00898 Taurine 1123 C00245 Threonine 6288 C00188 Tricosanoic acid 17085 Tryptophan 6305 C00078 Tyramine 5610 C00483 Tyrosine 6057 C00082 Uracil 1174 C00106 Urea 2447 C00086 Uric acid 1175 C00366 Valine 6287 C00183 Valproic Acid 3121 C07185 Xanthine 1188 C00385 Xanthurenic acid 5699 C02470 METABOLITES_END #END